Thermodynamics of a classical ideal gas at arbitrary temperatures

OpenAIRE

Pal, Palash B.

2002-01-01

We propose a fundamental relation for a classical ideal gas that is valid at all temperatures with remarkable accuracy. All thermodynamical properties of classical ideal gases can be deduced from this relation at arbitrary temperature.

On the derivation of thermodynamic restrictions for materials with internal state variables

International Nuclear Information System (INIS)

Malmberg, T.

1987-07-01

Thermodynamic restrictions for the constitutive relations of an internal variable model are derived by evaluating the Clausius-Duhem entropy inequality with two different approaches. The classical Coleman-Noll argumentation of Rational Thermodynamics applied by Coleman and Gurtin to an internal variable model is summarized. This approach requires an arbitrary modulation of body forces and heat supply in the interior of the body which is subject to criticism. The second approach applied in this presentation is patterned after a concept of Mueller and Liu, originally developed within the context of a different entropy inequality and different classes of constitutive models. For the internal variable model the second approach requires only the modulation of initial values on the boundary of the body. In the course of the development of the second approach certain differences to the argumentation of Mueller and Liu become evident and are pointed out. Finally, the results demonstrate that the first and second approach give the same thermodynamic restrictions for the internal variable model. The derived residual entropy inequality requires further analysis. (orig.) [de

Thermodynamic-behaviour model for air-cooled screw chillers with a variable set-point condensing temperature

International Nuclear Information System (INIS)

Chan, K.T.; Yu, F.W.

2006-01-01

This paper presents a thermodynamic model to evaluate the coefficient of performance (COP) of an air-cooled screw chiller under various operating conditions. The model accounts for the real process phenomena, including the capacity control of screw compressors and variations in the heat-transfer coefficients of an evaporator and a condenser at part load. It also contains an algorithm to determine how the condenser fans are staged in response to a set-point condensing temperature. The model parameters are identified, based on the performance data of chiller specifications. The chiller model is validated using a wide range of operating data of an air-cooled screw chiller. The difference between the measured and modelled COPs is within ±10% for 86% of the data points. The chiller's COP can increase by up to 115% when the set-point condensing temperature is adjusted, based on any given outdoor temperature. Having identified the variation in the chiller's COP, a suitable strategy is proposed for air-cooled screw chillers to operate at maximum efficiency as much as possible when they have to satisfy a building's cooling-load

Analysis of the land surface heterogeneity and its impact on atmospheric variables and the aerodynamic and thermodynamic roughness lengths

NARCIS (Netherlands)

Ma, Y.M.; Menenti, M.; Feddes, R.A.; Wang, J.M.

2008-01-01

The land surface heterogeneity has a very significant impact on atmospheric variables (air temperature T-a, wind speed u, and humidity q), the aerodynamic roughness length z(0m), thermodynamic roughness length z(0h), and the excess resistance to heat transfer kB(-1). First, in this study the land

Thermodynamics of the CSCl-H{sub 2}O system at low temperatures

Energy Technology Data Exchange (ETDEWEB)

Monnin, C. [Centre National de la Recherche Scientifique (CNRS), 31 - Toulouse (France). Lab. de Geochimie; Dubois, M. [Centre National de la Recherche Scientifique (CNRS), 59 - Villeneuve d`Ascq (France). Lab. de Sedimentologie et Geodynamique

1999-05-01

The interpretation of fluid-inclusion data requires knowledge of phase diagrams at low (subfreezing) temperatures. From the example of the CsCl-H{sub 2}O system, we here investigate the possibility to build such diagrams from thermodynamic models of aqueous solutions parameterized at higher temperatures. Holmes and Mesmer (1983) have built a model for the thermodynamic properties of CsCl(aq) based on Pitzer`s equation fit to thermodynamic data mainly at temperatures above 0 C along with a few freezing-point-depression data down to -8 C. We show how this model can be used along with the published water-ice equilibrium constant and thermodynamic data at 25 C for Cs{sup +}(aq), Cl{sup -}(aq) and CsCl(s), to predict with confidence the ice-liquid-vapor (ILV) and the salt-liquid-vapor (SLV) curves down to the eutectic temperature for the CsCl-H{sub 2}O system. (orig.)

Thermodynamic Temperatures of High-Temperature Fixed Points: Uncertainties Due to Temperature Drop and Emissivity

Science.gov (United States)

Castro, P.; Machin, G.; Bloembergen, P.; Lowe, D.; Whittam, A.

2014-07-01

This study forms part of the European Metrology Research Programme project implementing the New Kelvin to assign thermodynamic temperatures to a selected set of high-temperature fixed points (HTFPs), Cu, Co-C, Pt-C, and Re-C. A realistic thermal model of these HTFPs, developed in finite volume software ANSYS FLUENT, was constructed to quantify the uncertainty associated with the temperature drop across the back wall of the cell. In addition, the widely applied software package, STEEP3 was used to investigate the influence of cell emissivity. The temperature drop, , relates to the temperature difference due to the net loss of heat from the aperture of the cavity between the back wall of the cavity, viewed by the thermometer, defining the radiance temperature, and the solid-liquid interface of the alloy, defining the transition temperature of the HTFP. The actual value of can be used either as a correction (with associated uncertainty) to thermodynamic temperature evaluations of HTFPs, or as an uncertainty contribution to the overall estimated uncertainty. In addition, the effect of a range of furnace temperature profiles on the temperature drop was calculated and found to be negligible for Cu, Co-C, and Pt-C and small only for Re-C. The effective isothermal emissivity is calculated over the wavelength range from 450 nm to 850 nm for different assumed values of surface emissivity. Even when furnace temperature profiles are taken into account, the estimated emissivities change only slightly from the effective isothermal emissivity of the bare cell. These emissivity calculations are used to estimate the uncertainty in the temperature assignment due to the uncertainty in the emissivity of the blackbody.

Evidence, temperature, and the laws of thermodynamics.

Science.gov (United States)

Vieland, Veronica J

2014-01-01

A primary purpose of statistical analysis in genetics is the measurement of the strength of evidence for or against hypotheses. As with any type of measurement, a properly calibrated measurement scale is necessary if we want to be able to meaningfully compare degrees of evidence across genetic data sets, across different types of genetic studies and/or across distinct experimental modalities. In previous papers in this journal and elsewhere, my colleagues and I have argued that geneticists ought to care about the scale on which statistical evidence is measured, and we have proposed the Kelvin temperature scale as a template for a context-independent measurement scale for statistical evidence. Moreover, we have claimed that, mathematically speaking, evidence and temperature may be one and the same thing. On first blush, this might seem absurd. Temperature is a property of systems following certain laws of nature (in particular, the 1st and 2nd Law of Thermodynamics) involving very physical quantities (e.g., energy) and processes (e.g., mechanical work). But what do the laws of thermodynamics have to do with statistical systems? Here I address that question. © 2014 S. Karger AG, Basel.

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

International Nuclear Information System (INIS)

Saha, Subhajit; Chakraborty, Subenoy

2012-01-01

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

Indirect Determination of the Thermodynamic Temperature of a Gold Fixed-Point Cell

Science.gov (United States)

Battuello, M.; Girard, F.; Florio, M.

2010-09-01

Since the value T 90(Au) was fixed on the ITS-90, some determinations of the thermodynamic temperature of the gold point have been performed which form, with other renormalized results of previous measurements by radiation thermometry, the basis for the current best estimates of ( T - T 90)Au = 39.9 mK as elaborated by the CCT-WG4. Such a value, even if consistent with the behavior of T - T 90 differences at lower temperatures, is quite influenced by the low values of T Au as determined with few radiometric measurements. At INRIM, an independent indirect determination of the thermodynamic temperature of gold was performed by means of a radiation thermometry approach. A fixed-point technique was used to realize approximated thermodynamic scales from the Zn point up to the Cu point. A Si-based standard radiation thermometer working at 900 nm and 950 nm was used. The low uncertainty presently associated to the thermodynamic temperature of fixed points and the accuracy of INRIM realizations, allowed scales with an uncertainty lower than 0.03 K in terms of the thermodynamic temperature to be realized. A fixed-point cell filled with gold, 99.999 % in purity, was measured, and its freezing temperature was determined by both interpolation and extrapolation. An average T Au = 1337.395 K was found with a combined standard uncertainty of 23 mK. Such a value is 25 mK higher than the presently available value as derived by the CCT-WG4 value of ( T - T 90)Au = 39.9 mK.

Bethe ansatz approach to quantum sine Gordon thermodynamics and finite temperature excitations

International Nuclear Information System (INIS)

Zotos, X.

1982-01-01

Takahashi and Suzuki (TS) using the Bethe ansatz method developed a formalism for the thermodynamics of the XYZ spin chain. Translating their formalism to the quantum sine-Gordon system, the thermodynamics and finite temperature elementary excitations are analyzed. Criteria imposed by TS on the allowed states simply correspond to the condition of normalizability of the wave functions. A set of coupled nonlinear integral equations for the thermodynamic equilibrium densities for particular values of the coupling constant in the attractive regime is derived. Solving numerically these Bethe ansatz equations, curves of the specific heat as a function of temperature are obtained. The soliton contribution peaks at a temperature of about 0.4 soliton masses shifting downward as the classical limit is approached. The weak coupling regime is analyzed by deriving the Bethe ansatz equations including the charged vacuum excitations. It is shown that they are necessary for a consistent presentation of the thermodynamics

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

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.

High-temperature of thermodynamic properties of sodium

Energy Technology Data Exchange (ETDEWEB)

Padilla, A. Jr.

1977-01-01

The set of high-temperature thermodynamic properties for sodium in the two-phase and subcooled-liquid regions which was previously recommended, has been modified to incorporate recent experimental data. In particular, replacement of the previously estimated critical constants with experimentally-determined values has resulted in substantial differences in the region of the critical point. The following thermodynamic properties were determined: pressure, density, enthalpy, entropy, internal energy, compressibility (adiabatic and isothermal), thermal expansion coefficient, thermal pressure coefficient, and specific heat (constant-pressure and constant-volume). These properties were determined for the saturated liquid, saturated vapor, subcooled liquid, and superheated vapor. The superheated vapor properties are limited to low pressures and more work is required to extend them to higher pressures. The supercritical region was not investigated.

Thermodynamic Temperature of High-Temperature Fixed Points Traceable to Blackbody Radiation and Synchrotron Radiation

Science.gov (United States)

Wähmer, M.; Anhalt, K.; Hollandt, J.; Klein, R.; Taubert, R. D.; Thornagel, R.; Ulm, G.; Gavrilov, V.; Grigoryeva, I.; Khlevnoy, B.; Sapritsky, V.

2017-10-01

Absolute spectral radiometry is currently the only established primary thermometric method for the temperature range above 1300 K. Up to now, the ongoing improvements of high-temperature fixed points and their formal implementation into an improved temperature scale with the mise en pratique for the definition of the kelvin, rely solely on single-wavelength absolute radiometry traceable to the cryogenic radiometer. Two alternative primary thermometric methods, yielding comparable or possibly even smaller uncertainties, have been proposed in the literature. They use ratios of irradiances to determine the thermodynamic temperature traceable to blackbody radiation and synchrotron radiation. At PTB, a project has been established in cooperation with VNIIOFI to use, for the first time, all three methods simultaneously for the determination of the phase transition temperatures of high-temperature fixed points. For this, a dedicated four-wavelengths ratio filter radiometer was developed. With all three thermometric methods performed independently and in parallel, we aim to compare the potential and practical limitations of all three methods, disclose possibly undetected systematic effects of each method and thereby confirm or improve the previous measurements traceable to the cryogenic radiometer. This will give further and independent confidence in the thermodynamic temperature determination of the high-temperature fixed point's phase transitions.

Thermodynamic and transport properties of gaseous tetrafluoromethane in chemical equilibrium

Science.gov (United States)

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

1973-01-01

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

Extended irreversible thermodynamics and non-equilibrium temperature

Directory of Open Access Journals (Sweden)

Casas-Vazquez, Jose'

2008-02-01

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

Thermodynamic and elastic properties of hexagonal ZnO under high temperature

International Nuclear Information System (INIS)

Wang, Feng; Wu, Jinghe; Xia, Chuanhui; Hu, Chenghua; Hu, Chunlian; Zhou, Ping; Shi, Lingna; Ji, Yanling; Zheng, Zhou; Liu, Xiankun

2014-01-01

Highlights: • A new method is applied to predict crystal constants of hexagonal crystal under high temperature. • Elastic properties of ZnO under high temperature are obtained exactly. • Thermodynamic properties of ZnO under high temperature are attained too. - Abstract: Studies on thermodynamic and elastic properties of hexagonal ZnO (wurtzite structure) under high temperature have not been reported usually from no matter experimental or theoretic methods. In this work, we study these properties by ab-initio together with quasi-harmonic Debye model. The value of C v tends to the Petit and Dulong limit at high temperature under any pressure, 49.73 J/mol K. And C v is greatly limited by pressure at intermediate temperatures. Nevertheless, the limit effect on C v caused by pressure is not obvious under low as well as very high temperature. The thermal expansions along a or c axis are almost same under temperature, which increase with temperature like a parabola. C 11 , C 33 , C 12 and C 13 decrease with temperature a little, which means that mechanics properties are weakened respectively

Computer codes used in the calculation of high-temperature thermodynamic properties of sodium

International Nuclear Information System (INIS)

Fink, J.K.

1979-12-01

Three computer codes - SODIPROP, NAVAPOR, and NASUPER - were written in order to calculate a self-consistent set of thermodynamic properties for saturated, subcooled, and superheated sodium. These calculations incorporate new critical parameters (temperature, pressure, and density) and recently derived single equations for enthalpy and vapor pressure. The following thermodynamic properties have been calculated in these codes: enthalpy, heat capacity, entropy, vapor pressure, heat of vaporization, density, volumetric thermal expansion coefficient, compressibility, and thermal pressure coefficient. In the code SODIPROP, these properties are calculated for saturated and subcooled liquid sodium. Thermodynamic properties of saturated sodium vapor are calculated in the code NAVAPOR. The code NASUPER calculates thermodynamic properties for super-heated sodium vapor only for low (< 1644 K) temperatures. No calculations were made for the supercritical region

Thermodynamic properties and low-temperature X-ray diffraction of vitamin B{sub 3}

Energy Technology Data Exchange (ETDEWEB)

Knyazev, A.V., E-mail: knyazevav@gmail.com; Smirnova, N.N.; Shipilova, A.S.; Shushunov, A.N.; Gusarova, E.V; Knyazeva, S.S.

2015-03-20

Highlights: • Temperature dependence of heat capacity of vitamin B{sub 3} has been measured by precision adiabatic vacuum calorimetry. • The thermodynamic functions of the vitamin B{sub 3} have been determined for the range from T → 0 to 346 K. • The thermodynamic analysis of reactions involving nicotinic acid was made. • The low-temperature X-ray diffraction was used for the determination of coefficients of thermal expansion. - Abstract: In the present work temperature dependence of heat capacity of vitamin B{sub 3} (nicotinic acid) has been measured for the first time in the range from 5 to 346 K by precision adiabatic vacuum calorimetry. Based on the experimental data, the thermodynamic functions of the vitamin B{sub 3}, namely, the heat capacity, enthalpy H°(T) – H°(0), entropy S°(T) – S°(0) and Gibbs function G°(T) – H°(0) have been determined for the range from T → 0 to 343 K. The value of the fractal dimension D in the function of multifractal generalization of Debye’s theory of the heat capacity of solids was estimated and the character of heterodynamics of structure was detected. The thermodynamic parameters Δ{sub f}S°, Δ{sub f}G° at T = 298.15 K and p = 0.1 MPa have been calculated. The thermodynamic analysis of reactions involving nicotinic acid was made. The low-temperature X-ray diffraction was used for the determination of coefficients of thermal expansion.

Thermodynamics of low-temperature phyllosilicates: from a macroscopic perspective towards achieving atomistic simulation

International Nuclear Information System (INIS)

Dubacq, B.

2008-12-01

Phyllosilicates are important minerals in metamorphic petrology as well as in waste storage sites where clays are extensively used. Despite this fact, there is no thermodynamic model allowing to describe and to predict properly the behaviour of clay minerals (for example variation of volume with dehydration) and their phase relations with other minerals in metamorphic conditions. Inversely, the thermodynamic models of phengites are well constrained at high pressure and temperature but do not allow accurate thermo-barometric estimations at temperatures less than about 350 C. In this study, we propose two new thermodynamic models for smectites, illites, mixed-layers illites / smectites and phengites. With these models, it is possible to predict the composition of stable clays at low temperature and to estimate the pressure and temperature of crystallisation of di-octahedral aluminous phyllosilicates. These models take into consideration the hydration state of clay minerals as a function of pressure, temperature and water activity. The thermodynamic properties of solid solutions and hydrated mica-like end-members have been estimated in order to reproduce experimental results of i) clay dehydration, ii) nature of stable phases, iii) calorimetric measurements, as well as known (or estimated with independent methods) pressure-temperature conditions of crystallization of phyllosilicates analyses, from diagenesis conditions to ultra - high - pressure / temperature conditions. Phase diagrams have been computed with these models in simple systems. Conditions of crystallization of phyllosilicates have been estimated on many samples, including electron microprobe compositional maps. We investigated several approaches to estimate thermodynamic properties of minerals. All these methods revealed to be insufficiently accurate to estimate standard enthalpy of formation; calculated enthalpies of formation can not be directly used for thermo-barometric estimations. However, we

Thermodynamic behaviour of tellurium at high temperatures

International Nuclear Information System (INIS)

Garisto, F.

1992-09-01

Thermodynamic calculations are used to determine the chemical speciation of tellurium in the primary heat transport system under postulated reactor accident conditions. The speciation of tellurium is determined for various values of the temperature, oxygen partial pressure, tellurium concentration and Cs/Te ratio. The effects of the Zircaloy cladding and/or cesium on tellurium speciation and volatility are of particular interest in this report. (Author) (37 refs., 14 figs., 4 tabs.)

High-temperature experimental and thermodynamic modelling research on the pyrometallurgical processing of copper

Science.gov (United States)

Hidayat, Taufiq; Shishin, Denis; Decterov, Sergei A.; Hayes, Peter C.; Jak, Evgueni

2017-01-01

Uncertainty in the metal price and competition between producers mean that the daily operation of a smelter needs to target high recovery of valuable elements at low operating cost. Options for the improvement of the plant operation can be examined and decision making can be informed based on accurate information from laboratory experimentation coupled with predictions using advanced thermodynamic models. Integrated high-temperature experimental and thermodynamic modelling research on phase equilibria and thermodynamics of copper-containing systems have been undertaken at the Pyrometallurgy Innovation Centre (PYROSEARCH). The experimental phase equilibria studies involve high-temperature equilibration, rapid quenching and direct measurement of phase compositions using electron probe X-ray microanalysis (EPMA). The thermodynamic modelling deals with the development of accurate thermodynamic database built through critical evaluation of experimental data, selection of solution models, and optimization of models parameters. The database covers the Al-Ca-Cu-Fe-Mg-O-S-Si chemical system. The gas, slag, matte, liquid and solid metal phases, spinel solid solution as well as numerous solid oxide and sulphide phases are included. The database works within the FactSage software environment. Examples of phase equilibria data and thermodynamic models of selected systems, as well as possible implementation of the research outcomes to selected copper making processes are presented.

TRLFS Study of U(VI) at Variable Temperatures

International Nuclear Information System (INIS)

Lee, J. Y.; Yun, J. I.

2010-01-01

Uranium is one of the most important radionuclides in a nuclear waste repository. Transport phenomena for radioactive elements are of crucial importance for a safe geological disposal of nuclear waste. Chemical speciation and solubility are used for understanding and predicting radionuclides migration in aquifer system. Decay heat released from high level waste and geothermal temperature gradient cause higher temperature above room temperature in deep geologic formation. However, most chemical thermodynamic data are obtained at room temperature until recently. There are few studies at temperatures above 25 .deg. C. Therefore, a better understanding of thermodynamic properties at high temperatures is necessary for reliable safety assessment of high level waste repositories. Time-resolved laser-induced fluorescence spectroscopy (TRLFS) has been applied as a sensitive and selective method for chemical speciation. The fluorescence spectrum is unique for each chemical species. The duration time of fluorescence emission is used as another indicator for decomposition of overlapped fluorescence spectrum. The objective of this study is to investigate fluorescence properties of uranium hydrolysis species at elevated temperature using TRLFS

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

Thermodynamic Studies of the Phase Relationships of Nonstoichiometric Cerium Oxides at Higher Temperatures

DEFF Research Database (Denmark)

Sørensen, Ole Toft

1976-01-01

Partial molar thermodynamic quantities for oxygen in nonstoichiometric cerium oxides were determined by thermogravimetric analysis in CO/CO2 mixtures in the temperature range 900–1400°C. Under these conditions compositions within the range 2.00 greater-or-equal, slanted O/M greater-or-equal, slan......Partial molar thermodynamic quantities for oxygen in nonstoichiometric cerium oxides were determined by thermogravimetric analysis in CO/CO2 mixtures in the temperature range 900–1400°C. Under these conditions compositions within the range 2.00 greater-or-equal, slanted O/M greater...

External temperature and pressure effects on thermodynamic properties and mechanical stability of yttrium chalcogenides YX (X=S, Se and Te)

Energy Technology Data Exchange (ETDEWEB)

Seddik, T. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Bouhemadou, A.; Guechi, N. [Laboratory for Developing New Materials and their Characterization, Department of Physics, Faculty of Science, University of Setif, 19000 Setif (Algeria); Sayede, A. [Université Lille Nord de France, F-59000 Lille (France); Université-Artois, UCCS, F-62300 Lens (France); CNRS, UMR 8181, F-59650 Villeneuve d’Ascq (France); Varshney, D. [Materials Science Laboratory, School of Physics, Vigyan Bhavan, Devi Ahilya University, Khandwa Road Campus, Indore 452001, Madhya Pradesh (India); Al-Douri, Y. [Institute of Nono Electronic Engineering, University Malaysia Perlis, 01000 Kangar, Perlis (Malaysia); Reshak, A.H. [Institute of Complex Systems, FFPW, CENAKVA, University of South Bohemia in CB, Nove Hrady 37333 (Czech Republic); Center of Excellence Geopolymer and Green Technology, School of Material Engineering, University Malaysia Perlis, 01007 Kangar, Perlis (Malaysia); Bin-Omran, S. [Department of Physics and Astronomy, Faculty of Science, King Saud University, PO Box 2455, Riyadh 11451 (Saudi Arabia)

2013-11-01

The full potential linearized augmented plane wave method within the framework of density functional theory is employed to investigate the structural, thermodynamic and elastic properties of the yttrium chalcogenides (YX: X=S, Se, and Te) in their low-pressure phase (Fm3{sup ¯}m) and high-pressure phase (Pm3{sup ¯}m). The exchange-correlation potential is treated with the generalized gradient approximation of Perdew–Burke–Ernzerhof (GGA-PBE). Temperature dependence of the volume and both adiabatic and isothermal bulk moduli is predicted for a temperature range from 0to1200K for the both phases of the herein considered materials. Furthermore, we have analyzed the thermodynamic properties such as the heat capacities, C{sub V} and C{sub P}, thermal expansion, α, and Debye temperature, Θ{sub D,} under variable pressure and temperature. We have calculated the isothermal elastic constants C{sub ij}{sup T} of the YX monochalcogenides in both NaCl-B1 and CsCl-B2 phases at zero pressure and a temperature range 0−1200K. The results show that rare earth yttrium monochalcogenides are mechanically stable at high temperature. The elastic anisotropy of all studied materials in the two phases has been studied using three different methods.

Chemical and Thermodynamic Properties at High Temperatures: A Symposium

Science.gov (United States)

Walker, Raymond F.

1961-01-01

This book contains the program and all available abstracts of the 90' invited and contributed papers to be presented at the TUPAC Symposium on Chemical and Thermodynamic Properties at High Temperatures. The Symposium will be held in conjunction with the XVIIIth IUPAC Congress, Montreal, August 6 - 12, 1961. It has been organized, by the Subcommissions on Condensed States and on Gaseous States of the Commission on High Temperatures and Refractories and by the Subcommission on Experimental Thermodynamics of the Commission on Chemical Thermodynamics, acting in conjunction with the Organizing Committee of the IUPAC Congress. All inquiries concerning participation In the Symposium should be directed to: Secretary, XVIIIth International Congress of Pure and Applied Chemistry, National Research Council, Ottawa, 'Canada. Owing to the limited time and facilities available for the preparation and printing of the book, it has not been possible to refer the proofs of the abstracts to the authors for checking. Furthermore, it has not been possible to subject the manuscripts to a very thorough editorial examination. Some obvious errors in the manuscripts have been corrected; other errors undoubtedly have been introduced. Figures have been redrawn only when such a step was essential for reproduction purposes. Sincere apologies are offered to authors and readers for any errors which remain; however, in the circumstances neither the IUPAC Commissions who organized the Symposium, nor the U. S. Government Agencies who assisted in the preparation of this book can accept responsibility for the errors.

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.

A comparison of irradiance responsivity and thermodynamic temperature measurement between PTB and NIM

International Nuclear Information System (INIS)

Lu, X.; Yuan, Z.; Anhalt, K.; Taubert, R. D.

2013-01-01

This paper describes a comparison between PTB and NIM in the field of absolute spectral-band radiometry and thermodynamic temperature measurement. For the comparison a NIM made interference filter radiometer with a centre wavelength of 633 nm was taken to PTB. The filter radiometer was calibrated at NIM and PTB with respect to spectral irradiance responsivity. For the integral value in the band-pass range an agreement of 0.1% was observed in both calibrations. In a next step, the 633 nm filter radiometer was used to measure the temperature of a high-temperature blackbody in comparison to an 800 nm filter radiometer of PTB in the temperature range between 1400 K and 2750 K. The thermodynamic temperature measured by the two filter radiometers agreed to within 0.2 K to 0.5 K with an estimated measurement uncertainty ranging between 0.1 K and 0.4 K (k=1)

Heat exchangers for high-temperature thermodynamic cycles

International Nuclear Information System (INIS)

Fraas, A.P.

1975-01-01

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

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

International Nuclear Information System (INIS)

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

2015-01-01

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

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

NARCIS (Netherlands)

Jongschaap, R.J.J.

2001-01-01

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

Low-temperature behaviour of an ideal Bose gas and some forbidden thermodynamic cycles

International Nuclear Information System (INIS)

Chen Jincan; Lin Bihong

2003-01-01

Based on the equation of state of an ideal Bose gas, the heat capacities at constant volume and constant pressure of the Bose system are derived and used to analyse the low-temperature behaviour of the Bose system. It is expounded that some important thermodynamic processes such as a constant pressure and an adiabatic process cannot be carried out from the region of T > T c to that of T c , where T c is the critical temperature of Bose-Einstein condensation of the Bose system. Consequently, some typical thermodynamic cycles such as the Carnot cycle, Brayton cycle, Otto cycle, Ericsson cycle, Diesel cycle and Atkinson cycle cannot be operated across the critical temperature T c of Bose-Einstein condensation of an ideal Bose gas

Contribution of thermodynamics in the understanding of the physico-chemical behaviour of fuels at high temperature

International Nuclear Information System (INIS)

Gueneau, C.; Chatain, S.; Gosse, S.; Dumas, J.C.; Defoort, F.

2006-01-01

The thermodynamic approach for studying the physico-chemical behaviour of nuclear fuels at high temperature is presented. For instance is shown how the thermodynamic study of the uranium-oxygen-zirconium-iron system has contributed to improve the understanding of the scenario considered in studies on serious accidents for PWR reactors. Concerning the fuels of the future high temperature reactors, has been developed a thermodynamic data base 'fuelbase' (U-Pu-O-C-N-Si-Zr-Ti-Mo-Cr) using the Calphad method in parallel with experimental studies. In the framework of the studies on high temperature reactors, experimental works on the study of the interaction between the uranium dioxide and graphite are presented. This interaction leads to the formation of gaseous CO and CO 2 which can potentially be prejudicial to the thermomechanical resistance of the fuel in reactor. In this framework, the thermodynamic properties of the uranium-oxygen-carbon system are studied. (O.M.)

Thermodynamic approach to the inelastic state variable theories

International Nuclear Information System (INIS)

Dashner, P.A.

1978-06-01

A continuum model is proposed as a theoretical foundation for the inelastic state variable theory of Hart. The model is based on the existence of a free energy function and the assumption that a strained material element recalls two other local configurations which are, in some specified manner, descriptive of prior deformation. A precise formulation of these material hypotheses within the classical thermodynamical framework leads to the recovery of a generalized elastic law and the specification of evolutionary laws for the remembered configurations which are frame invariant and formally valid for finite strains. Moreover, the precise structure of Hart's theory is recovered when strains are assumed to be small

Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2

Science.gov (United States)

Bhamu, K. C.

2018-05-01

Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (θD), Grüneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grüneisen parameter instead of temperature. Debye temperature and Grüneisen parameter both remains almost constant for the temperature range (0-300K) while Grüneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.

Thermodynamic dislocation theory of high-temperature deformation in aluminum and steel

Energy Technology Data Exchange (ETDEWEB)

Le, K. C. [Ruhr-Univ Bochum, Bochum (Germany). Lehrstuhl fur Mechanik-Materialtheorie; Tran, T. M. [Ruhr-Univ Bochum, Bochum (Germany). Lehrstuhl fur Mechanik-Materialtheorie; Langer, J. S. [Univ. of California, Santa Barbara, CA (United States). Dept. of Physics

2017-07-12

The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent of strain rate and temperature, we are able to fit experimental stress-strain curves for three different strain rates and three different temperatures for each of these two materials. Here, our theoretical curves include yielding transitions at zero strain in agreement with experiment. We find that thermal softening effects are important even at the lowest temperatures and smallest strain rates.

Impact of Subsurface Temperature Variability on Meteorological Variability: An AGCM Study

Science.gov (United States)

Mahanama, S. P.; Koster, R. D.; Liu, P.

2006-05-01

Anomalous atmospheric conditions can lead to surface temperature anomalies, which in turn can lead to temperature anomalies deep in the soil. The deep soil temperature (and the associated ground heat content) has significant memory -- the dissipation of a temperature anomaly may take weeks to months -- and thus deep soil temperature may contribute to the low frequency variability of energy and water variables elsewhere in the system. The memory may even provide some skill to subseasonal and seasonal forecasts. This study uses two long-term AGCM experiments to isolate the contribution of deep soil temperature variability to variability elsewhere in the climate system. The first experiment consists of a standard ensemble of AMIP-type simulations, simulations in which the deep soil temperature variable is allowed to interact with the rest of the system. In the second experiment, the coupling of the deep soil temperature to the rest of the climate system is disabled -- at each grid cell, the local climatological seasonal cycle of deep soil temperature (as determined from the first experiment) is prescribed. By comparing the variability of various atmospheric quantities as generated in the two experiments, we isolate the contribution of interactive deep soil temperature to that variability. The results show that interactive deep soil temperature contributes significantly to surface temperature variability. Interactive deep soil temperature, however, reduces the variability of the hydrological cycle (evaporation and precipitation), largely because it allows for a negative feedback between evaporation and temperature.

Temperature Effect on Micelle Formation: Molecular Thermodynamic Model Revisited.

Science.gov (United States)

Khoshnood, Atefeh; Lukanov, Boris; Firoozabadi, Abbas

2016-03-08

Temperature affects the aggregation of macromolecules such as surfactants, polymers, and proteins in aqueous solutions. The effect on the critical micelle concentration (CMC) is often nonmonotonic. In this work, the effect of temperature on the micellization of ionic and nonionic surfactants in aqueous solutions is studied using a molecular thermodynamic model. Previous studies based on this technique have predicted monotonic behavior for ionic surfactants. Our investigation shows that the choice of tail transfer energy to describe the hydrophobic effect between the surfactant tails and the polar solvent molecules plays a key role in the predicted CMC. We modify the tail transfer energy by taking into account the effect of the surfactant head on the neighboring methylene group. The modification improves the description of the CMC and the predicted micellar size for aqueous solutions of sodium n-alkyl sulfate, dodecyl trimethylammonium bromide (DTAB), and n-alkyl polyoxyethylene. The new tail transfer energy describes the nonmonotonic behavior of CMC versus temperature. In the DTAB-water system, we redefine the head size by including the methylene group, next to the nitrogen, in the head. The change in the head size along with our modified tail transfer energy improves the CMC and aggregation size prediction significantly. Tail transfer is a dominant energy contribution in micellar and microemulsion systems. It also promotes the adsorption of surfactants at fluid-fluid interfaces and affects the formation of adsorbed layer at fluid-solid interfaces. Our proposed modifications have direct applications in the thermodynamic modeling of the effect of temperature on molecular aggregation, both in the bulk and at the interfaces.

Thermodynamic functions and vapor pressures of uranium and plutonium oxides at high temperatures

International Nuclear Information System (INIS)

Green, D.W.; Reedy, G.T.; Leibowitz, L.

1977-01-01

The total energy release in a hypothetical reactor accident is sensitive to the total vapor pressure of the fuel. Thermodynamic functions which are accurate at high temperature can be calculated with the methods of statistical mechanics provided that needed spectroscopic data are available. This method of obtaining high-temperature vapor pressures should be greatly superior to the extrapolation of experimental vapor pressure measurements beyond the temperature range studied. Spectroscopic data needed for these calculations are obtained from infrared spectroscopy of matrix-isolated uranium and plutonium oxides. These data allow the assignments of the observed spectra to specific molecular species as well as the calculation of anharmonicities for monoxides, bond angles for dioxides, and molecular geometries for trioxides. These data are then employed, in combination with data on rotational and electronic molecular energy levels, to determine thermodynamic functions that are suitable for the calculation of high-temperature vapor pressures

Hadronic thermodynamics: Is there a limiting temperature

International Nuclear Information System (INIS)

Olive, K.E.

1984-01-01

The hadron mass spectrum continues to be a topic of theoretical interest and will remain so until there can be some experimental verification in future heavy ion collisions. There are a variety of models such as the bootstrap, dual, bag etc., which all predict an exponentially rising density of states approx.= exp(m/T 0 ), T 0 approx.=160 MeV. Once one assumes an exponential mass spectrum, one generally finds singularities in thermodynamic quantities and hence possibly a limiting temperature at T 0 . In this talk, I point out some possible ways out of this dilemma. (orig./HSI)

Noise temperature measurements for the determination of the thermodynamic temperature of the melting point of palladium

Energy Technology Data Exchange (ETDEWEB)

Edler, F.; Kuhne, M.; Tegeler, E. [Bundesanstalt Physikalisch-Technische, Berlin (Germany)

2004-02-01

The thermodynamic temperature of the melting point of palladium in air was measured by noise thermometric methods. The temperature measurement was based on noise comparison using a two-channel arrangement to eliminate parasitic noises of electronic components by cross correlation. Three miniature fixed points filled with pure palladium (purity: {approx}99.99%, mass: {approx}90 g) were used to realize the melts of the fixed point metal. The measured melting temperature of palladium in air amounted to 1552.95 deg C {+-} 0.21 K (k = 2). This temperature is 0.45 K lower than the temperature of the melting point of palladium measured by radiation thermometry. (authors)

Thermodynamics of aqueous association and ionization reactions at high temperatures and pressures

International Nuclear Information System (INIS)

Mesmer, R.E.; Marshall, W.L.; Palmer, D.A.; Simonson, J.M.; Holmes, H.F.

1990-01-01

Electrochemical and electrical conductance cells have been widely used at ORNL over the years to quantitatively determine equilibrium constants and their salt effects to 300 degree C (EMF) and 800 degree C (conductance) at the saturation pressure of water (EMF) and to 4000 bars (conductance). The most precise results to 300 degree C for a large number of weak acids and bases show very similar thermodynamic behavior, which will be discussed. Results for the ionization constants of water, NH 3 (aq), HCl(aq), and NaCl(aq), which extend well into the supercritical region, have been fitted in terms of a model with dependence on density and temperature. The entropy change is found to be the driving force for ion-association reactions and this tendency increases (as it must) with increasing temperature at a given pressure. Also, the variation of all thermodynamic properties is greatly reduced at high fixed densities. Considerable variation occurs at low densities. From this analysis, the dependence of the reaction thermodynamics on the P-V-T properties of the solvent is shown, and the implication of large changes in hydration for solutes in the vicinity of the critical temperature will be discussed. Finally, the change in the molar compressibility coefficient for all reactions in water is shown to be the same and dependent only on the compressibility of the solvent

Thermodynamic consistency of viscoplastic material models involving external variable rates in the evolution equations for the internal variables

International Nuclear Information System (INIS)

Malmberg, T.

1993-09-01

The objective of this study is to derive and investigate thermodynamic restrictions for a particular class of internal variable models. Their evolution equations consist of two contributions: the usual irreversible part, depending only on the present state, and a reversible but path dependent part, linear in the rates of the external variables (evolution equations of ''mixed type''). In the first instance the thermodynamic analysis is based on the classical Clausius-Duhem entropy inequality and the Coleman-Noll argument. The analysis is restricted to infinitesimal strains and rotations. The results are specialized and transferred to a general class of elastic-viscoplastic material models. Subsequently, they are applied to several viscoplastic models of ''mixed type'', proposed or discussed in the literature (Robinson et al., Krempl et al., Freed et al.), and it is shown that some of these models are thermodynamically inconsistent. The study is closed with the evaluation of the extended Clausius-Duhem entropy inequality (concept of Mueller) where the entropy flux is governed by an assumed constitutive equation in its own right; also the constraining balance equations are explicitly accounted for by the method of Lagrange multipliers (Liu's approach). This analysis is done for a viscoplastic material model with evolution equations of the ''mixed type''. It is shown that this approach is much more involved than the evaluation of the classical Clausius-Duhem entropy inequality with the Coleman-Noll argument. (orig.) [de

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

A Case for Including Atmospheric Thermodynamic Variables in Wind Turbine Fatigue Loading Parameter Identification

International Nuclear Information System (INIS)

Kelley, Neil D.

1999-01-01

This paper makes the case for establishing efficient predictor variables for atmospheric thermodynamics that can be used to statistically correlate the fatigue accumulation seen on wind turbines. Recently, two approaches to this issue have been reported. One uses multiple linear-regression analysis to establish the relative causality between a number of predictors related to the turbulent inflow and turbine loads. The other approach, using many of the same predictors, applies the technique of principal component analysis. An examination of the ensemble of predictor variables revealed that they were all kinematic in nature; i.e., they were only related to the description of the velocity field. Boundary-layer turbulence dynamics depends upon a description of the thermal field and its interaction with the velocity distribution. We used a series of measurements taken within a multi-row wind farm to demonstrate the need to include atmospheric thermodynamic variables as well as velocity-related ones in the search for efficient turbulence loading predictors in various turbine-operating environments. Our results show that a combination of vertical stability and hub-height mean shearing stress variables meet this need over a period of 10 minutes

The thermodynamic meaning of local temperature of nonequilibrium open quantum systems

OpenAIRE

Ye, LvZhou; Zheng, Xiao; Yan, YiJing; Di Ventra, Massimiliano

2016-01-01

Measuring the local temperature of nanoscale systems out of equilibrium has emerged as a new tool to study local heating effects and other local thermal properties of systems driven by external fields. Although various experimental protocols and theoretical definitions have been proposed to determine the local temperature, the thermodynamic meaning of the measured or defined quantities remains unclear. By performing analytical and numerical analysis of bias-driven quantum dot systems both in ...

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.

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

Magnetization process and low-temperature thermodynamics of a spin-1/2 Heisenberg octahedral chain

Science.gov (United States)

Strečka, Jozef; Richter, Johannes; Derzhko, Oleg; Verkholyak, Taras; Karľová, Katarína

2018-05-01

Low-temperature magnetization curves and thermodynamics of a spin-1/2 Heisenberg octahedral chain with the intra-plaquette and monomer-plaquette interactions are examined within a two-component lattice-gas model of hard-core monomers, which takes into account all low-lying energy modes in a highly frustrated parameter space involving the monomer-tetramer, localized many-magnon and fully polarized ground states. It is shown that the developed lattice-gas model satisfactorily describes all pronounced features of the low-temperature magnetization process and the magneto-thermodynamics such as abrupt changes of the isothermal magnetization curves, a double-peak structure of the specific heat or a giant magnetocaloric effect.

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

How to make thermodynamic perturbation theory to be suitable for low temperature?

Science.gov (United States)

Zhou, Shiqi

2009-02-07

Low temperature unsuitability is a problem plaguing thermodynamic perturbation theory (TPT) for years. Present investigation indicates that the low temperature predicament can be overcome by employing as reference system a nonhard sphere potential which incorporates one part of the attractive ingredient in a potential function of interest. In combination with a recently proposed TPT [S. Zhou, J. Chem. Phys. 125, 144518 (2006)] based on a lambda expansion (lambda being coupling parameter), the new perturbation strategy is employed to predict for several model potentials. It is shown that the new perturbation strategy can very accurately predict various thermodynamic properties even if the potential range is extremely short and hence the temperature of interest is very low and current theoretical formalisms seriously deteriorate or critically fail to predict even the existence of the critical point. Extensive comparison with existing liquid state theories and available computer simulation data discloses a superiority of the present TPT to two Ornstein-Zernike-type integral equation theories, i.e., hierarchical reference theory and self-consistent Ornstein-Zernike approximation.

Thermodynamic Studies at Higher Temperatures of the Phase Relationships of Substoichiometric Plutonium and Uranium/Plutonium Oxides

DEFF Research Database (Denmark)

Sørensen, Ole Toft

1976-01-01

Partial molar thermodynamic quantities for oxygen in non-stoichiometric Pu and U/Pu oxides were determined by thermogravimetric measurements in CO/CO2 mixtures in the temperature range 900-1450°C. A detailed analysis of the thermodynamic data obtained, as well as data previously published...

Thermodynamics of protonation of amines in aqueous solutions at elevated temperatures

Energy Technology Data Exchange (ETDEWEB)

Kim, Inna, E-mail: inna.kim@sintef.no [SINTEF Materials and Chemistry, N-7465 Trondheim (Norway); Jens, Christian M., E-mail: chrijens@stud.ntnu.no [Norwegian University of Science and Technology (NTNU), N-7491 Trondheim (Norway); Grimstvedt, Andreas, E-mail: andreas.grimstvedt@sintef.no [SINTEF Materials and Chemistry, N-7465 Trondheim (Norway); Svendsen, Hallvard F., E-mail: hallvard.svendsen@chemeng.ntnu.no [Norwegian University of Science and Technology (NTNU), N-7491 Trondheim (Norway)

2011-11-15

Highlights: > Effect of ionic strength and temperature on dissociation constants of amines. > Effect of ionic strength of temperature on enthalpies of protonation of amines. > Measured dissociation constants and enthalpies of protonation used for fitting. > Coefficients for thermodynamically consistent correlations given for 5 amines. - Abstract: The dissociation constants, pK{sub a}, of monoethanolamine (MEA), N-methyldiethanolamine (MDEA), 2-amino-2-methyl-1-propanol (AMP), 2(2-aminoethyl)etanolamine (AEEA), and piperazine (Pz) were measured by potentiometric titration over the temperature range (298.15 to 363.15) K. Enthalpies of protonation, {Delta}H{sub p}, were measured calorimetrically at temperatures from (298.15 to 393.15) K for MEA, MDEA, and AMP, and from (298.15 to 353.15) K for AEEA and Pz. In addition, the effect of the ionic strength of the solutions on the protonation of MDEA was studied using NaCl as background salt {l_brace}(0 to 5.5) mol/kg-H{sub 2}O){r_brace}. Correlations for the reaction equilibrium constants for proton dissociation are proposed for the studied amines based on the experimental data from literature and from this work. Both experimental enthalpy data and dissociation constants were used for fitting. The results from this work may be used for thermodynamic modeling of CO{sub 2} capture processes using amines.

Comparison of the thermodynamic properties and high temperature chemical behavior of lanthanide and actinide oxides

International Nuclear Information System (INIS)

Ackermann, R.J.; Rauh, E.G.

1977-01-01

The thermodynamic properties of the lanthanide and actinide oxides are examined, compared, and associated with a variety of high temperature chemical behavior. Trends are cited resulting from a number of thermodynamic and spectroscopic correlations involving solid phases, species in aqueous solution, and molecules and ions in the vapor phase. Inadequacies in the data and alternative approaches are discussed. The characterization of nonstoichiometric phases stable only at high temperatures is related to a network of heterogeneous and homogeneous equilibria. A broad perspective of similarity and dissimilarity between the lanthanides and actinides emerges and forms the basis of the projected needs for further study

Thermodynamics of partially confined Fermi gases at low temperature

International Nuclear Information System (INIS)

Toms, David J

2004-01-01

We examine the behaviour of non-interacting Fermi gases at low temperature. If there is a confining potential present the thermodynamic behaviour is altered from the familiar results for the unconfined gas. The role of de Haas-van Alphen type oscillations that are a consequence of the confining potential is considered. Attention is concentrated on the behaviour of the chemical potential and the specific heat. Results are compared and contrasted with those for an unconfined and a totally confined gas

Analysis of the temperature effect on the water retention capacity of soil using a thermodynamic approach

International Nuclear Information System (INIS)

Jacinto, A.C.; Ledesma, A.; Villar, M.V.

2012-01-01

between the amount adsorbed and the pressure is called the adsorption isotherm. In Geotechnical Engineering, the adsorption isotherm for a given soil is called the soil water retention curve (SWRC). SWRC defines the constitutive relationship between the amount of water in the soil and the suction. The amount of water in the soil can be given in terms of gravimetric water content , volumetric water content , or degree of saturation . To be useful in modeling processes, a continuous representation of the SWRC is required and needs to be incorporated in predictive models. Several mathematical equations have been proposed to describe the soil water retention curve. Many expressions proposed for the SWRC are mainly based on pore size distribution functions in combination with the concept of bundle of capillaries, in which the pores are represented by cylindrical capillary tubes obeying the Young and Laplace equation. The capillary model, although very intuitive, gives only a first approximation to interpret the effect of variables like temperature on the suction, as capillarity only represents one of the mechanisms by which soil is able to hold water in its voids. A more powerful tool is obtained when thermodynamic concepts of interfacial phenomena are considered to analyse the physical adsorption of water by soils. Surface thermodynamics is able to explain the physical adsorption of thin films on solid surface but its application to porous materials is of very limited utility because of the complex geometry of the interfaces in the case of soils. On the other hand, the thermodynamics of adsorption can be treated as a special case of solution thermodynamics for which the adsorbates are the solutes and the adsorbent is the solvent. Experimental results show that the water retention capacity of soil tends to reduce with increasing temperature. Traditionally, the temperature effect was analysed following the idea proposed by Philip and de Vries (1957) which suggested that changes

Thermodynamic modeling of the Ca-Sn system based on finite temperature quantities from first-principles and experiment

International Nuclear Information System (INIS)

Ohno, M.; Kozlov, A.; Arroyave, R.; Liu, Z.K.; Schmid-Fetzer, R.

2006-01-01

The thermodynamic model of the Ca-Sn system was obtained, utilizing the first-principles total energies and heat capacities calculated from 0 K to the melting points of the major phases. Since the first-principles result for the formation energy of the dominating Ca 2 Sn intermetallic phase is drastically different from the reported experimental data, we performed two types of thermodynamic modeling: one based on the first-principles output and the other based on the experimental data. In the former modeling, the Gibbs energies of the intermetallic compounds were fully quantified from the first-principles finite temperature properties and the superiority of the former thermodynamic description is demonstrated. It is shown that it is the combination of finite temperature first-principle calculations and the Calphad modeling tool that provides a sound basis for identifying and deciding on conflicting key thermodynamic data in the Ca-Sn system

Hamiltonian and Thermodynamic Modeling of Quantum Turbulence

Science.gov (United States)

Grmela, Miroslav

2010-10-01

The state variables in the novel model introduced in this paper are the fields playing this role in the classical Landau-Tisza model and additional fields of mass, entropy (or temperature), superfluid velocity, and gradient of the superfluid velocity, all depending on the position vector and another tree dimensional vector labeling the scale, describing the small-scale structure developed in 4He superfluid experiencing turbulent motion. The fluxes of mass, momentum, energy, and entropy in the position space as well as the fluxes of energy and entropy in scales, appear in the time evolution equations as explicit functions of the state variables and of their conjugates. The fundamental thermodynamic relation relating the fields to their conjugates is left in this paper undetermined. The GENERIC structure of the equations serves two purposes: (i) it guarantees that solutions to the governing equations, independently of the choice of the fundamental thermodynamic relation, agree with the observed compatibility with thermodynamics, and (ii) it is used as a guide in the construction of the novel model.

Thermodynamic derivation of Saha's equation for a multi-temperature plasma

International Nuclear Information System (INIS)

Morro, Angelo; Romeo, Maurizio

1988-01-01

The ionization equilibrium between the constituents of a multi-temperature plasma is investigated within the thermodynamics of fluid mixtures. As a result, a law of mass action is derived that, in the approximation of ideal gases for the constituents, leads to a direct generalization of Saha's equation. The main properties of this generalization are discussed, and contrasted with those of other equations which have appeared in the literature. (author)

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 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)

Thermodynamics of high-temperature and high-density hadron gas by a numerical simulation

Energy Technology Data Exchange (ETDEWEB)

Sasaki, Nobuo; Miyamura, Osamu [Hiroshima Univ., Higashi-Hiroshima (Japan). Dept. of Physics

1998-07-01

We study thermodynamical properties of hot and dense hadronic gas an event generator URASiMA. In our results, the increase of temperature is suppressed. It indicates that hot and dense hadronic gas has a large specific heat at constant volume. (author)

Seismic and thermodynamics constraints on temperature and composition of the Italian crust.

Science.gov (United States)

Diaferia, G.; Cammarano, F.; Piana Agostinetti, N.; Gao, C.; Boschi, L.; Molinari, I.

2017-12-01

Describing the variation of temperature and composition within the crust is of key importance for the understanding of its formation, evolution and its volcano-tectonic processes. We combine different geophysical observations with information on material properties, contributing to improve our knowledge on the structure, chemical and thermal heterogeneity of the crust. We use thermodynamic modeling to assess the effects of temperature, pressure and water content on seismic velocities. We find that i) temperature, rather than composition and water content, plays a major role in affecting seismic properties of crustal rocks, ii) mineralogical phase transitions, such as the α-β quartz transition and the plagioclase breakdown, play an important role on seismic observables, iii) the ratio between shear-wave velocity and density does not change appreciably in the crust, even as temperature and mineralogy are varied. Informed by these findings, we apply a trans-dimensional Montecarlo Markov-Chain inversion algorithm to jointly invert Rayleigh wave dispersion curves and receiver functions. Dispersion curves are derived from ambient-noise and provide a homogeneous coverage of the Italian Peninsula. More than 200 receiver functions are used with their error and correlation functions included during the inversion phase, to account for data uncertainty. The ensemble of seismic models obtained through the joint inversion is analyzed and preliminary interpretations based on petrological and thermodynamics constraints are presented.

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.

High-temperature thermodynamic data for species in aqueous solution. Final report

International Nuclear Information System (INIS)

Cobble, J.W.; Murray, R.C. Jr.; Turner, P.J.; Chen, K.

1982-05-01

This final report summarizes the results of experimental and theoretical research on the high temperature thermodynamic properties of aqueous species important to nuclear reactor water chemistry. Methods of predicting thermodynamic functions are included for electrolytes up to 300 0 C where experimental data are lacking. Data in the literature are evaluated and tables of important equilibrium constants for 78 reactions encountered in corrosion and precipitation in nuclear reactors are listed up to 300 0 C. Finally, tables of free energy functions from 0 to 300 0 C are given for 56 individual species. These data represented form a major compilation resulting from the most advanced experimental and theoretical methods. Illustrations of the use of the tables are given for problems involving pH control, precipitation, and corrosion. 11 figures, 100 tables

Low-temperature heat capacity and thermodynamic functions of vitamin B12

International Nuclear Information System (INIS)

Knyazev, A.V.; Smirnova, N.N.; Plesovskikh, A.S.; Shushunov, A.N.; Knyazeva, S.S.

2014-01-01

Graphical abstract: - Highlights: • Temperature dependence of heat capacity of vitamin B 12 has been measured by precision adiabatic vacuum calorimetry. • The thermodynamic functions of the vitamin B 12 have been determined for the range from T → 0 to 343 K. • The character of heterodynamics of structure was detected. • The thermal stability of cyanocobalamin was studied by differential scanning calorimetry. - Abstract: In the present work temperature dependence of heat capacity of vitamin B 12 (cyanocobalamin) has been measured for the first time in the range from 6 to 343 K by precision adiabatic vacuum calorimetry. Based on the experimental data, the thermodynamic functions of the vitamin B 12 , namely, the heat capacity, enthalpy H°(T) − H°(0), entropy S°(T) − S°(0) and Gibbs function G°(T) − H°(0) have been determined for the range from T → 0 to 343 K. The value of the fractal dimension D in the function of multifractal generalization of Debye's theory of the heat capacity of solids was estimated and the character of heterodynamics of structure was detected. The thermal stability of cyanocobalamin was also studied by differential scanning calorimetry

Gauss-Bonnet coupling constant as a free thermodynamical variable and the associated criticality

International Nuclear Information System (INIS)

Xu, Wei; Xu, Hao; Zhao, Liu

2014-01-01

The thermodynamic phase space of Gauss-Bonnet (GB) AdS black holes is extended, taking the inverse of the GB coupling constant as a new thermodynamic pressure P GB . We studied the critical behavior associated with P GB in the extended thermodynamic phase space at fixed cosmological constant and electric charge. The result shows that when the black holes are neutral, the associated critical points can only exist in five dimensional GB-AdS black holes with spherical topology, and the corresponding critical exponents are identical to those for the Van der Waals system. For charged GB-AdS black holes, it is shown that there can be only one critical point in five dimensions (for black holes with either spherical or hyperbolic topologies), which also requires the electric charge to be bounded within some appropriate range; while in d < 5 dimensions, there can be up to two different critical points at the same electric charge, and the phase transition can occur only at temperatures which are not in between the two critical values. (orig.)

Thermodynamic Analysis and Optimization of a High Temperature Triple Absorption Heat Transformer

Science.gov (United States)

Khamooshi, Mehrdad; Yari, Mortaza; Egelioglu, Fuat; Salati, Hana

2014-01-01

First law of thermodynamics has been used to analyze and optimize inclusively the performance of a triple absorption heat transformer operating with LiBr/H2O as the working pair. A thermodynamic model was developed in EES (engineering equation solver) to estimate the performance of the system in terms of the most essential parameters. The assumed parameters are the temperature of the main components, weak and strong solutions, economizers' efficiencies, and bypass ratios. The whole cycle is optimized by EES software from the viewpoint of maximizing the COP via applying the direct search method. The optimization results showed that the COP of 0.2491 is reachable by the proposed cycle. PMID:25136702

Thermodynamic Analysis and Optimization of a High Temperature Triple Absorption Heat Transformer

Directory of Open Access Journals (Sweden)

Mehrdad Khamooshi

2014-01-01

Full Text Available First law of thermodynamics has been used to analyze and optimize inclusively the performance of a triple absorption heat transformer operating with LiBr/H2O as the working pair. A thermodynamic model was developed in EES (engineering equation solver to estimate the performance of the system in terms of the most essential parameters. The assumed parameters are the temperature of the main components, weak and strong solutions, economizers’ efficiencies, and bypass ratios. The whole cycle is optimized by EES software from the viewpoint of maximizing the COP via applying the direct search method. The optimization results showed that the COP of 0.2491 is reachable by the proposed cycle.

High temperature mass spectrometry for thermodynamic study of radioactive materials

International Nuclear Information System (INIS)

Pattoret, Andre; Philippot, Joseph; Pesme, Olivier.

1983-01-01

Thermodynamic properties and evaporation kinetics are essential data to evaluate the nuclear fuel behaviour under accidental conditions. High temperature mass spectrometry appears as a valuable method to set up a such assessment. However, because of size, complexity and radioactivity of the irradiated samples, important improvements of the classical method are required. The device built in CEN/FAR to overcome these problems is described; performances and possible applications out of the nuclear safety field are presented [fr

Irreversible Thermodynamics of the Universe: Constraints from Planck Data

International Nuclear Information System (INIS)

Saha, Subhajit; Chakraborty, Subenoy; Biswas, Atreyee

2014-01-01

The present work deals with irreversible universal thermodynamics. The homogenous and isotropic flat model of the universe is chosen as open thermodynamical system and nonequilibrium thermodynamics comes into picture. For simplicity, entropy flow is considered only due to heat conduction. Further, due to Maxwell-Cattaneo modified Fourier law for nonequilibrium phenomenon, the temperature satisfies damped wave equation instead of heat conduction equation. Validity of generalized second law of thermodynamics (GSLT) has been investigated for universe bounded by apparent or event horizon with cosmic substratum as perfect fluid with constant or variable equation of state or interacting dark species. Finally, we have used three Planck data sets to constrain the thermal conductivity λ and the coupling parameter b 2 . These constraints must be satisfied in order for GSLT to hold for universe bounded by apparent or event horizons

Weighted reciprocal of temperature, weighted thermal flux, and their applications in finite-time thermodynamics.

Science.gov (United States)

Sheng, Shiqi; Tu, Z C

2014-01-01

The concepts of weighted reciprocal of temperature and weighted thermal flux are proposed for a heat engine operating between two heat baths and outputting mechanical work. With the aid of these two concepts, the generalized thermodynamic fluxes and forces can be expressed in a consistent way within the framework of irreversible thermodynamics. Then the efficiency at maximum power output for a heat engine, one of key topics in finite-time thermodynamics, is investigated on the basis of a generic model under the tight-coupling condition. The corresponding results have the same forms as those of low-dissipation heat engines [ M. Esposito, R. Kawai, K. Lindenberg and C. Van den Broeck Phys. Rev. Lett. 105 150603 (2010)]. The mappings from two kinds of typical heat engines, such as the low-dissipation heat engine and the Feynman ratchet, into the present generic model are constructed. The universal efficiency at maximum power output up to the quadratic order is found to be valid for a heat engine coupled symmetrically and tightly with two baths. The concepts of weighted reciprocal of temperature and weighted thermal flux are also transplanted to the optimization of refrigerators.

Thermodynamic performance optimization of a combined power/cooling cycle

International Nuclear Information System (INIS)

Pouraghaie, M.; Atashkari, K.; Besarati, S.M.; Nariman-zadeh, N.

2010-01-01

A combined thermal power and cooling cycle has already been proposed in which thermal energy is used to produce work and to generate a sub-ambient temperature stream that is suitable for cooling applications. The cycle uses ammonia-water mixture as working fluid and is a combination of a Rankine cycle and absorption cycle. The very high ammonia vapor concentration, exiting turbine under certain operating conditions, can provide power output as well as refrigeration. In this paper, the goal is to employ multi-objective algorithms for Pareto approach optimization of thermodynamic performance of the cycle. It has been carried out by varying the selected design variables, namely, turbine inlet pressure (P h ), superheater temperature (T superheat ) and condenser temperature (T condensor ). The important conflicting thermodynamic objective functions that have been considered in this study are turbine work (w T ), cooling capacity (q cool ) and thermal efficiency (η th ) of the cycle. It is shown that some interesting and important relationships among optimal objective functions and decision variables involved in the combined cycle can be discovered consequently. Such important relationships as useful optimal design principles would have not been obtained without the use of a multi-objective optimization approach.

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…

Thermodynamic ocean-atmosphere Coupling and the Predictability of Nordeste rainfall

Science.gov (United States)

Chang, P.; Saravanan, R.; Giannini, A.

2003-04-01

The interannual variability of rainfall in the northeastern region of Brazil, or Nordeste, is known to be very strongly correlated with sea surface temperature (SST) variability, of Atlantic and Pacific origin. For this reason the potential predictability of Nordeste rainfall is high. The current generation of state-of-the-art atmospheric models can replicate the observed rainfall variability with high skill when forced with the observed record of SST variability. The correlation between observed and modeled indices of Nordeste rainfall, in the AMIP-style integrations with two such models (NSIPP and CCM3) analyzed here, is of the order of 0.8, i.e. the models explain about 2/3 of the observed variability. Assuming that thermodynamic, ocean-atmosphere heat exchange plays the dominant role in tropical Atlantic SST variability on the seasonal to interannual time scale, we analyze its role in Nordeste rainfall predictability using an atmospheric general circulation model coupled to a slab ocean model. Predictability experiments initialized with observed December SST show that thermodynamic coupling plays a significant role in enhancing the persistence of SST anomalies, both in the tropical Pacific and in the tropical Atlantic. We show that thermodynamic coupling is sufficient to provide fairly accurate forecasts of tropical Atlantic SST in the boreal spring that are significantly better than the persistence forecasts. The consequences for the prediction of Nordeste rainfall are analyzed.

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

Energy Technology Data Exchange (ETDEWEB)

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

2003-05-01

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

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

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).

Thermodynamic data development using the solubility method (Joint research)

International Nuclear Information System (INIS)

Rai, Dhanpat; Yui, Mikazu

2013-05-01

The solubility method is one of the most powerful tools to obtain reliable thermodynamic data for 1) solubility products of discrete solids and double salts, 2) complexation constants for various ligands, 3) development of data in a wide range of pH values, 4) evaluation of data for metals that form very insoluble solids (e.g. tetravalent actinides), 5) determining solubility-controlling solids in different types of wastes and 6) elevated temperatures for redox sensitive systems. This document is focused on describing various aspects of obtaining thermodynamic data using the solubility method. This manuscript deals with various aspects of conducting solubility studies, including selecting the study topic, modeling to define important variables, selecting the range of variables and experimental parameters, anticipating results, general equipment requirements, conducting experiments, and interpreting experimental data. (author)

A methodology for thermodynamic simulation of high temperature, internal reforming fuel cell systems

Science.gov (United States)

Matelli, José Alexandre; Bazzo, Edson

This work presents a methodology for simulation of fuel cells to be used in power production in small on-site power/cogeneration plants that use natural gas as fuel. The methodology contemplates thermodynamics and electrochemical aspects related to molten carbonate and solid oxide fuel cells (MCFC and SOFC, respectively). Internal steam reforming of the natural gas hydrocarbons is considered for hydrogen production. From inputs as cell potential, cell power, number of cell in the stack, ancillary systems power consumption, reformed natural gas composition and hydrogen utilization factor, the simulation gives the natural gas consumption, anode and cathode stream gases temperature and composition, and thermodynamic, electrochemical and practical efficiencies. Both energetic and exergetic methods are considered for performance analysis. The results obtained from natural gas reforming thermodynamics simulation show that the hydrogen production is maximum around 700 °C, for a steam/carbon ratio equal to 3. As shown in the literature, the found results indicate that the SOFC is more efficient than MCFC.

Low temperature heat capacities and thermodynamic functions described by Debye-Einstein integrals.

Science.gov (United States)

Gamsjäger, Ernst; Wiessner, Manfred

2018-01-01

Thermodynamic data of various crystalline solids are assessed from low temperature heat capacity measurements, i.e., from almost absolute zero to 300 K by means of semi-empirical models. Previous studies frequently present fit functions with a large amount of coefficients resulting in almost perfect agreement with experimental data. It is, however, pointed out in this work that special care is required to avoid overfitting. Apart from anomalies like phase transformations, it is likely that data from calorimetric measurements can be fitted by a relatively simple Debye-Einstein integral with sufficient precision. Thereby, reliable values for the heat capacities, standard enthalpies, and standard entropies at T  = 298.15 K are obtained. Standard thermodynamic functions of various compounds strongly differing in the number of atoms in the formula unit can be derived from this fitting procedure and are compared to the results of previous fitting procedures. The residuals are of course larger when the Debye-Einstein integral is applied instead of using a high number of fit coefficients or connected splines, but the semi-empiric fit coefficients keep their meaning with respect to physics. It is suggested to use the Debye-Einstein integral fit as a standard method to describe heat capacities in the range between 0 and 300 K so that the derived thermodynamic functions are obtained on the same theory-related semi-empiric basis. Additional fitting is recommended when a precise description for data at ultra-low temperatures (0-20 K) is requested.

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

Thermodynamic properties of OsB under high temperature and high pressure

Science.gov (United States)

Chen, Hai-Hua; Li, Zuo; Cheng, Yan; Bi, Yan; Cai, Ling-Cang

2011-09-01

The energy-volume curves of OsB have been obtained using the first-principles plane-wave ultrasoft-pseudopotential density functional theory (DFT) within the generalized gradient approximation (GGA) and local density approximation (LDA). Using the quasi-harmonic Debye model we first analyze the specific heat, the coefficients of thermal expansion as well as the thermodynamic Grüneisen parameter of OsB in a wide temperature range at high pressure. At temperature 300 K, the coefficients of thermal expansion αV by LDA and GGA calculations are 1.67×10 -5 1/K and 2.01×10 -5 1/K, respectively. The specific heat of OsB at constant pressure (volume) is also calculated. Meanwhile, we find that the Debye temperature of OsB increases monotonically with increasing pressure. The present study leads to a better understanding of how the OsB materials respond to pressure and temperature.

Predicting structural properties of fluids by thermodynamic extrapolation

Science.gov (United States)

Mahynski, Nathan A.; Jiao, Sally; Hatch, Harold W.; Blanco, Marco A.; Shen, Vincent K.

2018-05-01

We describe a methodology for extrapolating the structural properties of multicomponent fluids from one thermodynamic state to another. These properties generally include features of a system that may be computed from an individual configuration such as radial distribution functions, cluster size distributions, or a polymer's radius of gyration. This approach is based on the principle of using fluctuations in a system's extensive thermodynamic variables, such as energy, to construct an appropriate Taylor series expansion for these structural properties in terms of intensive conjugate variables, such as temperature. Thus, one may extrapolate these properties from one state to another when the series is truncated to some finite order. We demonstrate this extrapolation for simple and coarse-grained fluids in both the canonical and grand canonical ensembles, in terms of both temperatures and the chemical potentials of different components. The results show that this method is able to reasonably approximate structural properties of such fluids over a broad range of conditions. Consequently, this methodology may be employed to increase the computational efficiency of molecular simulations used to measure the structural properties of certain fluid systems, especially those used in high-throughput or data-driven investigations.

Temperature of maximum density and excess thermodynamics of aqueous mixtures of methanol

Energy Technology Data Exchange (ETDEWEB)

González-Salgado, D.; Zemánková, K. [Departamento de Física Aplicada, Universidad de Vigo, Campus del Agua, Edificio Manuel Martínez-Risco, E-32004 Ourense (Spain); Noya, E. G.; Lomba, E. [Instituto de Química Física Rocasolano, CSIC, Calle Serrano 119, E-28006 Madrid (Spain)

2016-05-14

In this work, we present a study of representative excess thermodynamic properties of aqueous mixtures of methanol over the complete concentration range, based on extensive computer simulation calculations. In addition to test various existing united atom model potentials, we have developed a new force-field which accurately reproduces the excess thermodynamics of this system. Moreover, we have paid particular attention to the behavior of the temperature of maximum density (TMD) in dilute methanol mixtures. The presence of a temperature of maximum density is one of the essential anomalies exhibited by water. This anomalous behavior is modified in a non-monotonous fashion by the presence of fully miscible solutes that partly disrupt the hydrogen bond network of water, such as methanol (and other short chain alcohols). In order to obtain a better insight into the phenomenology of the changes in the TMD of water induced by small amounts of methanol, we have performed a new series of experimental measurements and computer simulations using various force fields. We observe that none of the force-fields tested capture the non-monotonous concentration dependence of the TMD for highly diluted methanol solutions.

Thermodynamic data for selected gas impurities in the primary coolant of high-temperature gas-cooled reactors

International Nuclear Information System (INIS)

Feber, R.C.

1976-12-01

The literature of thermodynamic data for selected fission-product species is reviewed and supplemented in support of complex chemical equilibrium calculations applied to fission-product distributions in the primary coolant of high-temperature gas-cooled reactors. Thermodynamic functions and heats and free energies of formation are calculated and tabulated to 3000 0 K for CsI (s,l,g), Cs 2 I 2 (g), CH 3 I(g), COI 2 (g), and CsH(g). 79 references

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.

Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications

International Nuclear Information System (INIS)

Wang, Haiyan; Qi, Haiyang; Wang, Weizong; Yan, Joseph D; Geng, Jinyue; Wu, Yaowu

2017-01-01

Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg–Waage equation according to van de Sanden et al ’s derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto’s electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman–Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes. (paper)

Thermodynamic properties and transport coefficients of a two-temperature polytetrafluoroethylene vapor plasma for ablation-controlled discharge applications

Science.gov (United States)

Wang, Haiyan; Wang, Weizong; Yan, Joseph D.; Qi, Haiyang; Geng, Jinyue; Wu, Yaowu

2017-10-01

Ablation-controlled plasmas have been used in a range of technical applications where local thermodynamic equilibrium (LTE) is often violated near the wall due to the strong cooling effect caused by the ablation of wall materials. The thermodynamic and transport properties of ablated polytetrafluoroethylene (PTFE) vapor, which determine the flowing plasma behavior in such applications, are calculated based on a two-temperature model at atmospheric pressure. To our knowledge, no data for PTFE have been reported in the literature. The species composition and thermodynamic properties are numerically determined using the two-temperature Saha equation and the Guldberg-Waage equation according to van de Sanden et al’s derivation. The transport coefficients, including viscosity, thermal conductivity and electrical conductivity, are calculated with the most recent collision interaction potentials using Devoto’s electron and heavy-particle decoupling approach but expanded to the third-order approximation (second-order for viscosity) in the frame of the Chapman-Enskog method. Results are computed for different degrees of thermal non-equilibrium, i.e. the ratio of electron to heavy-particle temperatures, from 1 to 10, with electron temperature ranging from 300 to 40 000 K. Plasma transport properties in the LTE state obtained from the present work are compared with existing published results and the causes for the discrepancy analyzed. The two-temperature plasma properties calculated in the present work enable the modeling of wall ablation-controlled plasma processes.

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.

Thermodynamic properties of bcc crystals at high temperatures: The transition metals

International Nuclear Information System (INIS)

MacDonald, R.A.; Shukla, R.C.

1985-01-01

The second-neighbor central-force model of a bcc crystal, previously used in lowest-order anharmonic perturbation theory to calculate the thermodynamic properties of the alkali metals, is here applied to the transition metals V, Nb, Ta, Mo, and W. The limitations of the model are apparent in the thermal-expansion results, which fall away from the experimental trend above about 1800 K. The specific heat similarly fails to exhibit the sharp rise that is observed at higher temperatures. A static treatment of vacancies cannot account for the difference between theory and experiment. The electrons have been taken into account by using a model that specifically includes d-band effects in the electron ground-state energy. The results thus obtained for the bulk moduli are quite satisfactory. In the light of these results, we discuss the prerequisites for a better treatment of metals when the electrons play an important role in determining the thermodynamic properties

Teaching Differentials in Thermodynamics Using Spatial Visualization

Science.gov (United States)

Wang, Chih-Yueh; Hou, Ching-Han

2012-01-01

The greatest difficulty that is encountered by students in thermodynamics classes is to find relationships between variables and to solve a total differential equation that relates one thermodynamic state variable to two mutually independent state variables. Rules of differentiation, including the total differential and the cyclic rule, are…

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.

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.

(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

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...

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

Low temperature thermodynamic investigation of the phase diagram of Sr3Ru2O7

Science.gov (United States)

Sun, D.; Rost, A. W.; Perry, R. S.; Mackenzie, A. P.; Brando, M.

2018-03-01

We studied the phase diagram of Sr3Ru2O7 by means of heat capacity and magnetocaloric effect measurements at temperatures as low as 0.06 K and fields up to 12 T. We confirm the presence of a new quantum critical point at 7.5 T which is characterized by a strong non-Fermi-liquid behavior of the electronic specific heat coefficient Δ C /T ˜-logT over more than a decade in temperature, placing strong constraints on theories of its criticality. In particular logarithmic corrections are found when the dimension d is equal to the dynamic critical exponent z , in contrast to the conclusion of a two-dimensional metamagnetic quantum critical end point, recently proposed. Moreover, we achieved a clear determination of the new second thermodynamic phase adjoining the first one at lower temperatures. Its thermodynamic features differ significantly from those of the dominant phase and characteristics expected of classical equilibrium phase transitions are not observed, indicating fundamental differences in the phase formation.

Temperature variability over the tropical middle atmosphere

Directory of Open Access Journals (Sweden)

K. Mohanakumar

1994-04-01

Full Text Available A study on the variability of temperature in the tropical middle atmosphere over Thumba (8 32' N, 76 52' E, located at the southern part of India, has been carried out based on rocket observations for a period of 20 years, extending from 1970 to 1990. The rocketsonde-derived mean temperatures over Thumba are corrected prior to 1978 and then compared with the middle atmospheric reference model developed from satellite observations and Solar Mesosphere Explorer (SME satellite data. Temperature variability at every 1 km interval in the 25-75 km region was analysed. The tropical stratosphere is found to be highly stable, whereas considerable variability is noted in the middle mesosphere. The effect of seasonal cycle is least in the lower stratosphere. Annual and semi-annual oscillations in temperature are the primary oscillations in the tropical middle atmosphere. Annual temperature oscillations are dominant in the mesosphere and semi-annual oscillations are strong in the stratosphere. The stratopause region is noted to be the part of the middle atmosphere least sensitive to the changes in solar activity and long-term variability.

Spatial and Seasonal Variability of Temperature in CO2 Emission from Mars' Mesosphere

Science.gov (United States)

Livengood, Timothy A.; Kostiuk, Theodor; Hewagama, Tilak; Kolasinski, John R.; Henning, Wade; Fast, Kelly Elizabeth; Sonnabend, Guido; Sornig, Manuela

2017-10-01

We have observed non-local thermodynamic equilibrium (non-LTE) emission of carbon dioxide that probes Mars’ mesosphere in 2001, 2003, 2007, 2012, 2014, and 2016. These measurements were conducted at 10.6 μm wavelength using the Goddard Space Flight Center Heterodyne Instrument for Planetary Winds and Composition (HIPWAC) from the NASA Infrared Telescope Facility (IRTF) at resolving power (1-33)×106. The Maxwellian broadening of the emission line can be measured at this resolution, providing a direct determination of temperature in the mesosphere. The nonLTE line appears as a narrow emission core within a broad absorption formed by tropospheric CO2, which provides temperature information reaching down to the martian surface, while the mesospheric line probes temperature at about 60-80 km altitude. We will report on the spatial distribution of temperature and emission line strength with local solar time on Mars, with latitude, as well as long-term variability including seasonal effects that modify the overall thermal structure of the atmosphere. These remote measurements complement results from orbital spacecraft through access to a broad range of local solar time on each occasion.This work has been supported by the NASA Planetary Astronomy and Solar Systems Observations Programs

The Southern Oscillation and northern hemisphere temperature variability

International Nuclear Information System (INIS)

Ropelewski, C.F.; Halpert, M.S.

1990-01-01

The Southern Oscillation (SO) is the best defined and understood mode of interannual climate variability. The extreme phases of the SO have been identified with global-scale variations in the atmosphere/ocean circulation system and with the modulation of monsoon precipitation on the global scale. While SO-related precipitation has been the subject of several studies, the magnitude of the SO-related temperature variability on the global scale has not been well documented. In this paper the authors provide an estimate of the SO-related temperature variability in the context of monitoring global warming related to the increase in greenhouse gases. This analysis suggested that traditional time series of hemispheric and global temperature anomalies for the calendar year may confuse interannual temperature variability associated with the SO and perceived climate trend. Analyses based on calendar-year data are likely to split the effects of the SO-related temperature variability over two years. The Northern Hemisphere cold season (october through March) time series may be more appropriate to separate the SO-related effects on the hemispheric temperature from other modes of variability. mean interannual temperature anomaly differences associated with the extremes of the So are estimated to be 0.2 C for the October-to-March season in the Northern Hemisphere. In areas directly linked to the SO, the mean interannual differences amount to over 0.5 C. The So cannot account for all the variability in the hemispheric times series of surface temperature estimates, but the SO signal must be properly accounted for if these time series are to be understood

Thermomechanical and calorimetric behaviours of supported glass-forming films: A study based on thermodynamics with internal variables

International Nuclear Information System (INIS)

Lion, Alexander; Engelhard, Marco; Johlitz, Michael

2012-01-01

In order to understand the temperature-dependent response behaviour of thin thermoviscoelastic films which are deposited on relative stiff but thermally deformable substrates it is important to consider the lateral geometric constraints. They are generated by differences in the thermal expansion properties between the substrate and the film and provoke internal stresses. Since glass-forming materials exhibit distinct temperature history-dependent thermal expansion and calorimetric properties, primarily in the vicinity of the glass transition, the situation is rather complicated. In this article, a recently developed three-dimensional model of thermodynamics with internal variables is applied and adapted to simulate this type of behaviour. Explicit relations are obtained for the specific heat of the film, the normal strain and the lateral stresses. Numerical simulations demonstrate that the magnitude of the internal stress at temperatures below the glass transition depends strongly on the cooling rate. It is also shown that the specific heat of the supported film is principally different from the isobaric specific heat of the bulk material: the glassy limit of the specific heat of the film is reduced but the glass transition temperature is almost uninfluenced. The simulated behaviour is in accordance with experimental observations from literature. - Highlights: ► For the specific heat, stress and strain of the film, explicit equations were derived. ► The constraints of the substrate reduce the glassy limit of specific heat of the film. ► Glass transition temperatures of free bulk material and supported film are equal. ► Simulations are in good agreement with experimental observations from literature.

Immersion-scanning-tunneling-microscope for long-term variable-temperature experiments at liquid-solid interfaces

Science.gov (United States)

Ochs, Oliver; Heckl, Wolfgang M.; Lackinger, Markus

2018-05-01

Fundamental insights into the kinetics and thermodynamics of supramolecular self-assembly on surfaces are uniquely gained by variable-temperature high-resolution Scanning-Tunneling-Microscopy (STM). Conventionally, these experiments are performed with standard ambient microscopes extended with heatable sample stages for local heating. However, unavoidable solvent evaporation sets a technical limit on the duration of these experiments, hence prohibiting long-term experiments. These, however, would be highly desirable to provide enough time for temperature stabilization and settling of drift but also to study processes with inherently slow kinetics. To overcome this dilemma, we propose a STM that can operate fully immersed in solution. The instrument is mounted onto the lid of a hermetically sealed heatable container that is filled with the respective solution. By closing the container, both the sample and microscope are immersed in solution. Thereby solvent evaporation is eliminated and an environment for long-term experiments with utmost stable and controllable temperatures between room-temperature and 100 °C is provided. Important experimental requirements for the immersion-STM and resulting design criteria are discussed, the strategy for protection against corrosive media is described, the temperature stability and drift behavior are thoroughly characterized, and first long-term high resolution experiments at liquid-solid interfaces are presented.

Low-temperature heat capacity and thermodynamic functions of vitamin B{sub 12}

Energy Technology Data Exchange (ETDEWEB)

Knyazev, A.V., E-mail: knyazevav@gmail.com; Smirnova, N.N.; Plesovskikh, A.S.; Shushunov, A.N.; Knyazeva, S.S.

2014-04-01

Graphical abstract: - Highlights: • Temperature dependence of heat capacity of vitamin B{sub 12} has been measured by precision adiabatic vacuum calorimetry. • The thermodynamic functions of the vitamin B{sub 12} have been determined for the range from T → 0 to 343 K. • The character of heterodynamics of structure was detected. • The thermal stability of cyanocobalamin was studied by differential scanning calorimetry. - Abstract: In the present work temperature dependence of heat capacity of vitamin B{sub 12} (cyanocobalamin) has been measured for the first time in the range from 6 to 343 K by precision adiabatic vacuum calorimetry. Based on the experimental data, the thermodynamic functions of the vitamin B{sub 12}, namely, the heat capacity, enthalpy H°(T) − H°(0), entropy S°(T) − S°(0) and Gibbs function G°(T) − H°(0) have been determined for the range from T → 0 to 343 K. The value of the fractal dimension D in the function of multifractal generalization of Debye's theory of the heat capacity of solids was estimated and the character of heterodynamics of structure was detected. The thermal stability of cyanocobalamin was also studied by differential scanning calorimetry.

Identify the dominant variables to predict stream water temperature

Science.gov (United States)

Chien, H.; Flagler, J.

2016-12-01

Stream water temperature is a critical variable controlling water quality and the health of aquatic ecosystems. Accurate prediction of water temperature and the assessment of the impacts of environmental variables on water temperature variation are critical for water resources management, particularly in the context of water quality and aquatic ecosystem sustainability. The objective of this study is to measure stream water temperature and air temperature and to examine the importance of streamflow on stream water temperature prediction. The measured stream water temperature and air temperature will be used to test two hypotheses: 1) streamflow is a relatively more important factor than air temperature in regulating water temperature, and 2) by combining air temperature and streamflow data stream water temperature can be more accurately estimated. Water and air temperature data loggers are placed at two USGS stream gauge stations #01362357and #01362370, located in the upper Esopus Creek watershed in Phonecia, NY. The ARIMA (autoregressive integrated moving average) time series model is used to analyze the measured water temperature data, identify the dominant environmental variables, and predict the water temperature with identified dominant variable. The preliminary results show that streamflow is not a significant variable in predicting stream water temperature at both USGS gauge stations. Daily mean air temperature is sufficient to predict stream water temperature at this site scale.

Anisotropy and temperature dependence of structural, thermodynamic, and elastic properties of crystalline cellulose Iβ: a first-principles investigation

Science.gov (United States)

ShunLi Shang; Louis G. Hector Jr.; Paul Saxe; Zi-Kui Liu; Robert J. Moon; Pablo D. Zavattieri

2014-01-01

Anisotropy and temperature dependence of structural, thermodynamic and elastic properties of crystalline cellulose Iβ were computed with first-principles density functional theory (DFT) and a semi-empirical correction for van der Waals interactions. Specifically, we report the computed temperature variation (up to 500...

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

Science.gov (United States)

Kleidon, Axel

2010-12-01

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

Thermodynamic variables of first-order entropy corrected Lovelock-AdS black holes: P{-}V criticality analysis

Science.gov (United States)

Haldar, Amritendu; Biswas, Ritabrata

2018-06-01

We investigate the effect of thermal fluctuations on the thermodynamics of a Lovelock-AdS black hole. Taking the first order logarithmic correction term in entropy we analyze the thermodynamic potentials like Helmholtz free energy, enthalpy and Gibbs free energy. We find that all the thermodynamic potentials are decreasing functions of correction coefficient α . We also examined this correction coefficient must be positive by analysing P{-}V diagram. Further we study the P{-}V criticality and stability and find that presence of logarithmic correction in it is necessary to have critical points and stable phases. When P{-}V criticality appears, we calculate the critical volume V_c, critical pressure P_c and critical temperature T_c using different equations and show that there is no critical point for this black hole without thermal fluctuations. We also study the geometrothermodynamics of this kind of black holes. The Ricci scalar of the Ruppeiner metric is graphically analysed.

Computational Thermodynamics and Kinetics-Based ICME Framework for High-Temperature Shape Memory Alloys

Science.gov (United States)

Arróyave, Raymundo; Talapatra, Anjana; Johnson, Luke; Singh, Navdeep; Ma, Ji; Karaman, Ibrahim

2015-11-01

Over the last decade, considerable interest in the development of High-Temperature Shape Memory Alloys (HTSMAs) for solid-state actuation has increased dramatically as key applications in the aerospace and automotive industry demand actuation temperatures well above those of conventional SMAs. Most of the research to date has focused on establishing the (forward) connections between chemistry, processing, (micro)structure, properties, and performance. Much less work has been dedicated to the development of frameworks capable of addressing the inverse problem of establishing necessary chemistry and processing schedules to achieve specific performance goals. Integrated Computational Materials Engineering (ICME) has emerged as a powerful framework to address this problem, although it has yet to be applied to the development of HTSMAs. In this paper, the contributions of computational thermodynamics and kinetics to ICME of HTSMAs are described. Some representative examples of the use of computational thermodynamics and kinetics to understand the phase stability and microstructural evolution in HTSMAs are discussed. Some very recent efforts at combining both to assist in the design of HTSMAs and limitations to the full implementation of ICME frameworks for HTSMA development are presented.

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.

Systematic thermodynamic properties of actinide metal-oxygen systems at high temperatures: Emphasis on lower valence states

International Nuclear Information System (INIS)

Ackermann, R.J.; Chandrasekharaiah, M.S.

1975-01-01

The thermodynamic data for the actinide metals and oxides (thorium to curium ) have been assessed, examined for consistency, and compared with the lanthanides. Correlations relating the enthalpies of formation of the solid oxides with the corresponding aquo ions make possible the estimation of the thermodynamic properties of AmO 2 (s) and Am 2 O 3 (s) which are in accordance with vaporization data. The known thermodynamic properties of the substoichiometric dioxides MOsub(2-x)(s) at high temperatures demonstrate the relative stabilities of valence states less than 4+ and lead to the examination of stability requirements for the sesquioxides M 2 O 3 (s) and the monoxides MO(s). Sequential trends in the gaseous metals, monoxides and dioxides are examined, compared, and contrasted with the lanthanides. (author)

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

Can oceanic reanalyses be used to assess recent anthropogenic changes and low-frequency internal variability of upper ocean temperature?

Energy Technology Data Exchange (ETDEWEB)

Corre, L.; Terray, L.; Weaver, A. [Cerfacs-CNRS, Toulouse (France); Balmaseda, M. [E.C.M.W.F, Reading (United Kingdom); Ribes, A. [CNRM-GAME, Meteo France-CNRS, Toulouse (France)

2012-03-15

A multivariate analysis of the upper ocean thermal structure is used to examine the recent long-term changes and decadal variability in the upper ocean heat content as represented by model-based ocean reanalyses and a model-independent objective analysis. The three variables used are the mean temperature above the 14 C isotherm, its depth and a fixed depth mean temperature (250 m mean temperature). The mean temperature above the 14 C isotherm is a convenient, albeit simple, way to isolate thermodynamical changes by filtering out dynamical changes related to thermocline vertical displacements. The global upper ocean observations and reanalyses exhibit very similar warming trends (0.045 C per decade) over the period 1965-2005, superimposed with marked decadal variability in the 1970s and 1980s. The spatial patterns of the regression between indices (representative of anthropogenic changes and known modes of internal decadal variability), and the three variables associated with the ocean heat content are used as fingerprint to separate out the different contributions. The choice of variables provides information about the local heat absorption, vertical distribution and horizontal redistribution of heat, this latter being suggestive of changes in ocean circulation. The discrepancy between the objective analysis and the reanalyses, as well as the spread among the different reanalyses, are used as a simple estimate of ocean state uncertainties. Two robust findings result from this analysis: (1) the signature of anthropogenic changes is qualitatively different from those of the internal decadal variability associated to the Pacific Interdecadal Oscillation and the Atlantic Meridional Oscillation, and (2) the anthropogenic changes in ocean heat content do not only consist of local heat absorption, but are likely related with changes in the ocean circulation, with a clear shallowing of the tropical thermocline in the Pacific and Indian oceans. (orig.)

Thermodynamic analysis of the efficiency of high-temperature steam electrolysis system for hydrogen production

Science.gov (United States)

Mingyi, Liu; Bo, Yu; Jingming, Xu; Jing, Chen

High-temperature steam electrolysis (HTSE), a reversible process of solid oxide fuel cell (SOFC) in principle, is a promising method for highly efficient large-scale hydrogen production. In our study, the overall efficiency of the HTSE system was calculated through electrochemical and thermodynamic analysis. A thermodynamic model in regards to the efficiency of the HTSE system was established and the quantitative effects of three key parameters, electrical efficiency (η el), electrolysis efficiency (η es), and thermal efficiency (η th) on the overall efficiency (η overall) of the HTSE system were investigated. Results showed that the contribution of η el, η es, η th to the overall efficiency were about 70%, 22%, and 8%, respectively. As temperatures increased from 500 °C to 1000 °C, the effect of η el on η overall decreased gradually and the η es effect remained almost constant, while the η th effect increased gradually. The overall efficiency of the high-temperature gas-cooled reactor (HTGR) coupled with the HTSE system under different conditions was also calculated. With the increase of electrical, electrolysis, and thermal efficiency, the overall efficiencies were anticipated to increase from 33% to a maximum of 59% at 1000 °C, which is over two times higher than that of the conventional alkaline water electrolysis.

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 ...

Simulation and Domain Identification of Sea Ice Thermodynamic System

Directory of Open Access Journals (Sweden)

Bing Tan

2012-01-01

Full Text Available Based on the measured data and characteristics of sea ice temperature distribution in space and time, this study is intended to consider a parabolic partial differential equation of the thermodynamic field of sea ice (coupled by snow, ice, and sea water layers with a time-dependent domain and its parameter identification problem. An optimal model with state constraints is presented with the thicknesses of snow and sea ice as parametric variables and the deviation between the calculated and measured sea ice temperatures as the performance criterion. The unique existence of the weak solution of the thermodynamic system is proved. The properties of the identification problem and the existence of the optimal parameter are discussed, and the one-order necessary condition is derived. Finally, based on the nonoverlapping domain decomposition method and semi-implicit difference scheme, an optimization algorithm is proposed for the numerical simulation. Results show that the simulated temperature of sea ice fit well with the measured data, and the better fit is corresponding to the deeper sea ice.

Thermodynamic properties of α-uranium

International Nuclear Information System (INIS)

Ren, Zhiyong; Wu, Jun; Ma, Rong; Hu, Guichao; Luo, Chao

2016-01-01

The lattice constants and equilibrium atomic volume of α-uranium were calculated by Density Functional Theory (DFT). The first principles calculation results of the lattice for α-uranium are in agreement with the experimental results well. The thermodynamic properties of α-uranium from 0 to 900 K and 0–100 GPa were calculated with the quasi-harmonic Debye model. Volume, bulk modulus, entropy, Debye temperature, thermal expansion coefficient and the heat capacity of α-uranium were calculated. The calculated results show that the bulk modulus and Debye temperature increase with the increasing pressure at a given temperature while decreasing with the increasing temperature at a given pressure. Volume, entropy, thermal expansion coefficient and the heat capacity decrease with the increasing pressure while increasing with the increasing temperature. The theoretical results of entropy, Debye temperature, thermal expansion coefficient and the heat capacity show good agreement with the general trends of the experimental values. The constant-volume heat capacity shows typical Debye T"3 power-law behavior at low temperature limit and approaches to the classical asymptotic Dulong-Petit limit at high temperature limit. - Highlights: • Thermodynamic properties of α-U were predicted systematically with quasi-harmonic Debye model. • Summarizations of the corresponding experimental and theoretical results have been made for the EOS and other thermodynamic parameters. • The calculated thermodynamic properties show good agreement with the experimental results in general trends.

Thermodynamic properties of α-uranium

Energy Technology Data Exchange (ETDEWEB)

Ren, Zhiyong; Wu, Jun; Ma, Rong; Hu, Guichao; Luo, Chao, E-mail: luochaoboss@sohu.com

2016-11-15

The lattice constants and equilibrium atomic volume of α-uranium were calculated by Density Functional Theory (DFT). The first principles calculation results of the lattice for α-uranium are in agreement with the experimental results well. The thermodynamic properties of α-uranium from 0 to 900 K and 0–100 GPa were calculated with the quasi-harmonic Debye model. Volume, bulk modulus, entropy, Debye temperature, thermal expansion coefficient and the heat capacity of α-uranium were calculated. The calculated results show that the bulk modulus and Debye temperature increase with the increasing pressure at a given temperature while decreasing with the increasing temperature at a given pressure. Volume, entropy, thermal expansion coefficient and the heat capacity decrease with the increasing pressure while increasing with the increasing temperature. The theoretical results of entropy, Debye temperature, thermal expansion coefficient and the heat capacity show good agreement with the general trends of the experimental values. The constant-volume heat capacity shows typical Debye T{sup 3} power-law behavior at low temperature limit and approaches to the classical asymptotic Dulong-Petit limit at high temperature limit. - Highlights: • Thermodynamic properties of α-U were predicted systematically with quasi-harmonic Debye model. • Summarizations of the corresponding experimental and theoretical results have been made for the EOS and other thermodynamic parameters. • The calculated thermodynamic properties show good agreement with the experimental results in general trends.

Thermodynamic cycles of adsorption desalination system

International Nuclear Information System (INIS)

Wu, Jun W.; Hu, Eric J.; Biggs, Mark J.

2012-01-01

Highlights: ► Thermodynamic cycles of adsorption desalination (AD) system have been identified all possible evaporator temperature scenarios. ► Temperature of evaporator determines the cycle. ► Higher evaporator temperature leads to higher water production if no cooling is required. -- Abstract: The potential to use waste heat to co-generate cooling and fresh water from saline water using adsorption on silica is attracting increasing attention. A variety of different thermodynamic cycles of such an adsorption desalination (AD) system arise as the temperature of the saline water evaporator is varied relative to temperature of the water used to cool the adsorbent as it adsorbs the evaporated water. In this paper, all these possible thermodynamic cycles are enumerated and analysed to determine their relative performances in terms of specific energy consumption and fresh water productivity.

Effects of short-term variability of meteorological variables on soil temperature in permafrost regions

Science.gov (United States)

Beer, Christian; Porada, Philipp; Ekici, Altug; Brakebusch, Matthias

2018-03-01

Effects of the short-term temporal variability of meteorological variables on soil temperature in northern high-latitude regions have been investigated. For this, a process-oriented land surface model has been driven using an artificially manipulated climate dataset. Short-term climate variability mainly impacts snow depth, and the thermal diffusivity of lichens and bryophytes. These impacts of climate variability on insulating surface layers together substantially alter the heat exchange between atmosphere and soil. As a result, soil temperature is 0.1 to 0.8 °C higher when climate variability is reduced. Earth system models project warming of the Arctic region but also increasing variability of meteorological variables and more often extreme meteorological events. Therefore, our results show that projected future increases in permafrost temperature and active-layer thickness in response to climate change will be lower (i) when taking into account future changes in short-term variability of meteorological variables and (ii) when representing dynamic snow and lichen and bryophyte functions in land surface models.

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

Thermodynamic analysis of a low-temperature waste heat recovery system based on the concept of solar chimney

International Nuclear Information System (INIS)

Chen, Kai; Wang, Jiangfeng; Dai, Yiping; Liu, Yuqi

2014-01-01

Highlights: • A low grade waste heat recovery system based on the concept of solar chimney is proposed. • The effects of three key factors on the system performance are examined. • Thermodynamics analysis is to find a better way to utilize low grade heat source efficiently. - Abstract: The utilization of low-temperature waste heat draws more and more attention due to serious energy crisis nowadays. This paper proposes a low-temperature waste heat recovery system based on the concept of solar chimney. In the system, low-temperature waste heat is used to heat air to produce an air updraft in the chimney tower. The air updraft propels a turbine fixed at the base of the chimney tower to convert waste heat into electricity. The mathematical model of the system is established based on first law and second law of thermodynamics. Hot water is selected as the representative of low-temperature waste heat sources for researching. The heat source temperature, ambient air temperature and area of heat transfer are examined to evaluate their effects on the system performance such as velocity of updraft, mass flow rate of air, power output, conversion efficiency, and exergy efficiency. The velocity of air demonstrates a better stability than the mass flow rate of air and the pressure difference when temperature of heat source, ambient air temperature or area of heat transfer changes

High energy lithium-oxygen batteries - Transport barriers and thermodynamics

KAUST Repository

Das, Shyamal K.

2012-01-01

We show that it is possible to achieve higher energy density lithium-oxygen batteries by simultaneously lowering the discharge overpotential and increasing the discharge capacity via thermodynamic variables alone. By assessing the relative effects of temperature and pressure on the cell discharge profiles, we characterize and diagnose the critical roles played by multiple dynamic processes that have hindered implementation of the lithium-oxygen battery. © 2012 The Royal Society of Chemistry.

Thermodynamic properties of deep eutectic solvent and ionic liquid mixtures at temperatures from 293.15 K to 343.15 K

Science.gov (United States)

Achsah, R. S.; Shyam, S.; Mayuri, N.; Anantharaj, R.

2018-04-01

Deep eutectic solvents (DES) and ionic liquids (ILs) have their applications in various fields of research and in industries due to their attractive physiochemical properties. In this study, the combined thermodynamic properties of DES (choline chloride-glycerol) + IL1 (1-butyl-3-methylimiazolium acetate) and DES(choline chloride-glycerol) + IL2 (1-ethyl-3-methylimadzolium ethyl sulphate) have been studied. The thermodynamic properties such as excess molar volume, partial molar volume, excess partial molar volume and apparent molar volume were calculated for different mole fractions ranging from 0 to 1 and varying temperatures from 293.15 K to 343.15 K. In order to know the solvent properties of DESs and ILs mixtures at different temperatures and their molecular interactions to enhance the solvent performance and process efficiency at fixed composition and temperature the thermodynamic properties were analyzed.

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

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...

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...

Thermomechanical and calorimetric behaviours of supported glass-forming films: A study based on thermodynamics with internal variables

Energy Technology Data Exchange (ETDEWEB)

Lion, Alexander, E-mail: alexander.lion@unibw.de; Engelhard, Marco; Johlitz, Michael

2012-11-01

In order to understand the temperature-dependent response behaviour of thin thermoviscoelastic films which are deposited on relative stiff but thermally deformable substrates it is important to consider the lateral geometric constraints. They are generated by differences in the thermal expansion properties between the substrate and the film and provoke internal stresses. Since glass-forming materials exhibit distinct temperature history-dependent thermal expansion and calorimetric properties, primarily in the vicinity of the glass transition, the situation is rather complicated. In this article, a recently developed three-dimensional model of thermodynamics with internal variables is applied and adapted to simulate this type of behaviour. Explicit relations are obtained for the specific heat of the film, the normal strain and the lateral stresses. Numerical simulations demonstrate that the magnitude of the internal stress at temperatures below the glass transition depends strongly on the cooling rate. It is also shown that the specific heat of the supported film is principally different from the isobaric specific heat of the bulk material: the glassy limit of the specific heat of the film is reduced but the glass transition temperature is almost uninfluenced. The simulated behaviour is in accordance with experimental observations from literature. - Highlights: Black-Right-Pointing-Pointer For the specific heat, stress and strain of the film, explicit equations were derived. Black-Right-Pointing-Pointer The constraints of the substrate reduce the glassy limit of specific heat of the film. Black-Right-Pointing-Pointer Glass transition temperatures of free bulk material and supported film are equal. Black-Right-Pointing-Pointer Simulations are in good agreement with experimental observations from literature.

Thermodynamic analysis of a binary power cycle for different EGS geofluid temperatures

International Nuclear Information System (INIS)

Zhang Fuzen; Jiang Peixe

2012-01-01

Enhanced Geothermal Systems show promise for meeting growing energy demands. The Organic Rankine Cycle (ORC) can be used to convert low and medium-temperature geothermal energy to electricity, but the working fluid must be carefully selected for the ORC system design. This paper compares the system performance using R134a, isobutane, R245fa and isopentane for four typical geofluid temperatures below 200 °C. Three type (subcritical, superheated and transcritical) power generation cycles and two heat transfer control models (total heat control model and vaporization control model) are used for different EGS source temperatures and working fluids. This paper presents a basic analysis method to select the most suitable working fluid and to optimize the operating and design parameters for a given EGS resource based on the thermodynamics. - Highlights: ► We present a method to selecting working fluids for EGS resources. ► Working fluids with critical temperatures near geofluid temperature is priority. ► Operating conditions requiring use of total heat control model give good behave. ► Transcritical cycle is good choice.

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

Variable-speed-of-light cosmology and second law of thermodynamics

International Nuclear Information System (INIS)

Youm, Donam

2002-01-01

We examine whether cosmologies with a varying speed of light (VSL) are compatible with the second law of thermodynamics. We find that the VSL cosmology with a varying fundamental constant is severely constrained by the second law of thermodynamics, whereas the bimetric cosmological models are less constrained

Variable-speed-of-light cosmology and second law of thermodynamics

International Nuclear Information System (INIS)

Youm, Donam

2002-03-01

We examine whether the cosmologies with varying speed of light (VSL) are compatible with the second law of thermodynamics. We find that the VSL cosmology with varying fundamental constant is severely constrained by the second law of thermodynamics, whereas the bimetric cosmological models are less constrained. (author)

Indirect determination of the thermodynamic temperature of the copper point by a multi-fixed-point technique

Science.gov (United States)

Battuello, M.; Florio, M.; Girard, F.

2010-06-01

An indirect determination of the thermodynamic temperature of the fixed point of copper was made at INRIM by measuring four cells with a Si-based and an InGaAs-based precision radiation thermometer carrying approximated thermodynamic scales realized up to the Ag point. An average value TCu = 1357.840 K was found with a standard uncertainty of 0.047 K. A consequent (T - T90)Cu value of 70 mK can be derived which is 18 mK higher than, but consistent with, the presently available (T - T90)Cu as elaborated by the CCT-WG4.

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.

Determining Membrane Protein-Lipid Binding Thermodynamics Using Native Mass Spectrometry.

Science.gov (United States)

Cong, Xiao; Liu, Yang; Liu, Wen; Liang, Xiaowen; Russell, David H; Laganowsky, Arthur

2016-04-06

Membrane proteins are embedded in the biological membrane where the chemically diverse lipid environment can modulate their structure and function. However, the thermodynamics governing the molecular recognition and interaction of lipids with membrane proteins is poorly understood. Here, we report a method using native mass spectrometry (MS), to determine thermodynamics of individual ligand binding events to proteins. Unlike conventional methods, native MS can resolve individual ligand binding events and, coupled with an apparatus to control the temperature, determine binding thermodynamic parameters, such as for protein-lipid interactions. We validated our approach using three soluble protein-ligand systems (maltose binding protein, lysozyme, and nitrogen regulatory protein) and obtained similar results to those using isothermal titration calorimetry and surface plasmon resonance. We also determined for the first time the thermodynamics of individual lipid binding to the ammonia channel (AmtB), an integral membrane protein from Escherichia coli. Remarkably, we observed distinct thermodynamic signatures for the binding of different lipids and entropy-enthalpy compensation for binding lipids of variable chain length. Additionally, using a mutant form of AmtB that abolishes a specific phosphatidylglycerol (PG) binding site, we observed distinct changes in the thermodynamic signatures for binding PG, implying these signatures can identify key residues involved in specific lipid binding and potentially differentiate between specific lipid binding sites.

Thermodynamic relations in high temperature and high pressure physics of solids

International Nuclear Information System (INIS)

Kumar, Munish

1998-01-01

Various possible simple relations based on the exact and approximate thermodynamic relations are derived. These relations can be used to investigate the variation of unit cell volume under the effect of pressure and temperature. Thermal expansivity and compressibility can be investigated directly at any pressure or temperature, or through the knowledge of equation of state (EOS). A relation to determine Anderson-Grueneisen parameter δ T under the effect of pressure is predicted. It is discussed that δ T is independent of pressure and thus Murnaghan equation of state works well in low pressure ranges, while the variation of δ T under high pressure should be taken into account. The product of coefficient of volume thermal expansion and bulk modulus remains constant, is correct at high pressure, provided that the pressure dependence of δ T is considered. (author)

Stability and fluctuations in black hole thermodynamics

International Nuclear Information System (INIS)

Ruppeiner, George

2007-01-01

I examine thermodynamic fluctuations for a Kerr-Newman black hole in an extensive, infinite environment. This problem is not strictly solvable because full equilibrium with such an environment cannot be achieved by any black hole with mass M, angular momentum J, and charge Q. However, if we consider one (or two) of M, J, or Q to vary so slowly compared with the others that we can regard it as fixed, instances of stability occur, and thermodynamic fluctuation theory could plausibly apply. I examine seven cases with one, two, or three independent fluctuating variables. No knowledge about the thermodynamic behavior of the environment is needed. The thermodynamics of the black hole is sufficient. Let the fluctuation moment for a thermodynamic quantity X be √( 2 >). Fluctuations at fixed M are stable for all thermodynamic states, including that of a nonrotating and uncharged environment, corresponding to average values J=Q=0. Here, the fluctuation moments for J and Q take on maximum values. That for J is proportional to M. For the Planck mass it is 0.3990(ℎ/2π). That for Q is 3.301e, independent of M. In all cases, fluctuation moments for M, J, and Q go to zero at the limit of the physical regime, where the temperature goes to zero. With M fluctuating there are no stable cases for average J=Q=0. But, there are transitions to stability marked by infinite fluctuations. For purely M fluctuations, this coincides with a curve which Davies identified as a phase transition

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

International Nuclear Information System (INIS)

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

1978-01-01

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

Confidence interval of intrinsic optimum temperature estimated using thermodynamic SSI model

Institute of Scientific and Technical Information of China (English)

Takaya Ikemoto; Issei Kurahashi; Pei-Jian Shi

2013-01-01

The intrinsic optimum temperature for the development of ectotherms is one of the most important factors not only for their physiological processes but also for ecological and evolutional processes.The Sharpe-Schoolfield-Ikemoto (SSI) model succeeded in defining the temperature that can thermodynamically meet the condition that at a particular temperature the probability of an active enzyme reaching its maximum activity is realized.Previously,an algorithm was developed by Ikemoto (Tropical malaria does not mean hot environments.Journal of Medical Entomology,45,963-969) to estimate model parameters,but that program was computationally very time consuming.Now,investigators can use the SSI model more easily because a full automatic computer program was designed by Shi et al.(A modified program for estimating the parameters of the SSI model.Environmental Entomology,40,462-469).However,the statistical significance of the point estimate of the intrinsic optimum temperature for each ectotherm has not yet been determined.Here,we provided a new method for calculating the confidence interval of the estimated intrinsic optimum temperature by modifying the approximate bootstrap confidence intervals method.For this purpose,it was necessary to develop a new program for a faster estimation of the parameters in the SSI model,which we have also done.

A thermodynamic framework for understanding temperature sensing by transient receptor potential (TRP) channels.

Science.gov (United States)

Clapham, David E; Miller, Christopher

2011-12-06

The exceptionally high temperature sensitivity of certain transient receptor potential (TRP) family ion channels is the molecular basis of hot and cold sensation in sensory neurons. The laws of thermodynamics dictate that opening of these specialized TRP channels must involve an unusually large conformational standard-state enthalpy, ΔH(o): positive ΔH(o) for heat-activated and negative ΔH(o) for cold-activated TRPs. However, the molecular source of such high-enthalpy changes has eluded neurobiologists and biophysicists. Here we offer a general, unifying mechanism for both hot and cold activation that recalls long-appreciated principles of protein folding. We suggest that TRP channel gating is accompanied by large changes in molar heat capacity, ΔC(P). This postulate, along with the laws of thermodynamics and independent of mechanistic detail, leads to the conclusion that hot- and cold-sensing TRPs operate by identical conformational changes.

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.

Thermodynamic modelling of a recompression CO_2 power cycle for low temperature waste heat recovery

International Nuclear Information System (INIS)

Banik, Shubham; Ray, Satyaki; De, Sudipta

2016-01-01

Highlights: • Thermodynamic model for recompression T-CO_2 is developed. • Energetic and exergetic analysis compared with S-CO_2 and Reg. Brayton cycle. • Maximum efficiency of 13.6% is obtained for T-CO_2 cycle. • Optimum recompression ratio of 0.48 is obtained for minimum irreversibility. • Reg. Brayton has better efficiency, T-CO_2 offers minimum irreversibility. - Abstract: Due to the rising prices of conventional fossil fuels, increasing the overall thermal efficiency of a power plant is essential. One way of doing this is waste heat recovery. This recovery is most difficult for low temperature waste heat, below 240 °C, which also covers majority of the waste heat source. Carbon dioxide, with its low critical temperature and pressure, offers an advantage over ozone-depleting refrigerants used in Organic Rankine Cycles (ORCs) and hence is most suitable for the purpose. This paper introduces parametric optimization of a transcritical carbon dioxide (T-CO_2) power cycle which recompresses part of the total mass flow of working fluid before entering the precooler, thereby showing potential for higher cycle efficiency. Thermodynamic model for a recompression T-CO_2 power cycle has been developed with waste heat source of 2000 kW and at a temperature of 200 °C. Results obtained from this model are analysed to estimate effects on energetic and exergetic performances of the power cycle with varying pressure and mass recompression ratio. Higher pressure ratio always improves thermodynamic performance of the cycle – both energetic and exergetic. Higher recompression ratio also increases exergetic efficiency of the cycle. However, it increases energy efficiency, only if precooler inlet temperature remains constant. Maximum thermal efficiency of the T-CO_2 cycle with a recompression ratio of 0.26 has been found to be 13.6%. To minimize total irreversibility of the cycle, an optimum ratio of 0.48 was found to be suitable.

Thermodynamic and lattice parameter calculation of TiC x produced from Al-Ti-C powders by laser igniting self-propagating high-temperature synthesis

International Nuclear Information System (INIS)

Li, Y.X.; Hu, J.D.; Wang, H.Y.; Guo, Z.X.; Chumakov, A.N.

2007-01-01

TiC x has been formed by self-propagating high-temperature synthesis (SHS) from elemental powder mixtures with a range of C/Ti ratios. The combusting behavior of the powder mixtures was investigated. The effect of the processing variables on the lattice parameter and the composition of TiC were examined. The results show that lattice parameters of TiC x increase with the increase of C/Ti ratio. The variation of Gibbs free energy in Al-Ti-C system was studied based on the thermodynamics theory. The results show that TiC and Al 3 Ti phases are easier to form than Al 4 C 3 phase

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

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.

Contribution of solar radiation to decadal temperature variability over land.

Science.gov (United States)

Wang, Kaicun; Dickinson, Robert E

2013-09-10

Global air temperature has become the primary metric for judging global climate change. The variability of global temperature on a decadal timescale is still poorly understood. This paper examines further one suggested hypothesis, that variations in solar radiation reaching the surface (Rs) have caused much of the observed decadal temperature variability. Because Rs only heats air during the day, its variability is plausibly related to the variability of diurnal temperature range (daily maximum temperature minus its minimum). We show that the variability of diurnal temperature range is consistent with the variability of Rs at timescales from monthly to decadal. This paper uses long comprehensive datasets for diurnal temperature range to establish what has been the contribution of Rs to decadal temperature variability. It shows that Rs over land globally peaked in the 1930s, substantially decreased from the 1940s to the 1970s, and changed little after that. Reduction of Rs caused a reduction of more than 0.2 °C in mean temperature during May to October from the 1940s through the 1970s, and a reduction of nearly 0.2 °C in mean air temperature during November to April from the 1960s through the 1970s. This cooling accounts in part for the near-constant temperature from the 1930s into the 1970s. Since then, neither the rapid increase in temperature from the 1970s through the 1990s nor the slowdown of warming in the early twenty-first century appear to be significantly related to changes of Rs.

Kiloampere, Variable-Temperature, Critical-Current Measurements of High-Field Superconductors.

Science.gov (United States)

Goodrich, L F; Cheggour, N; Stauffer, T C; Filla, B J; Lu, X F

2013-01-01

We review variable-temperature, transport critical-current (I c) measurements made on commercial superconductors over a range of critical currents from less than 0.1 A to about 1 kA. We have developed and used a number of systems to make these measurements over the last 15 years. Two exemplary variable-temperature systems with coil sample geometries will be described: a probe that is only variable-temperature and a probe that is variable-temperature and variable-strain. The most significant challenge for these measurements is temperature stability, since large amounts of heat can be generated by the flow of high current through the resistive sample fixture. Therefore, a significant portion of this review is focused on the reduction of temperature errors to less than ±0.05 K in such measurements. A key feature of our system is a pre-regulator that converts a flow of liquid helium to gas and heats the gas to a temperature close to the target sample temperature. The pre-regulator is not in close proximity to the sample and it is controlled independently of the sample temperature. This allows us to independently control the total cooling power, and thereby fine tune the sample cooling power at any sample temperature. The same general temperature-control philosophy is used in all of our variable-temperature systems, but the addition of another variable, such as strain, forces compromises in design and results in some differences in operation and protocol. These aspects are analyzed to assess the extent to which the protocols for our systems might be generalized to other systems at other laboratories. Our approach to variable-temperature measurements is also placed in the general context of measurement-system design, and the perceived advantages and disadvantages of design choices are presented. To verify the accuracy of the variable-temperature measurements, we compared critical-current values obtained on a specimen immersed in liquid helium ("liquid" or I c liq) at 5

A thermodynamically consistent quasi-particle model without temperature-dependent infinity of the vacuum zero point energy

International Nuclear Information System (INIS)

Cao Jing; Jiang Yu; Sun Weimin; Zong Hongshi

2012-01-01

In this Letter, an improved quasi-particle model is presented. Unlike the previous approach of establishing quasi-particle model, we introduce a classical background field (it is allowed to depend on the temperature) to deal with the infinity of thermal vacuum energy which exists in previous quasi-particle models. After taking into account the effect of this classical background field, the partition function of quasi-particle system can be made well-defined. Based on this and following the standard ensemble theory, we construct a thermodynamically consistent quasi-particle model without the need of any reformulation of statistical mechanics or thermodynamical consistency relation. As an application of our model, we employ it to the case of (2+1) flavor QGP at zero chemical potential and finite temperature and obtain a good fit to the recent lattice simulation results of Borsányi et al. A comparison of the result of our model with early calculations using other models is also presented. It is shown that our method is general and can be generalized to the case where the effective mass depends not only on the temperature but also on the chemical potential.

The land/ocean temperature contrast in natural variability

OpenAIRE

Tyrrell, Nicholas Luke

2017-01-01

In global warming scenarios, global land surface temperatures (T_land) warm with greater amplitude than sea surface temperatures (SSTs), leading to a land/ocean warming temperature contrast. This land/ocean contrast is not only due to the different heat capacities of the land and ocean as it exists for transient and equilibrium scenarios. Similarly, the interannual variability of T_land is larger than the covariant interannual SST variability, leading to a land/ocean ...

Prediction of high-temperature point defect formation in TiO2 from combined ab initio and thermodynamic calculations

International Nuclear Information System (INIS)

He, J.; Behera, R.K.; Finnis, M.W.; Li, X.; Dickey, E.C.; Phillpot, S.R.; Sinnott, S.B.

2007-01-01

A computational approach that integrates ab initio electronic structure and thermodynamic calculations is used to determine point defect stability in rutile TiO 2 over a range of temperatures, oxygen partial pressures and stoichiometries. Both donors (titanium interstitials and oxygen vacancies) and acceptors (titanium vacancies) are predicted to have shallow defect transition levels in the electronic-structure calculations. The resulting defect formation energies for all possible charge states are then used in thermodynamic calculations to predict the influence of temperature and oxygen partial pressure on the relative stabilities of the point defects. Their ordering is found to be the same as temperature increases and oxygen partial pressure decreases: titanium vacancy → oxygen vacancy → titanium interstitial. The charges on these defects, however, are quite sensitive to the Fermi level. Finally, the combined formation energies of point defect complexes, including Schottky, Frenkel and anti-Frenkel defects, are predicted to limit the further formation of point defects

Thermodynamics of Crystalline States

CERN Document Server

Fujimoto, Minoru

2010-01-01

Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattices, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. This book is divided into three parts. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. In the third part, the multi-electron system is discussed theoretically, as a quantum-mechanical example, for the superconducting state in metallic crystals. Throughout the book, the role played by the lattice is emphasized and examined in-depth. Thermodynamics of Crystalline States is an introductory treatise and textbook on meso...

Thermodynamic treatment of nonphysical systems: formalism and an example (single-lane traffic)

International Nuclear Information System (INIS)

Reiss, H.; Hammerich, A.D.; Montroll, E.W.

1986-01-01

An effort is made to introduce thermodynamic and statistical thermodynamic methods into the treatment of nonphysical (e.g., social, economic, etc.) systems. Emphasis is placed on the use of the entire thermodynamic framework, not merely entropy. Entropy arises naturally, related in a simple manner to other measurables, but does not occupy a primary position in the theory. However, the maximum entropy formalism is a convenient procedure for deriving the thermodynamic analog framework in which undetermined multipliers are thermodynamic-like variables which summarize the collective behavior of the system. The authors discuss the analysis of Levine and his coworkers showing that the maximum entropy formalism is the unique algorithm for achieving consistent inference of probabilities. The thermodynamic-like formalism for treating a single lane of vehicular traffic is developed and applied to traffic in which the interaction between cars is chosen to be a particular form of the ''follow-the-leader'' type. The equation of state of the traffic, the distributions of velocity and headway, and the various thermodynamic-like parameters, e.g., temperature (collective sensitivity), pressure, etc. are determined for the example of the Holland Tunnel. Nearest-neighbor and pair correlation functions for the vehicles are also determined. Interesting and suggestive results are obtained

Variability in Measured Space Temperatures in 60 Homes

Energy Technology Data Exchange (ETDEWEB)

Roberts, D.; Lay, K.

2013-03-01

This report discusses the observed variability in indoor space temperature in a set of 60 homes located in Florida, New York, Oregon, and Washington. Temperature data were collected at 15-minute intervals for an entire year, including living room, master bedroom, and outdoor air temperature (Arena, et. al). The data were examined to establish the average living room temperature for the set of homes for the heating and cooling seasons, the variability of living room temperature depending on climate, and the variability of indoor space temperature within the homes. The accuracy of software-based energy analysis depends on the accuracy of input values. Thermostat set point is one of the most influential inputs for building energy simulation. Several industry standards exist that recommend differing default thermostat settings for heating and cooling seasons. These standards were compared to the values calculated for this analysis. The data examined for this report show that there is a definite difference between the climates and that the data do not agree well with any particular standard.

Thermodynamics. Vol. II. Proceedings of the Symposium on Thermodynamics with Emphasis on Nuclear Materials and Atomic Transport in Solids

International Nuclear Information System (INIS)

1966-01-01

Knowledge of the thermodynamics of nuclear materials is vital to the design of reactor fuels and moderating and cooling systems, in fact all facets of nuclear plant operation that involve mixtures of, or contact between, two or more elements in single- or multi-phase systems. The steep thermal gradients and the high temperatures involved in nuclear technology pose special problems for engineers and thermodynamicists, who have found that extrapolation of low-temperature data to high temperatures very often proves invalid. For this reason, standard thermodynamic techniques such as calorimetry and EMF-methods have been extended into high-temperature regions. Since the Agency's last conference on this subject, also held in Vienna (Thermodynamics of Nuclear Materials, 1962), there have been notable advances in calorimetry performed at temperatures greater than 1000°C, and in the use of EMF cells with solid electrolytes operated at similar temperatures. Significant advances have also been made in measuring diffusion parameters at the higher temperatures. An important field covered in this Symposium was the correlation of such atomic transport data with thermodynamic data, a prerequisite if the nuclear engineer is to incorporate diffusion results into his normal process- assessment techniques. Finally the Symposium suggested the requirements for good critical tables. The mere compiling of such data is no longer sufficient; the compiler must have free access to all the data of a particular experiment, he must have an intimate knowledge of experimental work in this field and he must weight every figure quoted in the light of his experience. As a step in this direction, the Agency has called on the services of many well-known experts and is preparing a number of monographs giving critical assessments of thermodynamic data and phase-diagrams for many of the elements of interest in reactor design. Most of the countries engaged in research in thermodynamics were represented at

Thermodynamics. Vol. II. Proceedings of the Symposium on Thermodynamics with Emphasis on Nuclear Materials and Atomic Transport in Solids

Energy Technology Data Exchange (ETDEWEB)

NONE

1966-02-15

Knowledge of the thermodynamics of nuclear materials is vital to the design of reactor fuels and moderating and cooling systems, in fact all facets of nuclear plant operation that involve mixtures of, or contact between, two or more elements in single- or multi-phase systems. The steep thermal gradients and the high temperatures involved in nuclear technology pose special problems for engineers and thermodynamicists, who have found that extrapolation of low-temperature data to high temperatures very often proves invalid. For this reason, standard thermodynamic techniques such as calorimetry and EMF-methods have been extended into high-temperature regions. Since the Agency's last conference on this subject, also held in Vienna (Thermodynamics of Nuclear Materials, 1962), there have been notable advances in calorimetry performed at temperatures greater than 1000 Degree-Sign C, and in the use of EMF cells with solid electrolytes operated at similar temperatures. Significant advances have also been made in measuring diffusion parameters at the higher temperatures. An important field covered in this Symposium was the correlation of such atomic transport data with thermodynamic data, a prerequisite if the nuclear engineer is to incorporate diffusion results into his normal process- assessment techniques. Finally the Symposium suggested the requirements for good critical tables. The mere compiling of such data is no longer sufficient; the compiler must have free access to all the data of a particular experiment, he must have an intimate knowledge of experimental work in this field and he must weight every figure quoted in the light of his experience. As a step in this direction, the Agency has called on the services of many well-known experts and is preparing a number of monographs giving critical assessments of thermodynamic data and phase-diagrams for many of the elements of interest in reactor design. Most of the countries engaged in research in thermodynamics were

Thermodynamics. Vol. I. Proceedings of the Symposium on Thermodynamics with Emphasis on Nuclear Materials and Atomic Transports in Solids

Energy Technology Data Exchange (ETDEWEB)

NONE

1966-01-15

Knowledge of the thermodynamics of nuclear materials is vital to the design of reactor fuels and moderating and cooling systems, in fact all facets of nuclear plant operation that involve mixtures of, or contact between, two or more elements in single- or multi-phase systems. The steep thermal gradients and the high temperatures involved in nuclear technology pose special problems for engineers and thermodynamicists, who have found that extrapolation of low-temperature data to high temperatures very often proves invalid. For this reason, standard thermodynamic techniques such as calorimetry and EMF-methods have been extended into high-temperature regions. Since the Agency's last conference on this subject, also held in Vienna (Thermodynamics of Nuclear Materials, 1962), there have been notable advances in calorimetry performed at temperatures greater than 1000 Degree-Sign C, and in the use of EMF cells with solid electrolytes operated at similar temperatures. Significant advances have also been made in measuring diffusion parameters at the higher temperatures. An important field covered in this Symposium was the correlation of such atomic transport data with thermodynamic data, a prerequisite if the nuclear engineer is to incorporate diffusion results into his normal process- assessment techniques. Finally the Symposium suggested the requirements for good critical tables. The mere compiling of such data is no longer sufficient; the compiler must have free access to all the data of a particular experiment, he must have an intimate knowledge of experimental work in this field and he must weight every figure quoted in the light of his experience. As a step in this direction, the Agency has called on the services of many well-known experts and is preparing a number of monographs giving critical assessments of thermodynamic data and phase-diagrams for many of the elements of interest in reactor design. Most of the countries engaged in research in thermodynamics were

THEREDA. Thermodynamic reference data base. Phase II. Release of thermodynamic data. Summary and final report; THEREDA. Thermodynamische Referenz-Datenbasis. Phase II. Freigabe thermodynamischer Daten. Zusammenfassung der Abschlussberichte

Energy Technology Data Exchange (ETDEWEB)

Altmaier, Marcus; Gaona, Xavier; Marquardt, Christian; Montoya, Vanessa [Karlsruher Institut fuer Technologie (KIT), Eggenstein-Leopoldshafen (Germany). Institut fuer Nukleare Entsorgung; Bok, Frank; Richter, Anke [Helmholtz-Zentrum Dresden-Rossendorf e.V., Dresden (Germany). Inst. of Resource Ecology; Moog, Helge C.; Scharge, Tina [Gesellschaft fuer Anlagen- und Reaktorsicherheit mbH (GRS), Koeln (Germany); Voigt, Wolfgang [Technische Univ. Bergakademie Freiberg (Germany); Wilhelm, Stefan [AF Consult AG, Baden-Daettwil (Switzerland)

2015-12-15

The final report on the thermodynamic reference data base THEREDA covers the following issues: project management, quality management (Helmholtz-Zentrum Dresden-Rossendorf HZDR and GRS), data base interfaces, documentation, uranium (HZDR), other nuclides (Karlsruhe Institute for technology, KIT), data for cement minerals and their reaction products (AF-Consult, GRS), phosphate (GRS), systems with CO2 and carbonate at variable temperatures and pressure (Bergakademie Freiberg, TUBAF).

Thermodynamic diagrams for high temperature plasmas of air, air-carbon, carbon-hydrogen mixtures, and argon

CERN Document Server

Kroepelin, H; Hoffmann, K-U

2013-01-01

Thermodynamic Diagrams for High Temperature Plasmas of Air, Air-Carbon, Carbon-Hydrogen Mixtures, and Argon provides information relating to the properties of equilibrium gas plasmas formed from hydrocarbons, from air without argon, from pure argon, and from mixtures of air and carbon at various compositions, temperatures and pressures. The data are presented in graphical rather than tabular form to provide a clearer picture of the plasma processes investigated. This book is composed of four chapters, and begins with the introduction to the characteristics of plasmas, with emphasis on their th

Performance analysis for an irreversible variable temperature heat reservoir closed intercooled regenerated Brayton cycle

International Nuclear Information System (INIS)

Wang Wenhua; Chen Lingen; Sun Fengrui; Wu Chih

2003-01-01

In this paper, the theory of finite time thermodynamics is used in the performance analysis of an irreversible closed intercooled regenerated Brayton cycle coupled to variable temperature heat reservoirs. The analytical formulae for dimensionless power and efficiency, as functions of the total pressure ratio, the intercooling pressure ratio, the component (regenerator, intercooler, hot and cold side heat exchangers) effectivenesses, the compressor and turbine efficiencies and the thermal capacity rates of the working fluid and the heat reservoirs, the pressure recovery coefficients, the heat reservoir inlet temperature ratio, and the cooling fluid in the intercooler and the cold side heat reservoir inlet temperature ratio, are derived. The intercooling pressure ratio is optimized for optimal power and optimal efficiency, respectively. The effects of component (regenerator, intercooler and hot and cold side heat exchangers) effectivenesses, the compressor and turbine efficiencies, the pressure recovery coefficients, the heat reservoir inlet temperature ratio and the cooling fluid in the intercooler and the cold side heat reservoir inlet temperature ratio on optimal power and its corresponding intercooling pressure ratio, as well as optimal efficiency and its corresponding intercooling pressure ratio are analyzed by detailed numerical examples. When the heat transfers between the working fluid and the heat reservoirs are executed ideally, the pressure drop losses are small enough to be neglected and the thermal capacity rates of the heat reservoirs are infinite, the results of this paper replicate those obtained in recent literature

Variable effects of temperature on insect herbivory

Directory of Open Access Journals (Sweden)

Nathan P. Lemoine

2014-05-01

Full Text Available Rising temperatures can influence the top-down control of plant biomass by increasing herbivore metabolic demands. Unfortunately, we know relatively little about the effects of temperature on herbivory rates for most insect herbivores in a given community. Evolutionary history, adaptation to local environments, and dietary factors may lead to variable thermal response curves across different species. Here we characterized the effect of temperature on herbivory rates for 21 herbivore-plant pairs, encompassing 14 herbivore and 12 plant species. We show that overall consumption rates increase with temperature between 20 and 30 °C but do not increase further with increasing temperature. However, there is substantial variation in thermal responses among individual herbivore-plant pairs at the highest temperatures. Over one third of the herbivore-plant pairs showed declining consumption rates at high temperatures, while an approximately equal number showed increasing consumption rates. Such variation existed even within herbivore species, as some species exhibited idiosyncratic thermal response curves on different host plants. Thus, rising temperatures, particularly with respect to climate change, may have highly variable effects on plant-herbivore interactions and, ultimately, top-down control of plant biomass.

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)

Thermodynamics of an Attractive 2D Fermi Gas

Science.gov (United States)

Fenech, K.; Dyke, P.; Peppler, T.; Lingham, M. G.; Hoinka, S.; Hu, H.; Vale, C. J.

2016-01-01

Thermodynamic properties of matter are conveniently expressed as functional relations between variables known as equations of state. Here we experimentally determine the compressibility, density, and pressure equations of state for an attractive 2D Fermi gas in the normal phase as a function of temperature and interaction strength. In 2D, interacting gases exhibit qualitatively different features to those found in 3D. This is evident in the normalized density equation of state, which peaks at intermediate densities corresponding to the crossover from classical to quantum behavior.

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.

Thermodynamic analysis into a heat exchanger for absorption at high temperatures

International Nuclear Information System (INIS)

Márquez-Nolasco, A.; Huicochea, A.; Torres-Merino, J.; Siqueiros, J.; Hernández, J.A.

2016-01-01

Highlights: • Energy and exergy analyses for split absorber inside an AHT were developed. • The coefficient of operation for energy and exergy were improved above 30%. • A split absorber can reduce the irreversibility up to 28%. - Abstract: The residual heat or renewable energy can be used to activate a thermodynamic cycle inside a heat transformer by absorption (AHT), in order to obtain heat with a higher temperature in whole equipment. The performance of the AHT is mainly influenced by the absorber, since the useful heat is obtained here at different operating conditions. According to this study, a split absorber can improve the performance of the AHT because of the existing absorption processes in accordance with the first and second law of thermodynamics. The proposal is to divide the heat transfer area in equal sections, where the steam supplied is equal and the strong working solution is increased for all sections, in order to diminish the irreversibility in the absorber. With respect to the basic absorber, the best results are found when the absorber has two sections, because COP can be improved from 0.307 to 0.415, while the ECOP from 0.118 to 0.160, besides the irreversibility can reduce up to almost 28%.

The finite-temperature thermodynamics of a trapped unitary Fermi gas within fractional exclusion statistics

International Nuclear Information System (INIS)

Qin Fang; Chen Jisheng

2010-01-01

We utilize the fractional exclusion statistics of the Haldane and Wu hypothesis to study the thermodynamics of a unitary Fermi gas trapped in a harmonic oscillator potential at ultra-low finite temperature. The entropy per particle as a function of the energy per particle and energy per particle versus rescaled temperature are numerically compared with the experimental data. The study shows that, except the chemical potential behaviour, there exists a reasonable consistency between the experimental measurement and theoretical attempt for the entropy and energy per particle. In the fractional exclusion statistics formalism, the behaviour of the isochore heat capacity for a trapped unitary Fermi gas is also analysed.

Thermodynamic Temperatures of the Triple Points of Mercury and Gallium and in the Interval 217 K to 303 K

OpenAIRE

Moldover, M. R.; Boyes, S. J.; Meyer, C. W.; Goodwin, A. R. H.

1999-01-01

We measured the acoustic resonance frequencies of an argon-filled spherical cavity and the microwave resonance frequencies of the same cavity when evacuated. The microwave data were used to deduce the thermal expansion of the cavity and the acoustic data were fitted to a temperature-pressure surface to deduce zero-pressure speed-of-sound ratios. The ratios determine (T?T 90), the difference between the Kelvin thermodynamic temperature T and the temperature on the International Temperature Sca...

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 approach to the synthesis of silicon carbide using tetramethylsilane as the precursor at high temperature

Science.gov (United States)

Jeong, Seong-Min; Kim, Kyung-Hun; Yoon, Young Joon; Lee, Myung-Hyun; Seo, Won-Seon

2012-10-01

Tetramethylsilane (TMS) is commonly used as a precursor in the production of SiC(β) films at relatively low temperatures. However, because TMS contains much more C than Si, it is difficult to produce solid phase SiC at high temperatures. In an attempt to develop a more efficient TMS-based SiC(α) process, computational thermodynamic simulations were performed under various temperatures, working pressures and TMS/H2 ratios. The findings indicate that each solid phase has a different dependency on the H2 concentration. Consequently, a high H2 concentration results in the formation of a single, solid phase SiC region at high temperatures. Finally, TMS appears to be useful as a precursor for the high temperature production of SiC(α).

Observed Decrease of North American Winter Temperature Variability

Science.gov (United States)

Rhines, A. N.; Tingley, M.; McKinnon, K. A.; Huybers, P. J.

2015-12-01

There is considerable interest in determining whether temperature variability has changed in recent decades. Model ensembles project that extratropical land temperature variance will detectably decrease by 2070. We use quantile regression of station observations to show that decreasing variability is already robustly detectable for North American winter during 1979--2014. Pointwise trends from GHCND stations are mapped into a continuous spatial field using thin-plate spline regression, resolving small-scales while providing uncertainties accounting for spatial covariance and varying station density. We find that variability of daily temperatures, as measured by the difference between the 95th and 5th percentiles, has decreased markedly in winter for both daily minima and maxima. Composites indicate that the reduced spread of winter temperatures primarily results from Arctic amplification decreasing the meridional temperature gradient. Greater observed warming in the 5th relative to the 95th percentile stems from asymmetric effects of advection during cold versus warm days; cold air advection is generally from northerly regions that have experienced greater warming than western or southwestern regions that are generally sourced during warm days.

Extremely low temperature behaviour of the thermodynamical properties of gaseous UF6 under an exact quantum approach

International Nuclear Information System (INIS)

Amarante, J.A.A. do.

1979-10-01

The thermodynamic functions of molecules of type XF 6 are calculated under an exact quantum-mechanical approach, which also yields general expressions valid for other types of molecules. The formalism is used to analyse the behavior of gaseous UF 6 at very low temperatures (around and below 1 0 K), where symmetry effects due to Pauli principle lead to results which are very markedly different from those obtained with the semi-classical approximation. It is shown that this approximation becomes sufficiently accurate only for temperatures about ten times the rotational temperature. (Author) [pt

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 MODEL AND VISCOSITY OF SELECTED ZIRCONIA CONTAINING SILICATE GLASSES

Directory of Open Access Journals (Sweden)

MÁRIA CHROMČÍKOVÁ

2013-03-01

Full Text Available The compositional dependence of viscosity, and viscous flow activation energy of glasses with composition xNa2O∙(15-x K2O∙yCaO∙(10-yZnO∙zZrO2∙(75-zSiO2 (x = 0, 7.5, 15; y = 0, 5, 10; z = 0, 1, 3, 5, 7 was analyzed. The studied glasses were described by the thermodynamic model of Shakhmatkin and Vedishcheva considering the glass as an equilibrium ideal solution of species with stoichiometry given by the composition of stable crystalline phases of respective glass forming system. Viscosity-composition relationships were described by the regression approach considering the viscous flow activation energy and the particular isokome temperature as multilinear function of equilibrium molar amounts of system components. The classical approach where the mole fractions of individual oxides are considered as independent variables was compared with the thermodynamic model. On the basis of statistical analysis there was proved that the thermodynamic model is able to describe the composition property relationships with higher reliability. Moreover, due its better physical justification, thermodynamic model can be even used for predictive purposes.

Molecular thermodynamics using fluctuation solution theory

DEFF Research Database (Denmark)

Ellegaard, Martin Dela

. The framework relates thermodynamic variables to molecular pair correlation functions of liquid mixtures. In this thesis, application of the framework is illustrated using two approaches: 1. Solubilities of solid solutes in mixed solvent systems are determined from fluctuation solution theory application......Properties of chemicals and their mutual phase equilibria are critical variables in process design. Reliable estimates of relevant equilibrium properties, from thermodynamic models, can form the basis of good decision making in the development phase of a process design, especially when access...... to relevant experimental data is limited. This thesis addresses the issue of generating and using simple thermodynamic models within a rigorous statistical mechanical framework, the so-called fluctuation solution theory, from which relations connecting properties and phase equilibria can be obtained...

Precision measurement of the speed of sound and thermodynamic properties of gases

International Nuclear Information System (INIS)

Benedetto, G.; Gavioso, R.M.; Spagnolo, R.

1999-01-01

The speed of sound in pure fluids and mixtures is a characteristic and important physical propriety which depends of several intensive thermodynamic variables. This fact indicates that it can be calculated using the appropriate thermodynamic properties of the fluid. Alternatively, experimental evaluation of the speed of sound can be used to determine several fundamental thermophysical properties. Recently, very accurate measurements of the speed of sound in dilute gases have found relevant applications: 1) the last experimental determinations of the value of the universal gas constant R, by measurements in argon, at the triple point of water (1,2); 2) revision of the thermodynamic temperature scales in different temperature ranges (3-5); 3) derivation of the state of many pure gases, which includes methane, helium and ethylene (6-7); 4)determination of the heat capacities and densities of pure gases and mixture (8-16). The aim of this paper is to provide an extensive review of the measurement of the speed of sound in gases and of its theoretical basis, giving prominence to the relevant metrological aspects involved in the determination of this physical quantity

Thermodynamic Properties of a Double Ring-Shaped Quantum Dot at Low and High Temperatures

Science.gov (United States)

Khordad, R.; Sedehi, H. R. Rastegar

2018-02-01

In this work, we study thermodynamic properties of a GaAs double ring-shaped quantum dot under external magnetic and electric fields. To this end, we first solve the Schrödinger equation and obtain the energy levels and wave functions, analytically. Then, we calculate the entropy, heat capacity, average energy and magnetic susceptibility of the quantum dot in the presence of a magnetic field using the canonical ensemble approach. According to the results, it is found that the entropy is an increasing function of temperature. At low temperatures, the entropy increases monotonically with raising the temperature for all values of the magnetic fields and it is independent of the magnetic field. But, the entropy depends on the magnetic field at high temperatures. The entropy also decreases with increasing the magnetic field. The heat capacity and magnetic susceptibility show a peak structure. The heat capacity reduces with increasing the magnetic field at low temperatures. The magnetic susceptibility shows a transition between diamagnetic and paramagnetic below for T<4 K. The transition temperature depends on the magnetic field.

Correlation of thermodynamics and grain growth kinetics in nanocrystalline metals

International Nuclear Information System (INIS)

Song Xiaoyan; Zhang Jiuxing; Li Lingmei; Yang Keyong; Liu Guoquan

2006-01-01

We investigated the correlation of thermodynamics and grain growth kinetics of nanocrystalline metals both theoretically and experimentally. A model was developed to describe the thermodynamic properties of nanograin boundaries, which could give reliable predictions in the destabilization characteristics of nanograin structures and the slowing down of grain growth kinetics at a constant temperature. Both the temperature-varying and isothermal nanograin growth behaviors in pure nanocrystalline Co were studied to verify the thermodynamic predictions. The experimental results showing that discontinuous nanograin growth takes place at a certain temperature and grain growth rate decreases monotonically with time confirm our thermodynamics-based description of nanograin growth characteristics. Therefore, we propose a thermodynamic viewpoint to explain the deviation of grain growth kinetics in nanocrystalline metals from those of polycrystalline materials

Performance analysis and comparison of an Atkinson cycle coupled to variable temperature heat reservoirs under maximum power and maximum power density conditions

International Nuclear Information System (INIS)

Wang, P.-Y.; Hou, S.-S.

2005-01-01

In this paper, performance analysis and comparison based on the maximum power and maximum power density conditions have been conducted for an Atkinson cycle coupled to variable temperature heat reservoirs. The Atkinson cycle is internally reversible but externally irreversible, since there is external irreversibility of heat transfer during the processes of constant volume heat addition and constant pressure heat rejection. This study is based purely on classical thermodynamic analysis methodology. It should be especially emphasized that all the results and conclusions are based on classical thermodynamics. The power density, defined as the ratio of power output to maximum specific volume in the cycle, is taken as the optimization objective because it considers the effects of engine size as related to investment cost. The results show that an engine design based on maximum power density with constant effectiveness of the hot and cold side heat exchangers or constant inlet temperature ratio of the heat reservoirs will have smaller size but higher efficiency, compression ratio, expansion ratio and maximum temperature than one based on maximum power. From the view points of engine size and thermal efficiency, an engine design based on maximum power density is better than one based on maximum power conditions. However, due to the higher compression ratio and maximum temperature in the cycle, an engine design based on maximum power density conditions requires tougher materials for engine construction than one based on maximum power conditions

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

Thermodynamics of small systems two volumes bound as one

CERN Document Server

Hill, Terrel L

1994-01-01

This authoritative summary of the basics of small system, or nonmacroscopic, thermodynamics was written by the field's founder. Originally published in two volumes, the text remains essential reading in an area in which the practical aim is to derive equations that provide interconnections among various thermodynamic functions. Part I introduces the basics of small system thermodynamics, exploring environmental variables, noting throughout the ways in which small thermodynamic systems differ operationally from macroscopic systems. Part II explores binding on macromolecules and aggregation, completes the discussion of environmental variables, and includes brief summaries of certain special topics, including electric and magnetic fields, spherical drops and bubbles, and polydisperse systems.

On Equivalence of Nonequilibrium Thermodynamic and Statistical Entropies

Directory of Open Access Journals (Sweden)

Purushottam D. Gujrati

2015-02-01

Full Text Available We review the concept of nonequilibrium thermodynamic entropy and observables and internal variables as state variables, introduced recently by us, and provide a simple first principle derivation of additive statistical entropy, applicable to all nonequilibrium states by treating thermodynamics as an experimental science. We establish their numerical equivalence in several cases, which includes the most important case when the thermodynamic entropy is a state function. We discuss various interesting aspects of the two entropies and show that the number of microstates in the Boltzmann entropy includes all possible microstates of non-zero probabilities even if the system is trapped in a disjoint component of the microstate space. We show that negative thermodynamic entropy can appear from nonnegative statistical entropy.

Tables of thermodynamic properties of sodium

International Nuclear Information System (INIS)

Fink, J.K.

1982-06-01

The thermodynamic properties of saturated sodium, superheated sodium, and subcooled sodium are tabulated as a function of temperature. The temperature ranges are 380 to 2508 K for saturated sodium, 500 to 2500 K for subcooled sodium, and 400 to 1600 K for superheated sodium. Tabulated thermodynamic properties are enthalpy, heat capacity, pressure, entropy, density, instantaneous thermal expansion coefficient, compressibility, and thermal pressure coefficient. Tables are given in SI units and cgs units

Thermodynamic evaluation of the Kalina split-cycle concepts for waste heat recovery applications

International Nuclear Information System (INIS)

Nguyen, Tuong-Van; Knudsen, Thomas; Larsen, Ulrik; Haglind, Fredrik

2014-01-01

The Kalina split-cycle is a thermodynamic process for converting thermal energy into electrical power. It uses an ammonia–water mixture as a working fluid (like a conventional Kalina cycle) and has a varying ammonia concentration during the pre-heating and evaporation steps. This second feature results in an improved match between the heat source and working fluid temperature profiles, decreasing the entropy generation in the heat recovery system. The present work compares the thermodynamic performance of this power cycle with the conventional Kalina process, and investigates the impact of varying boundary conditions by conducting an exergy analysis. The design parameters of each configuration were determined by performing a multi-variable optimisation. The results indicate that the Kalina split-cycle with reheat presents an exergetic efficiency by 2.8% points higher than a reference Kalina cycle with reheat, and by 4.3% points without reheat. The cycle efficiency varies by 14% points for a variation of the exhaust gas temperature of 100 °C, and by 1% point for a cold water temperature variation of 30 °C. This analysis also pinpoints the large irreversibilities in the low-pressure turbine and condenser, and indicates a reduction of the exergy destruction by about 23% in the heat recovery system compared to the baseline cycle. - Highlights: • The thermodynamic performance of the Kalina split-cycle is assessed. • The Kalina split-cycle is compared to the Kalina cycle, with and without reheat. • An exergy analysis is performed to evaluate its thermodynamic performance. • The impact of varying boundary conditions is investigated. • The Kalina split-cycle displays high exergetic efficiency for low- and medium-temperature applications

Anisotropic magnetoresistance and thermodynamic fluctuations in high-temperature superconductors

International Nuclear Information System (INIS)

Heine, G.

1999-05-01

Measurements of the in-plane and out-of-plane resistivity and the transverse and longitudinal in-plane and out-of-plane magnetoresistance above T, are reported in the high-temperature superconductors Bi2Sr2CaCu208+' and YBa2CU307 b . The carrier concentration of the Bi2Sr2CaCu208+' single crystals covers a broad range of the phase diagram from the slightly under doped to the moderately over doped region. The doping concentration of the thin films ranges from strongly under doped to optimally doped. The in-plane resistivities obey a metallic-like temperature dependence with a positive magnetoresistance in the transverse and the longitudinal orientation of the magnetic field. The out-of-plane resistivities show an activated behavior above T, with a metallic region at higher temperatures and negative magnetoresistance. The data were analyzed in the framework of a model for superconducting order parameter fluctuations. The positive in-plane magnetoresistance of the highly anisotropic Bi2Sr2CaCu208+x single crystals is interpreted as the suppression of the fluctuation-conductivity enhancement including orbital and spin contributions, whereas the negative magnetoresistance arises from the reduction of the fluctuation-induced pseudogap in the single-electron density-of-states by the magnetic field. For higher temperatures a transition to the normal-state magnetoresistance occurs for the in-plane transport. In the less anisotropic YBa2CU307 b thin films the positive out-of-plane magnetoresistance near T, changes sign to a negative magnetoresistance at higher temperatures. This behavior is also consistent with predictions from the theory of thermodynamic order-parameter fluctuations. The agreement of the fluctuation theory with the experimental findings is excellent for samples from the over doped side of the phase diagram, but deteriorate with decreasing carrier concentration. This behavior is interpreted by the dominating d-wave symmetry of the superconducting order

Amplification and dampening of soil respiration by changes in temperature variability

Directory of Open Access Journals (Sweden)

C. A. Sierra

2011-04-01

Full Text Available Accelerated release of carbon from soils is one of the most important feedbacks related to anthropogenically induced climate change. Studies addressing the mechanisms for soil carbon release through organic matter decomposition have focused on the effect of changes in the average temperature, with little attention to changes in temperature variability. Anthropogenic activities are likely to modify both the average state and the variability of the climatic system; therefore, the effects of future warming on decomposition should not only focus on trends in the average temperature, but also variability expressed as a change of the probability distribution of temperature. Using analytical and numerical analyses we tested common relationships between temperature and respiration and found that the variability of temperature plays an important role determining respiration rates of soil organic matter. Changes in temperature variability, without changes in the average temperature, can affect the amount of carbon released through respiration over the long-term. Furthermore, simultaneous changes in the average and variance of temperature can either amplify or dampen the release of carbon through soil respiration as climate regimes change. These effects depend on the degree of convexity of the relationship between temperature and respiration and the magnitude of the change in temperature variance. A potential consequence of this effect of variability would be higher respiration in regions where both the mean and variance of temperature are expected to increase, such as in some low latitude regions; and lower amounts of respiration where the average temperature is expected to increase and the variance to decrease, such as in northern high latitudes.

Amplification and dampening of soil respiration by changes in temperature variability

Science.gov (United States)

Sierra, C.A.; Harmon, M.E.; Thomann, E.; Perakis, S.S.; Loescher, H.W.

2011-01-01

Accelerated release of carbon from soils is one of the most important feed backs related to anthropogenically induced climate change. Studies addressing the mechanisms for soil carbon release through organic matter decomposition have focused on the effect of changes in the average temperature, with little attention to changes in temperature vari-ability. Anthropogenic activities are likely to modify both the average state and the variability of the climatic system; therefore, the effects of future warming on decomposition should not only focus on trends in the average temperature, but also variability expressed as a change of the probability distribution of temperature.Using analytical and numerical analyses we tested common relationships between temperature and respiration and found that the variability of temperature plays an important role determining respiration rates of soil organic matter. Changes in temperature variability, without changes in the average temperature, can affect the amount of carbon released through respiration over the long term. Furthermore, simultaneous changes in the average and variance of temperature can either amplify or dampen there release of carbon through soil respiration as climate regimes change. The effects depend on the degree of convexity of the relationship between temperature and respiration and the magnitude of the change in temperature variance. A potential consequence of this effect of variability would be higher respiration in regions where both the mean and variance of temperature are expected to increase, such as in some low latitude regions; and lower amounts of respiration where the average temperature is expected to increase and the variance to decrease, such as in northern high latitudes.

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 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

Biochemical thermodynamics: applications of Mathematica.

Science.gov (United States)

Alberty, Robert A

2006-01-01

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

Thermodynamics of Oligonucleotide Duplex Melting

Science.gov (United States)

Schreiber-Gosche, Sherrie; Edwards, Robert A.

2009-01-01

Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply…

Thermodynamics of micellization from heat-capacity measurements.

Science.gov (United States)

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

2014-06-23

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

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.

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.

Thermodynamic description of the Al–Mg–Si system using a new formulation for the temperature dependence of the excess Gibbs energy

International Nuclear Information System (INIS)

Tang, Ying; Du, Yong; Zhang, Lijun; Yuan, Xiaoming; Kaptay, George

2012-01-01

Highlights: ► An exponential formulation to describe ternary excess Gibbs energy is proposed. ► Theoretical analysis is performed to verify stability of phase using new formulation. ► Al–Mg–Si system and its boundary binaries have been assessed by the new formulation. ► Present calculations for Al–Mg–Si system are more reasonable than previous ones. - Abstract: An exponential formulation was proposed to replace the linear interaction parameter in the Redlich–Kister (R–K) polynomial for the excess Gibbs energy of ternary solution phase. The theoretical analysis indicates that the proposed new exponential formulation can not only avoid the artificial miscibility gap at high temperatures but also describe the ternary system well. A thermodynamic description for the Al–Mg–Si system and its boundary binaries was then performed by using both R–K linear and exponential formulations. The inverted miscibility gaps occurring in the Mg–Si and the Al–Mg–Si systems at high temperatures due to the use of R–K linear polynomials are avoided by using the new formulation. Besides, the thermodynamic properties predicted with the new formulation confirm the general thermodynamic belief that the solution phase approaches to the ideal solution at infinite temperatures, which cannot be described with the traditional R–K linear polynomials.

First-Principle Calculations for Thermodynamic Properties of LiBC Under High Temperature and High Pressure

Institute of Scientific and Technical Information of China (English)

LIU Zhong-Li; CHENG Yan; TAN Ni-Na; GOU Qing-Quan

2006-01-01

The thermodynamic properties of LiBC are investigated by using the full-potential linearized muffin-tin orbital method (FP-LMTO) within the frame of density functional theory (DFT) and using the quasi-harmonic Debye model. The dependencies of the normalized lattice parameters a/a0 and c/c0, the ratio (c/a)/2, the normalized primitive volume V/V0 on pressure and temperature are successfully obtained. It is found that the interlayer covalent interactions (Li-B bonds or Li-C bonds) are more sensitive to temperature and pressure than intralayer ones (B-C bonds), as gives rise to the extreme lattice anisotropy in the bulk hcp LiBC.

Open Thermodynamic System Concept for Fluviokarst Underground Temperature and Discharge Flow Assessments

Science.gov (United States)

Machetel, P.; Yuen, D. A.

2012-12-01

In this work, we propose to use Open Thermodynamic System (OTS) frameworks to assess temperatures and discharges of underground flows in fluviokarstic systems. The theoretical formulation is built on the first and second laws of thermodynamics. However, such assumptions would require steady states in the Control Volume to cancel the heat exchanges between underground water and embedding rocks. This situation is obviously never perfectly reached in Nature where flow discharges and temperatures vary with rainfalls, recessions and seasonal or diurnal fluctuations. First, we will shortly show that the results of a pumping test campaign on the Cent-Font (Hérault, France) fluviokarst during summer 2005 are consistent with this theoretical approach. Second, we will present the theoretical formalism of the OTS framework that leads to equation systems involving the temperatures and/or the discharges of the underground and surface flows.Third, this approach will be applied to the white (2003) conceptual model of fluviokarst, and we will present the numerical model built to assess the applicability of these assumptions. The first order of the field hydrologic properties observed at the Cent-Fonts resurgence are well described by the calculations based on this OTS framework. If this agreement is necessary, it is not sufficient to validate the method. In order to test its applicability, the mixing process has been modelized as a cooling reaction in a Continuous Stirred Tank Reactor (CSTR) for which matrix and intrusive flows are introduced continuously while effluent water is recovered at the output. The enthalpy of the various flows is conserved except for the part that exchanges heat with the embedding rocks. However the numerical model shows that in the water saturated part of the CS, the matrix flow swepts heat by convective-advective processes while temporal heat fluctuations from intrusive flows cross the CV walls. The numerical model shows that the convective flow from

Prediction of heat capacity of amine solutions using artificial neural network and thermodynamic models for CO2 capture processes

Science.gov (United States)

Afkhamipour, Morteza; Mofarahi, Masoud; Borhani, Tohid Nejad Ghaffar; Zanganeh, Masoud

2018-03-01

In this study, artificial neural network (ANN) and thermodynamic models were developed for prediction of the heat capacity ( C P ) of amine-based solvents. For ANN model, independent variables such as concentration, temperature, molecular weight and CO2 loading of amine were selected as the inputs of the model. The significance of the input variables of the ANN model on the C P values was investigated statistically by analyzing of correlation matrix. A thermodynamic model based on the Redlich-Kister equation was used to correlate the excess molar heat capacity ({C}_P^E) data as function of temperature. In addition, the effects of temperature and CO2 loading at different concentrations of conventional amines on the C P values were investigated. Both models were validated against experimental data and very good results were obtained between two mentioned models and experimental data of C P collected from various literatures. The AARD between ANN model results and experimental data of C P for 47 systems of amine-based solvents studied was 4.3%. For conventional amines, the AARD for ANN model and thermodynamic model in comparison with experimental data were 0.59% and 0.57%, respectively. The results showed that both ANN and Redlich-Kister models can be used as a practical tool for simulation and designing of CO2 removal processes by using amine solutions.

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

Variable intertidal temperature explains why disease endangers black abalone

Science.gov (United States)

Ben-Horin, Tal; Lenihan, Hunter S.; Lafferty, Kevin D.

2013-01-01

Epidemiological theory suggests that pathogens will not cause host extinctions because agents of disease should fade out when the host population is driven below a threshold density. Nevertheless, infectious diseases have threatened species with extinction on local scales by maintaining high incidence and the ability to spread efficiently even as host populations decline. Intertidal black abalone (Haliotis cracherodii), but not other abalone species, went extinct locally throughout much of southern California following the emergence of a Rickettsiales-like pathogen in the mid-1980s. The rickettsial disease, a condition known as withering syndrome (WS), and associated mortality occur at elevated water temperatures. We measured abalone body temperatures in the field and experimentally manipulated intertidal environmental conditions in the laboratory, testing the influence of mean temperature and daily temperature variability on key epizootiological processes of WS. Daily temperature variability increased the susceptibility of black abalone to infection, but disease expression occurred only at warm water temperatures and was independent of temperature variability. These results imply that high thermal variation of the marine intertidal zone allows the pathogen to readily infect black abalone, but infected individuals remain asymptomatic until water temperatures periodically exceed thresholds modulating WS. Mass mortalities can therefore occur before pathogen transmission is limited by density-dependent factors.

Statistical thermodynamics of supercapacitors and blue engines

NARCIS (Netherlands)

van Roij, R.H.H.G.

2013-01-01

We study the thermodynamics of electrode-electrolyte systems, for instance supercapacitors filled with an ionic liquid or blue-energy devices filled with river- or sea water. By a suitable mapping of thermodynamic variables, we identify a strong analogy with classical heat engines. We introduce

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

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...

Thermodynamic analysis of elastic-plastic deformation

International Nuclear Information System (INIS)

Lubarda, V.

1981-01-01

The complete set of constitutive equations which fully describes the behaviour of material in elastic-plastic deformation is derived on the basis of thermodynamic analysis of the deformation process. The analysis is done after the matrix decomposition of the deformation gradient is introduced into the structure of thermodynamics with internal state variables. The free energy function, is decomposed. Derive the expressions for the stress response, entropy and heat flux, and establish the evolution equation. Finally, we establish the thermodynamic restrictions of the deformation process. (Author) [pt

The thermodynamic characteristics of high efficiency, internal-combustion engines

International Nuclear Information System (INIS)

Caton, Jerald A.

2012-01-01

Highlights: ► The thermodynamics of an automotive engine are determined using a cycle simulation. ► The net indicated thermal efficiency increased from 37.0% to 53.9%. ► High compression ratio, lean mixtures and high EGR were the important features. ► Efficiency increased due to lower heat losses, and increased work conversion. ► The nitric oxides were essentially zero due to the low combustion temperatures. - Abstract: Recent advancements have demonstrated new combustion modes for internal combustion engines that exhibit low nitric oxide emissions and high thermal efficiencies. These new combustion modes involve various combinations of stratification, lean mixtures, high levels of EGR, multiple injections, variable valve timings, two fuels, and other such features. Although the exact combination of these features that provides the best design is not yet clear, the results (low emissions with high efficiencies) are of major interest. The current work is directed at determining some of the fundamental thermodynamic reasons for the relatively high efficiencies and to quantify these factors. Both the first and second laws are used in this assessment. An automotive engine (5.7 l) which included some of the features mentioned above (e.g., high compression ratios, lean mixtures, and high EGR) was evaluated using a thermodynamic cycle simulation. These features were examined for a moderate load (bmep = 900 kPa), moderate speed (2000 rpm) condition. By the use of lean operation, high EGR levels, high compression ratio and other features, the net indicated thermal efficiency increased from 37.0% to 53.9%. These increases are explained in a step-by-step fashion. The major reasons for these improvements include the higher compression ratio and the dilute charge (lean mixture, high EGR). The dilute charge resulted in lower temperatures which in turn resulted in lower heat loss. In addition, the lower temperatures resulted in higher ratios of the specific heats which

Thermodynamic volume and the extended Smarr relation

Energy Technology Data Exchange (ETDEWEB)

Hyun, Seungjoon; Jeong, Jaehoon; Park, Sang-A; Yi, Sang-Heon [Department of Physics, College of Science, Yonsei University,Seoul 120-749 (Korea, Republic of)

2017-04-10

We continue to explore the scaling transformation in the reduced action formalism of gravity models. As an extension of our construction, we consider the extended forms of the Smarr relation for various black holes, adopting the cosmological constant as the bulk pressure as in some literatures on black holes. Firstly, by using the quasi-local formalism for charges, we show that, in a general theory of gravity, the volume in the black hole thermodynamics could be defined as the thermodynamic conjugate variable to the bulk pressure in such a way that the first law can be extended consistently. This, so called, thermodynamic volume can be expressed explicitly in terms of the metric and field variables. Then, by using the scaling transformation allowed in the reduced action formulation, we obtain the extended Smarr relation involving the bulk pressure and the thermodynamic volume. In our approach, we do not resort to Euler’s homogeneous scaling of charges while incorporating the would-be hairy contribution without any difficulty.

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...

Thermodynamics of antibody-antigen interaction revealed by mutation analysis of antibody variable regions.

Science.gov (United States)

Akiba, Hiroki; Tsumoto, Kouhei

2015-07-01

Antibodies (immunoglobulins) bind specific molecules (i.e. antigens) with high affinity and specificity. In order to understand their mechanisms of recognition, interaction analysis based on thermodynamic and kinetic parameters, as well as structure determination is crucial. In this review, we focus on mutational analysis which gives information about the role of each amino acid residue in antibody-antigen interaction. Taking anti-hen egg lysozyme antibodies and several anti-small molecule antibodies, the energetic contribution of hot-spot and non-hot-spot residues is discussed in terms of thermodynamics. Here, thermodynamics of the contribution from aromatic, charged and hydrogen bond-forming amino acids are discussed, and their different characteristics have been elucidated. The information gives fundamental understanding of the antibody-antigen interaction. Furthermore, the consequences of antibody engineering are analysed from thermodynamic viewpoints: humanization to reduce immunogenicity and rational design to improve affinity. Amino acid residues outside hot-spots in the interface play important roles in these cases, and thus thermodynamic and kinetic parameters give much information about the antigen recognition. Thermodynamic analysis of mutant antibodies thus should lead to advanced strategies to design and select antibodies with high affinity. © The Authors 2015. Published by Oxford University Press on behalf of the Japanese Biochemical Society. All rights reserved.

Irreversible thermodynamics of overdriven shocks in solids

International Nuclear Information System (INIS)

Wallace, D.C.

1981-01-01

An isotropic solid capable of transporting heat and of undergoing dissipative plastic flow, is treated. The shock is assumed to be a steady wave, and any phase changes or macroscopic inhomogeneities which might be induced by the shock are neglected. Under these conditions it is established that for an overdriven shock, no solution is possible without heat transport, and when the heat transport is governed by the steady conduction equation, no solution is possible without plastic dissipation as well. Upper and lower bounds are established for the thermodynamic variables, namely the shear stress, temperature, entropy, plastic strain, and heat flux, as functions of compression through the shock

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.

Statistical mechanics and the foundations of thermodynamics

International Nuclear Information System (INIS)

Loef, A.M.

1979-01-01

An introduction to classical statistical mechanics and its relation to thermodynamics is presented. Emphasis is put on getting a detailed and logical presentation of the foundations of thermodynamics based on the maximum entropy principles which govern the values taken by macroscopic variables according to the laws of large numbers

[Effects of variable temperature on organic carbon mineralization in typical limestone soils].

Science.gov (United States)

Wang, Lian-Ge; Gao, Yan-Hong; Ding, Chang-Huan; Ci, En; Xie, De-Ti

2014-11-01

Soil sampling in the field and incubation experiment in the laboratory were conducted to investigate the responses of soil organic carbon (SOC) mineralization to variable temperature regimes in the topsoil of limestone soils from forest land and dry land. Two incubated limestone soils were sampled from the 0-10 cm layers of typical forest land and dry land respectively, which were distributed in Tianlong Mountain area of Puding county, Guizhou province. The soils were incubated for 56 d under two different temperature regimes including variable temperature (range: 15-25 degrees C, interval: 12 h) and constant temperature (20 degrees C), and the cumulative temperature was the same in the two temperature treatments. In the entire incubation period (56 d), the SOC cumulative mineralization (63.32 mg x kg(-1)) in the limestone soil from dry land (SH) under the variable temperature was lower than that (63.96 mg x kg(-1)) at constant 20 degrees C, and there was no significant difference in the SOC cumulative mineralization between the variable and constant temperature treatments (P variable temperature was significantly lower than that (209.52 mg x kg(-1)) at constant 20 degrees C. The results indicated that the responses of SOC mineralization to the variable temperature were obviously different between SL and SH soils. The SOC content and composition were significantly different between SL and SH soils affected by vegetation and land use type, which suggested that SOC content and composition were important factors causing the different responses of SOC mineralization to variable temperature between SL and SH soils. In addition, the dissolved organic carbon (DOC) content of two limestone soils were highly (P variable temperature mainly influenced SOC mineralization by changing microbial community activity rather than by changing microbial quantity.

Thermodynamic modelling of clay dehydration, stability and compositional evolution with temperature, pressure and H2O activity

International Nuclear Information System (INIS)

Vidal, O.; Dubacq, B.

2010-01-01

Document available in extended abstract form only. Full text of publication follows: The evaluation of the performance of clay-rich barrier considered for the disposal of radioactive waste and a reliable prediction of the impact of repository-induced disturbances upon the confinement properties of clay-rich geological formations requires reliable thermodynamic models for clay minerals. Such models have to take into account the variation of the hydration state of smectite as a function of temperature, pressure and water activity. We propose the first macroscopic thermodynamic model that account for the stepwise dehydration with increasing temperature or decreasing H 2 O activity of K, Na, Ca and Mg-smectite. The model relies on the relative stability of the different solid-solutions that describe the hydration of di- or tri-octahedral-smectites containing 0, 1, 2 or 3 interlayer water layers. The inclusion of anhydrous mica end-members makes it possible to cover, with the same solid-solution model, the entire range of composition from low-charge to high-charge smectite, through illite to mica. Non-ideal Margules parameters were used to describe the non-ideality of the solid solutions between the hydrated and dehydrated smectite end-members. Standard state properties of all smectite end-members as well as Ca- and Mg-muscovite and -phlogopite were initially estimated by oxide summation. These values were then refined and the other non-ideal interactions were estimated on the basis of different experimental data. The stepwise dehydration of smectite, and its stability and compatibility relations were calculated by Gibbs free energy minimizing. Our results account for the progressive evolution of smectite to inter-layered illite/smectite and then to mica, as observed in nature and experiments, and our model provides an explanation for the thermodynamic stability of smectite and illite/ smectite compared to mica + kaolinite or pyrophyllite assemblages. The results

Variability of OH rotational temperatures on time scales from hours to 15 years by kinetic temperature variations, emission layer changes, and non-LTE effects

Science.gov (United States)

Noll, Stefan

2016-07-01

Rotational temperatures derived from hydroxyl (OH) line emission are frequently used to study atmospheric temperatures at altitudes of about 87 km. While the measurement only requires intensities of a few bright lines of an OH band, the interpretation can be complicated. Ground-based temperatures are averages for the entire, typically 8 km wide emission layer. Variations in the rotational temperature are then caused by changes of the kinetic temperature and the OH emission profile. The latter can also be accompanied by differences in the layer-averaged efficiency of the thermalisation of the OH rotational level populations. Since this especially depends on the frequency of collisions with O_2, which is low at high altitudes, the non-local thermodynamic equilibrium (non-LTE) contribution to the measured temperatures can be significant and variable. In order to understand the impact of the different sources of OH rotational temperature variations from time scales of hours to a solar cycle, we have studied spectra from the astronomical echelle spectrographs X-shooter and UVES located at Cerro Paranal in Chile. While the X-shooter data spanning 3.5 years allowed us to measure temperatures for 25 OH and two O_2 bands, the UVES spectra cover no more than 10 OH bands simultaneously but a period of about 15 years. These data have been complemented by kinetic temperature and OH and O_2 emission profiles from the multi-channel radiometer SABER on the TIMED satellite. Taking the O_2 and SABER kinetic temperatures as reference and considering the different band-dependent emission profiles, we could evaluate the contribution of non-LTE effects to the measured OH rotational temperatures depending on line set, band, and time. Non-LTE contributions are significant for most bands and can exceed 10 K. The amplitudes of their average nocturnal and seasonal variation are of the order of 1 to 2 K.

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

Thermodynamic study of residual heat from a high temperature nuclear reactor to analyze its viability in cogeneration processes

International Nuclear Information System (INIS)

Santillan R, A.; Valle H, J.; Escalante, J. A.

2015-09-01

In this paper the thermodynamic study of a nuclear power plant of high temperature at gas turbine (GTHTR300) is presented for estimating the exploitable waste heat in a process of desalination of seawater. One of the most studied and viable sustainable energy for the production of electricity, without the emission of greenhouse gases, is the nuclear energy. The fourth generation nuclear power plants have greater advantages than those currently installed plants; these advantages have to do with security, increased efficiencies and feasibility to be coupled to electrical cogeneration processes. In this paper the thermodynamic study of a nuclear power plant type GTHTR300 is realized, which is selected by greater efficiencies and have optimal conditions for use in electrical cogeneration processes due to high operating temperatures, which are between 700 and 950 degrees Celsius. The aim of the study is to determine the heat losses and the work done at each stage of the system, determining where they are the greatest losses and analyzing in that processes can be taken advantage. Based on the study was appointed that most of the energy losses are in form of heat in the coolers and usually this is emitted into the atmosphere without being used. From the results a process of desalination of seawater as electrical cogeneration process is proposed. This paper contains a brief description of the operation of the nuclear power plant, focusing on operation conditions and thermodynamic characteristics for the implementation of electrical cogeneration process, a thermodynamic analysis based on mass and energy balance was developed. The results allow quantifying the losses of thermal energy and determining the optimal section for coupling of the reactor with the desalination process, seeking to have a great overall efficiency. (Author)

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

Thermodynamic Analysis of Cast Irons Solidification With Various Types of Graphite

Directory of Open Access Journals (Sweden)

Elbel T.

2012-12-01

Full Text Available The contribution summarises the results of oxygen activity determinations, which were measured and registered continuously in castings from cast irons with various types of graphite. The results were used to find the relationship between two variables: natural logarithm of oxygen activities and reverse value of thermodynamic temperature 1 /T. Obtained regression lines were used to calculate oxygen activity at different temperatures, to calculate Gibbs free energy ΔG at the different temperatures and to calculate the single ΔG value for significant temperature of the graphite solidification. The results were processed by a statistical analysis of data files for the different types of graphite with flake, vermicular and spheroidal graphite. Each material has its proper typical oxygen activities range and individual temperature function of Gibbs free energy for analysing and governing casting quality.

Application of computational thermodynamics to the determination of thermophysical properties as a function of temperature for multicomponent Al-based alloys

International Nuclear Information System (INIS)

Nascimento, Fabiana C.; Paresque, Mara C.C.; Castro, José A. de; Jácome, Paulo A.D.; Garcia, Amauri; Ferreira, Ivaldo L.

2015-01-01

Highlights: • A model coupled to a computational thermodynamics software is proposed to compute thermophysical properties. • The model applies to multicomponent alloys and has been validated against experimental results. • Density and specific heat as a function of temperature are computed for Al–Si–Cu alloys. - Abstract: Despite the technological importance of Al–Si–Cu alloys in manufacturing processes involving heat transfer, such as welding, casting and heat treatment, thermophysical properties of this system of alloys are very scarce in the literature. In this paper, a model connected to a computational thermodynamics software is proposed permitting density and specific heats as a function of temperature and enthalpy of transformations to be numerically determined. The model is pre-validated against experimental density as a function of temperature for liquid and solid phases of A319 and 7075 alloys found in the literature and validated against experimental density values for the solid phase of an Al-6 wt%Cu-1 wt%Si alloy determined in the present study. In both cases the numerical predictions are in good agreement with the experimental results. Specific heat and temperatures and heats of transformation are also numerically determined for this ternary Al-based alloy.

Application of computational thermodynamics to the determination of thermophysical properties as a function of temperature for multicomponent Al-based alloys

Energy Technology Data Exchange (ETDEWEB)

Nascimento, Fabiana C. [Fluminense Federal University, Graduate Program in Metallurgical Engineering, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil); Paresque, Mara C.C. [Fluminense Federal University, Graduate Program in Mechanical Engineering, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil); Castro, José A. de [Fluminense Federal University, Graduate Program in Metallurgical Engineering, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil); Jácome, Paulo A.D. [Fluminense Federal University, Graduate Program in Mechanical Engineering, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil); Garcia, Amauri, E-mail: amaurig@fem.unicamp.br [University of Campinas – UNICAMP, Department of Manufacturing and Materials Engineering, 13083-860 Campinas, SP (Brazil); Ferreira, Ivaldo L. [Fluminense Federal University, Graduate Program in Mechanical Engineering, Av. dos Trabalhadores, 420-27255-125 Volta Redonda, RJ (Brazil)

2015-11-10

Highlights: • A model coupled to a computational thermodynamics software is proposed to compute thermophysical properties. • The model applies to multicomponent alloys and has been validated against experimental results. • Density and specific heat as a function of temperature are computed for Al–Si–Cu alloys. - Abstract: Despite the technological importance of Al–Si–Cu alloys in manufacturing processes involving heat transfer, such as welding, casting and heat treatment, thermophysical properties of this system of alloys are very scarce in the literature. In this paper, a model connected to a computational thermodynamics software is proposed permitting density and specific heats as a function of temperature and enthalpy of transformations to be numerically determined. The model is pre-validated against experimental density as a function of temperature for liquid and solid phases of A319 and 7075 alloys found in the literature and validated against experimental density values for the solid phase of an Al-6 wt%Cu-1 wt%Si alloy determined in the present study. In both cases the numerical predictions are in good agreement with the experimental results. Specific heat and temperatures and heats of transformation are also numerically determined for this ternary Al-based alloy.

Characterizing Temperature Variability and Associated Large Scale Meteorological Patterns Across South America

Science.gov (United States)

Detzer, J.; Loikith, P. C.; Mechoso, C. R.; Barkhordarian, A.; Lee, H.

2017-12-01

South America's climate varies considerably owing to its large geographic range and diverse topographical features. Spanning the tropics to the mid-latitudes and from high peaks to tropical rainforest, the continent experiences an array of climate and weather patterns. Due to this considerable spatial extent, assessing temperature variability at the continent scale is particularly challenging. It is well documented in the literature that temperatures have been increasing across portions of South America in recent decades, and while there have been many studies that have focused on precipitation variability and change, temperature has received less scientific attention. Therefore, a more thorough understanding of the drivers of temperature variability is critical for interpreting future change. First, k-means cluster analysis is used to identify four primary modes of temperature variability across the continent, stratified by season. Next, composites of large scale meteorological patterns (LSMPs) are calculated for months assigned to each cluster. Initial results suggest that LSMPs, defined using meteorological variables such as sea level pressure (SLP), geopotential height, and wind, are able to identify synoptic scale mechanisms important for driving temperature variability at the monthly scale. Some LSMPs indicate a relationship with known recurrent modes of climate variability. For example, composites of geopotential height suggest that the Southern Annular Mode is an important, but not necessarily dominant, component of temperature variability over southern South America. This work will be extended to assess the drivers of temperature extremes across South America.

Thermodynamic modelling of the effect of temperature on the hydration and porosity of Portland cement

International Nuclear Information System (INIS)

Lothenbach, Barbara; Matschei, Thomas; Moeschner, Goeril; Glasser, Fred P.

2008-01-01

The composition of the phase assemblage and the pore solution of Portland cements hydrated between 0 and 60 deg. C were modelled as a function of time and temperature. The results of thermodynamic modelling showed a good agreement with the experimental data gained at 5, 20, and 50 deg. C. At 5 and at 20 deg. C, a similar phase assemblage was calculated to be present, while at approximately 50 deg. C, thermodynamic calculations predicted the conversion of ettringite and monocarbonate to monosulphate. Modelling showed that in Portland cements which have an Al 2 O 3 /SO 3 ratio of > 1.3 (bulk weight), above 50 deg. C monosulphate and monocarbonate are present. In Portland cements which contain less Al (Al 2 O 3 /SO 3 < 1.3), above 50 deg. C monosulphate and small amounts of ettringite are expected to persist. A good correlation between calculated porosity and measured compressive strength was observed

Thermodynamic behavior of glassy state of structurally related compounds.

Science.gov (United States)

Kaushal, Aditya Mohan; Bansal, Arvind Kumar

2008-08-01

Thermodynamic properties of amorphous pharmaceutical forms are responsible for enhanced solubility as well as poor physical stability. The present study was designed to investigate the differences in thermodynamic parameters arising out of disparate molecular structures and associations for four structurally related pharmaceutical compounds--celecoxib, valdecoxib, rofecoxib, and etoricoxib. Conventional and modulated temperature differential scanning calorimetry were employed to study glass forming ability and thermodynamic behavior of the glassy state of model compounds. Glass transition temperature of four glassy compounds was in a close range of 327.6-331.8 K, however, other thermodynamic parameters varied considerably. Kauzmann temperature, strength parameter and fragility parameter showed rofecoxib glass to be most fragile of the four compounds. Glass forming ability of the compounds fared similar in the critical cooling rate experiments, suggesting that different factors were determining the glass forming ability and subsequent behavior of the compounds in glassy state. A comprehensive understanding of such thermodynamic facets of amorphous form would help in rationalizing the approaches towards development of stable glassy pharmaceuticals.

Dynamics and thermodynamics of polymer glasses.

Science.gov (United States)

Cangialosi, D

2014-04-16

The fate of matter when decreasing the temperature at constant pressure is that of passing from gas to liquid and, subsequently, from liquid to crystal. However, a class of materials can exist in an amorphous phase below the melting temperature. On cooling such materials, a glass is formed; that is, a material with the rigidity of a solid but exhibiting no long-range order. The study of the thermodynamics and dynamics of glass-forming systems is the subject of continuous research. Within the wide variety of glass formers, an important sub-class is represented by glass forming polymers. The presence of chain connectivity and, in some cases, conformational disorder are unfavourable factors from the point of view of crystallization. Furthermore, many of them, such as amorphous thermoplastics, thermosets and rubbers, are widely employed in many applications. In this review, the peculiarities of the thermodynamics and dynamics of glass-forming polymers are discussed, with particular emphasis on those topics currently the subject of debate. In particular, the following aspects will be reviewed in the present work: (i) the connection between the pronounced slowing down of glassy dynamics on cooling towards the glass transition temperature (Tg) and the thermodynamics; and, (ii) the fate of the dynamics and thermodynamics below Tg. Both aspects are reviewed in light of the possible presence of a singularity at a finite temperature with diverging relaxation time and zero configurational entropy. In this context, the specificity of glass-forming polymers is emphasized.

Thermodynamic Ground States of Complex Oxide Heterointerfaces

DEFF Research Database (Denmark)

Gunkel, F.; Hoffmann-Eifert, S.; Heinen, R. A.

2017-01-01

The formation mechanism of 2-dimensional electron gases (2DEGs) at heterointerfaces between nominally insulating oxides is addressed with a thermodynamical approach. We provide a comprehensive analysis of the thermodynamic ground states of various 2DEG systems directly probed in high temperature...

Extended Irreversible Thermodynamics

CERN Document Server

Jou, David

2010-01-01

This is the 4th edition of the highly acclaimed monograph on Extended Irreversible Thermodynamics, a theory that goes beyond the classical theory of irreversible processes. In contrast to the classical approach, the basic variables describing the system are complemented by non-equilibrium quantities. The claims made for extended thermodynamics are confirmed by the kinetic theory of gases and statistical mechanics. The book covers a wide spectrum of applications, and also contains a thorough discussion of the foundations and the scope of the current theories on non-equilibrium thermodynamics. For this new edition, the authors critically revised existing material while taking into account the most recent developments in fast moving fields such as heat transport in micro- and nanosystems or fast solidification fronts in materials sciences. Several fundamental chapters have been revisited emphasizing physics and applications over mathematical derivations. Also, fundamental questions on the definition of non-equil...

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...

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)

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.

Thermodynamic assessment of hydrogen production and cobalt oxidation susceptibility under ethanol reforming conditions

International Nuclear Information System (INIS)

Avila, C.N. de; Hori, C.E.; Assis, A.J. de

2011-01-01

A comparative thermodynamic analysis of ethanol reforming reactions was conducted using an in-house code. Equilibrium compositions were estimated using the Lagrange multipliers method, which generated systems of non-linear algebraic equations, solved numerically. Effects of temperature, pressure and steam to ethanol, O 2 to ethanol and CO 2 to ethanol ratios on the equilibrium compositions were evaluated. The validation was done by comparing these data with experimental literature. The results of this work proved to be useful to foresee whether the experimental results follow the stoichiometry of the reactions involved in each process. Mole fractions of H 2 and CO 2 proved to be the most reliable variables to make this type of validation. Maximization of H 2 mole fraction was attained between 773 and 873 K, but maximum net mole production of H 2 was only achieved at higher temperatures (>1123 K). This work also advances in the thermodynamics of solid-gas phase interactions. A solid phase thermodynamic analysis was performed to confirm that Co 0 formation from CoO is spontaneous under steam reforming conditions. The results showed that this reduction process occurs only for temperatures higher than 430 K. It was also found that once reduced, Co based catalysts will never oxidize back to Co 3 O 4 . -- Highlights: → Thermodynamic analysis of ethanol reforming reactions using an in-house code. → Analysis performed by solving systems of non-linear algebraic equations. → H 2 and CO 2 equilibrium data are useful to validate catalytic tests. → Maximization of H 2 mole fraction achieved between 773 and 873 K → CoO reduction is spontaneous under steam reforming of ethanol conditions.

Soil temperature variability in complex terrain measured using fiber-optic distributed temperature sensing

Science.gov (United States)

Soil temperature (Ts) exerts critical controls on hydrologic and biogeochemical processes but magnitude and nature of Ts variability in a landscape setting are rarely documented. Fiber optic distributed temperature sensing systems (FO-DTS) potentially measure Ts at high density over a large extent. ...

On the thermodynamic stability of the generalized Chaplygin gas

International Nuclear Information System (INIS)

Santos, F.C.; Bedran, M.L.; Soares, V.

2006-01-01

The main purpose of this Letter is to discuss the temperature behavior and the thermodynamic stability of an exotic fluid known as generalized Chaplygin gas considering only general thermodynamics. This fluid is considered a perfect fluid which obeys an adiabatic equation of state like P=-A/ρ α , where P and ρ are respectively the pressure and energy density; the parameter A is a positive universal constant and α>0. It is remarked that if the energy density of the fluid is a function of volume only, the temperature of the fluid remains zero at any pressure or volume, violating the third law of thermodynamics. We have determined a scenario where its thermal equation of state depends on temperature only and the fluid presents thermodynamic stability during any expansion process. Such a scenario also reveals that the fluid cools down through the expansion without facing any critical point or phase transition

Thermodynamics a complete undergraduate course

CERN Document Server

Steane, Andrew M

2016-01-01

This is an undergraduate textbook in thermodynamics—the science of heat, work, temperature, and entropy. The text presents thermodynamics in and of itself, as an elegant and powerful set of ideas and methods. These methods open the way to understanding a very wide range of phenomena in physics, chemistry, engineering, and biology. Starting out from an introduction of concepts at first year undergraduate level, the roles of temperature, internal energy, and entropy are explained via the laws of thermodynamics. The text employs a combination of examples, exercises, and careful discussion, with a view to conveying the feel of the subject as well as avoiding common misunderstandings. The Feynman–Smuluchowski ratchet, Szilard’s engine, and Maxwell’s daemon are used to elucidate entropy and the second law. Free energy and thermodynamic potentials are discussed at length, with applications to solids as well as fluids and flow processes. Thermal radiation is discussed, and the main ideas significant to global...

An analysis of the CSNI/GREST core concrete interaction chemical thermodynamic benchmark exercise using the MPEC2 computer code

International Nuclear Information System (INIS)

Muramatsu, Ken; Kondo, Yasuhiko; Uchida, Masaaki; Soda, Kunihisa

1989-01-01

Fission product (EP) release during a core concrete interaction (CCI) is an important factor of the uncertainty associated with a source term estimation for an LWR severe accident. An analysis was made on the CCI Chemical Thermodynamic Benchmark Exercise organized by OECD/NEA/CSNI Group of Experts on Source Terms (GREST) for investigating the uncertainty in thermodynamic modeling for CCI. The benchmark exercise was to calculate the equilibrium FP vapor pressure for given system of temperature, pressure, and debris composition. The benchmark consisted of two parts, A and B. Part A was a simplified problem intended to test the numerical techniques. In part B, the participants were requested to use their own best estimate thermodynamic data base to examine the variability of the results due to the difference in thermodynamic data base. JAERI participated in this benchmark exercise with use of the MPEC2 code. Chemical thermodynamic data base needed for analysis of Part B was taken from the VENESA code. This report describes the computer code used, inputs to the code, and results from the calculation by JAERI. The present calculation indicates that the FP vapor pressure depends strongly on temperature and Oxygen potential in core debris and the pattern of dependency may be different for different FP elements. (author)

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.

Effects of temperature and pressure on thermodynamic properties of Cd0.50 Zn0.50 Se alloy

Science.gov (United States)

Aarifeen, Najm ul; Afaq, A.

2017-09-01

Thermodynamic properties of \\text{C}{{\\text{d}}0.50} \\text{Z}{{\\text{n}}0.50} Se alloy are studied using quasi harmonic model for pressure range 0-10 GPa and temperature range 0-1000 K. The structural optimization is obtained by self consistent field calculations and full-potential linear muffin-tin orbital method with GGA+U as an exchange correlation functional where U=2.3427 eV is the hubbard potential. The effects of temperature and pressure on the bulk modulus, Helmholtz free energy, internal energy, entropy, Debye temperature, Grüneisen parameter, thermal expansion coefficient and heat capacities of the material are observed and discussed. The bulk modulus, Helmholtz free energy and Debye temperature are found to decrease with increasing temperature while there is an increasing behavior when the pressure rises. Whereas internal energy has increasing trend with rises in temperature and it almost remains insensitive to pressure. The entropy of the system increases (decreases) with a rise of pressure (temperature).

Coupled thermodynamic-dynamic semi-analytical model of free piston Stirling engines

Energy Technology Data Exchange (ETDEWEB)

Formosa, F., E-mail: fabien.formosa@univ-savoie.f [Laboratoire SYMME, Universite de Savoie, BP 80439, 74944 Annecy le Vieux Cedex (France)

2011-05-15

Research highlights: {yields} The free piston Stirling behaviour relies on its thermal and dynamic features. {yields} A global semi-analytical model for preliminary design is developed. {yields} The model compared with NASA-RE1000 experimental data shows good correlations. -- Abstract: The study of free piston Stirling engine (FPSE) requires both accurate thermodynamic and dynamic modelling to predict its performances. The steady state behaviour of the engine partly relies on non linear dissipative phenomena such as pressure drop loss within heat exchangers which is dependant on the temperature within the associated components. An analytical thermodynamic model which encompasses the effectiveness and the flaws of the heat exchangers and the regenerator has been previously developed and validated. A semi-analytical dynamic model of FPSE is developed and presented in this paper. The thermodynamic model is used to define the thermal variables that are used in the dynamic model which evaluates the kinematic results. Thus, a coupled iterative strategy has been used to perform a global simulation. The global modelling approach has been validated using the experimental data available from the NASA RE-1000 Stirling engine prototype. The resulting coupled thermodynamic-dynamic model using a standardized description of the engine allows efficient and realistic preliminary design of FPSE.

Coupled thermodynamic-dynamic semi-analytical model of free piston Stirling engines

International Nuclear Information System (INIS)

Formosa, F.

2011-01-01

Research highlights: → The free piston Stirling behaviour relies on its thermal and dynamic features. → A global semi-analytical model for preliminary design is developed. → The model compared with NASA-RE1000 experimental data shows good correlations. -- Abstract: The study of free piston Stirling engine (FPSE) requires both accurate thermodynamic and dynamic modelling to predict its performances. The steady state behaviour of the engine partly relies on non linear dissipative phenomena such as pressure drop loss within heat exchangers which is dependant on the temperature within the associated components. An analytical thermodynamic model which encompasses the effectiveness and the flaws of the heat exchangers and the regenerator has been previously developed and validated. A semi-analytical dynamic model of FPSE is developed and presented in this paper. The thermodynamic model is used to define the thermal variables that are used in the dynamic model which evaluates the kinematic results. Thus, a coupled iterative strategy has been used to perform a global simulation. The global modelling approach has been validated using the experimental data available from the NASA RE-1000 Stirling engine prototype. The resulting coupled thermodynamic-dynamic model using a standardized description of the engine allows efficient and realistic preliminary design of FPSE.

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...

Transformations between Extensive and Intensive Versions of Thermodynamic Relationships

Science.gov (United States)

Eberhart, James G.

2010-01-01

Most thermodynamic properties are either extensive (e.g., volume, energy, entropy, amount, etc.) or intensive (e.g., temperature, pressure, chemical potential, mole fraction, etc.). By the same token most of the mathematical relationships in thermodynamics can be written in extensive or intensive form. The basic laws of thermodynamics are usually…

Thermodynamic properties and equation of state of liquid di-isodecyl phthalate at temperature between (273 and 423) K and at pressures up to 140 MPa

Energy Technology Data Exchange (ETDEWEB)

Peleties, F. [Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Segovia, J.J. [Grupo de Termodinamica y Calibracion (TERMOCAL), Dpto. Ingenieria Energetica y Fluidomecanica, E.T.S. de Ingenieros Industriales, Universidad de Valladolid, E-47011 Valladolid (Spain); Trusler, J.P.M., E-mail: m.trusler@imperial.ac.u [Department of Chemical Engineering, Imperial College London, South Kensington Campus, London SW7 2AZ (United Kingdom); Vega-Maza, D. [Grupo de Termodinamica y Calibracion (TERMOCAL), Dpto. Ingenieria Energetica y Fluidomecanica, E.T.S. de Ingenieros Industriales, Universidad de Valladolid, E-47011 Valladolid (Spain)

2010-05-15

We report measurements of the thermodynamic properties of liquid di-isodecyl phthalate (DIDP) and an equation of state determined therefrom. The speed of sound in DIDP was measured at temperatures between (293.15 and 413.15) K and a pressures between (0.1 and 140) MPa with a relative uncertainty of 0.1%. In addition, the isobaric specific heat capacity was measured at temperatures between (293.15 and 423.15) K at a pressure of 0.1 MPa with a relative uncertainty of 1%, and the density was measured at temperatures between (273.15 and 413.15) K at a pressure of 0.1 MPa with a relative uncertainty of 0.015%. The thermodynamic properties of DIDP were obtained from the measured speeds of sound by thermodynamic integration starting from the initial values of density and isobaric specific heat capacity obtained experimentally. The results have been represented by a new equation of state containing nine parameters with an uncertainty in density not worse than 0.025%. Comparisons with literature data are made.

Thermodynamic properties and equation of state of liquid di-isodecyl phthalate at temperature between (273 and 423) K and at pressures up to 140 MPa

International Nuclear Information System (INIS)

Peleties, F.; Segovia, J.J.; Trusler, J.P.M.; Vega-Maza, D.

2010-01-01

We report measurements of the thermodynamic properties of liquid di-isodecyl phthalate (DIDP) and an equation of state determined therefrom. The speed of sound in DIDP was measured at temperatures between (293.15 and 413.15) K and a pressures between (0.1 and 140) MPa with a relative uncertainty of 0.1%. In addition, the isobaric specific heat capacity was measured at temperatures between (293.15 and 423.15) K at a pressure of 0.1 MPa with a relative uncertainty of 1%, and the density was measured at temperatures between (273.15 and 413.15) K at a pressure of 0.1 MPa with a relative uncertainty of 0.015%. The thermodynamic properties of DIDP were obtained from the measured speeds of sound by thermodynamic integration starting from the initial values of density and isobaric specific heat capacity obtained experimentally. The results have been represented by a new equation of state containing nine parameters with an uncertainty in density not worse than 0.025%. Comparisons with literature data are made.

Holographic free energy and thermodynamic geometry

Science.gov (United States)

Ghorai, Debabrata; Gangopadhyay, Sunandan

2016-12-01

We obtain the free energy and thermodynamic geometry of holographic superconductors in 2+1 dimensions. The gravitational theory in the bulk dual to this 2+1-dimensional strongly coupled theory lives in the 3+1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method.

Holographic free energy and thermodynamic geometry

International Nuclear Information System (INIS)

Ghorai, Debabrata; Gangopadhyay, Sunandan

2016-01-01

We obtain the free energy and thermodynamic geometry of holographic superconductors in 2 + 1 dimensions. The gravitational theory in the bulk dual to this 2 + 1-dimensional strongly coupled theory lives in the 3 + 1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method. (orig.)

Holographic free energy and thermodynamic geometry

Energy Technology Data Exchange (ETDEWEB)

Ghorai, Debabrata [S.N. Bose National Centre for Basic Sciences, Kolkata (India); Gangopadhyay, Sunandan [Indian Institute of Science Education and Research, Kolkata, Nadia (India); West Bengal State University, Department of Physics, Barasat (India); Inter University Centre for Astronomy and Astrophysics, Pune (India)

2016-12-15

We obtain the free energy and thermodynamic geometry of holographic superconductors in 2 + 1 dimensions. The gravitational theory in the bulk dual to this 2 + 1-dimensional strongly coupled theory lives in the 3 + 1 dimensions and is that of a charged AdS black hole together with a massive charged scalar field. The matching method is applied to obtain the nature of the fields near the horizon using which the holographic free energy is computed through the gauge/gravity duality. The critical temperature is obtained for a set of values of the matching point of the near horizon and the boundary behaviour of the fields in the probe limit approximation which neglects the back reaction of the matter fields on the background spacetime geometry. The thermodynamic geometry is then computed from the free energy of the boundary theory. From the divergence of the thermodynamic scalar curvature, the critical temperature is obtained once again. We then compare this result for the critical temperature with that obtained from the matching method. (orig.)

Thermodynamic DFT analysis of natural gas.

Science.gov (United States)

Neto, Abel F G; Huda, Muhammad N; Marques, Francisco C; Borges, Rosivaldo S; Neto, Antonio M J C

2017-08-01

Density functional theory was performed for thermodynamic predictions on natural gas, whose B3LYP/6-311++G(d,p), B3LYP/6-31+G(d), CBS-QB3, G3, and G4 methods were applied. Additionally, we carried out thermodynamic predictions using G3/G4 averaged. The calculations were performed for each major component of seven kinds of natural gas and to their respective air + natural gas mixtures at a thermal equilibrium between room temperature and the initial temperature of a combustion chamber during the injection stage. The following thermodynamic properties were obtained: internal energy, enthalpy, Gibbs free energy and entropy, which enabled us to investigate the thermal resistance of fuels. Also, we estimated an important parameter, namely, the specific heat ratio of each natural gas; this allowed us to compare the results with the empirical functions of these parameters, where the B3LYP/6-311++G(d,p) and G3/G4 methods showed better agreements. In addition, relevant information on the thermal and mechanic resistance of natural gases were investigated, as well as the standard thermodynamic properties for the combustion of natural gas. Thus, we show that density functional theory can be useful for predicting the thermodynamic properties of natural gas, enabling the production of more efficient compositions for the investigated fuels. Graphical abstract Investigation of the thermodynamic properties of natural gas through the canonical ensemble model and the density functional theory.

Thermodynamic Database for Zirconium Alloys

International Nuclear Information System (INIS)

Jerlerud Perez, Rosa

2003-05-01

For many decades zirconium alloys have been commonly used in the nuclear power industry as fuel cladding material. Besides their good corrosion resistance and acceptable mechanical properties the main reason of using these alloys is the low neutron absorption. Zirconium alloys are exposed to a very severe environment during the nuclear fission process and there is a demand for better design of this material. To meet this requirement a thermodynamic database is developed to support material designers. In this thesis some aspects about the development of a thermodynamic database for zirconium alloys are presented. A thermodynamic database represents an important facility in applying thermodynamic equilibrium calculations for a given material providing: 1) relevant information about the thermodynamic properties of the alloys e.g. enthalpies, activities, heat capacity, and 2) significant information for the manufacturing process e.g. heat treatment temperature. The basic information in the database is first the unary data, i.e. pure elements; those are taken from the compilation of the Scientific Group Thermodata Europe (SGTE) and then the binary and ternary systems. All phases present in those binary and ternary systems are described by means of the Gibbs energy dependence on composition and temperature. Many of those binary systems have been taken from published or unpublished works and others have been assessed in the present work. All the calculations have been made using Thermo C alc software and the representation of the Gibbs energy obtained by applying Calphad technique

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

Science.gov (United States)

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

1988-01-01

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

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

Thermodynamic simulation of biomass gas steam reforming for a solid oxide fuel cell (SOFC system

Directory of Open Access Journals (Sweden)

A. Sordi

2009-12-01

Full Text Available This paper presents a methodology to simulate a small-scale fuel cell system for power generation using biomass gas as fuel. The methodology encompasses the thermodynamic and electrochemical aspects of a solid oxide fuel cell (SOFC, as well as solves the problem of chemical equilibrium in complex systems. In this case the complex system is the internal reforming of biomass gas to produce hydrogen. The fuel cell input variables are: operational voltage, cell power output, composition of the biomass gas reforming, thermodynamic efficiency, electrochemical efficiency, practical efficiency, the First and Second law efficiencies for the whole system. The chemical compositions, molar flows and temperatures are presented to each point of the system as well as the exergetic efficiency. For a molar water/carbon ratio of 2, the thermodynamic simulation of the biomass gas reforming indicates the maximum hydrogen production at a temperature of 1070 K, which can vary as a function of the biomass gas composition. The comparison with the efficiency of simple gas turbine cycle and regenerative gas turbine cycle shows the superiority of SOFC for the considered electrical power range.

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

Measurement of very rapidly variable temperatures

International Nuclear Information System (INIS)

Elberg, S.; Mathonnet, P.

1974-01-01

Bibliographical research and visits to laboratories were undertaken in order to survey the different techniques used to measure rapidly variable temperatures, specifying the limits in maximum temperature and variation rate (time constant). On the basis of the bibliographical study these techniques were classified in three categories according to the physical meaning of their response time. Extension of the bibliographical research to methods using fast temperature variation measurement techniques and visits to research and industrial laboratories gave in an idea of the problems raised by the application of these methods. The use of these techniques in fields other than those for which they were developed can sometimes be awkward in the case of thermometric probe devices where the time constant cannot generally be specified [fr

International thermodynamic tables of the fluid state helium-4

CERN Document Server

de Reuck, K M; McCarty, R D

2013-01-01

International Thermodynamic Tables of the Fluid State Helium-4 presents the IUPAC Thermodynamic Tables for the thermodynamic properties of helium. The IUPAC Thermodynamic Tables Project has therefore encouraged the critical analysis of the available thermodynamic measurements for helium and their synthesis into tables. This book is divided into three chapters. The first chapter discusses the experimental results and compares with the equations used to generate the tables. These equations are supplemented by a vapor pressure equation, which represents the 1958 He-4 scale of temperature that is

A thermodynamic description of quarks at the subquark level

International Nuclear Information System (INIS)

Fitzpatrick, G.L.

1985-01-01

A thermodynamic basis for the description of quarks at the subquark level is proposed. It is suggested that subquarks are ultrarelativistic objects confined to the quark radius R. Thus they experience accelerations of the order a≅c/sup 2//R. But this means that information excluding horizons (iota) comparable to quark radii R, namely iota≅c/sup 2//a≅R, are present. Such horizons force us to describe quarks, at the subquark level, via thermodynamics. This thermodynamic description must involve unconventional negative energy Rindler vacua, rather than the conventional zero energy Minkowski vacuum. In an average thermodynamic sense, these Rindler vacua cancel excess kinetic energy of the subquarks, thereby removing an objection to theories involving subquarks. In any such theory it is necessary to assign an Unruh temperature T, where kT≅(h/2πc)a≅(hc/2πR), to the subquark matter. The author argues that T must be the temperature of the early universe phase transition (probably first order) at which quarks condensed into hadrons. Thus quarks have a temperature T independent of hadron mass. He shows how quark properties may be derived in the foregoing thermodynamic context

On the thermodynamic path enabling a room-temperature, laser-assisted graphite to nanodiamond transformation

Science.gov (United States)

Gorrini, F.; Cazzanelli, M.; Bazzanella, N.; Edla, R.; Gemmi, M.; Cappello, V.; David, J.; Dorigoni, C.; Bifone, A.; Miotello, A.

2016-10-01

Nanodiamonds are the subject of active research for their potential applications in nano-magnetometry, quantum optics, bioimaging and water cleaning processes. Here, we present a novel thermodynamic model that describes a graphite-liquid-diamond route for the synthesis of nanodiamonds. Its robustness is proved via the production of nanodiamonds powders at room-temperature and standard atmospheric pressure by pulsed laser ablation of pyrolytic graphite in water. The aqueous environment provides a confinement mechanism that promotes diamond nucleation and growth, and a biologically compatible medium for suspension of nanodiamonds. Moreover, we introduce a facile physico-chemical method that does not require harsh chemical or temperature conditions to remove the graphitic byproducts of the laser ablation process. A full characterization of the nanodiamonds by electron and Raman spectroscopies is reported. Our model is also corroborated by comparison with experimental data from the literature.

Study of elastic and thermodynamic properties of uranium dioxide under high temperature and pressure with density functional theory

International Nuclear Information System (INIS)

Zhou Mu; Wang Feng; Zheng Zhou; Liu Xiankun; Jiang Tao

2013-01-01

The elastic and thermodynamic properties of UO 2 under extreme physical condition are studied by using the density functional theory and quasi-harmonic Debye model. Results show that UO 2 is still stable ionic crystal under high temperatures, and pressures. Tetragonal shear constant is steady under high pressures and temperatures, while elastic constant C 44 is stable under high temperatures, but rises with pressure sharply. Bulk modulus, shear modulus and Young's modulus increase with pressure rapidly, but temperature would not cause evident debasement of the moduli, all of which indicate that UO 2 has excellent mechanical properties. Heat capacity of different pressures increases with temperature and is close to the Dulong-Petit limit near 1000 K. Debye temperature decreases with temperature, and increases with pressure. Under low pressure, thermal expansion coefficient raises with temperature rapidly, and then gets slow at higher pressure and temperature. Besides, the thermal expansion coefficient of UO 2 is much lower than that of other nuclear materials. (authors)

On equivalence of high temperature series expansion and coupling parameter series expansion in thermodynamic perturbation theory of fluids

International Nuclear Information System (INIS)

Sai Venkata Ramana, A.

2014-01-01

The coupling parameter series expansion and the high temperature series expansion in the thermodynamic perturbation theory of fluids are shown to be equivalent if the interaction potential is pairwise additive. As a consequence, for the class of fluids with the potential having a hardcore repulsion, if the hard-sphere fluid is chosen as reference system, the terms of coupling parameter series expansion for radial distribution function, direct correlation function, and Helmholtz free energy follow a scaling law with temperature. The scaling law is confirmed by application to square-well fluids

Thermodynamic Properties, Hysteresis Behavior and Stress-Strain Analysis of MgH2 Thin Films, Studied over a Wide Temperature Range

Directory of Open Access Journals (Sweden)

Yevheniy Pivak

2012-06-01

Full Text Available Using hydrogenography, we investigate the thermodynamic parameters and hysteresis behavior in Mg thin films capped by Ta/Pd, in a temperature range from 333 K to 545 K. The enthalpy and entropy of hydride decomposition, ∆Hdes = −78.3 kJ/molH2, ∆Sdes = −136.1 J/K molH2, estimated from the Van't Hoff analysis, are in good agreement with bulk results, while the absorption thermodynamics, ∆Habs = −61.6 kJ/molH2, ∆Sabs = −110.9 J/K molH2, appear to be substantially affected by the clamping of the film to the substrate. The clamping is negligible at high temperatures, T > 523 K, while at lower temperatures, T < 393 K, it is considerable. The hysteresis at room temperature in Mg/Ta/Pd films increases by a factor of 16 as compared to MgH2 bulk. The hysteresis increases even further in Mg/Pd films, most likely due to the formation of a Mg-Pd alloy at the Mg/Pd interface. The stress–strain analysis of the Mg/Ta/Pd films at 300–333 K proves that the increase of the hysteresis occurs due to additional mechanical work during the (de-hydrogenation cycle. With a proper temperature correction, our stress–strain analysis quantitatively and qualitatively explains the hysteresis behavior in thin films, as compared to bulk, over the whole temperature range.

Thermodynamical properties of dark energy

International Nuclear Information System (INIS)

Gong Yungui; Wang Bin; Wang Anzhong

2007-01-01

We have investigated the thermodynamical properties of dark energy. Assuming that the dark energy temperature T∼a -n and considering that the volume of the Universe enveloped by the apparent horizon relates to the temperature, we have derived the dark energy entropy. For dark energy with constant equation of state w>-1 and the generalized Chaplygin gas, the derived entropy can be positive and satisfy the entropy bound. The total entropy, including those of dark energy, the thermal radiation, and the apparent horizon, satisfies the generalized second law of thermodynamics. However, for the phantom with constant equation of state, the positivity of entropy, the entropy bound, and the generalized second law cannot be satisfied simultaneously

Thermodynamics from concepts to applications

CERN Document Server

Shavit, Arthur

2008-01-01

The book presents a logical methodology for solving problems in the context of conservation laws and property tables or equations. The authors elucidate the terms around which thermodynamics has historically developed, such as work, heat, temperature, energy, and entropy. Using a pedagogical approach that builds from basic principles to laws and eventually corollaries of the laws, the text enables students to think in clear and correct thermodynamic terms as well as solve real engineering problems.

Thermodynamic Optimization of Supercritical CO{sub 2} Brayton Cycles

Energy Technology Data Exchange (ETDEWEB)

Rhim, Dong-Ryul; Park, Sung-Ho; Kim, Su-Hyun; Yeom, Choong-Sub [Institute for Advanced Engineering, Yongin (Korea, Republic of)

2015-05-15

The supercritical CO{sub 2} Brayton cycle has been studied for nuclear applications, mainly for one of the alternative power conversion systems of the sodium cooled fast reactor, since 1960's. Although the supercritical CO{sub 2} Brayton cycle has not been expected to show higher efficiency at lower turbine inlet temperature over the conventional steam Rankine cycle, the higher density of supercritical CO{sub 2} like a liquid in the supercritical region could reduce turbo-machinery sizes, and the potential problem of sodium-water reaction with the sodium cooled fast reactor might be solved with the use of CO{sub 2} instead of water. The supercritical CO{sub 2} recompression Brayton cycle was proposed for the better thermodynamic efficiency than for the simple supercritical CO{sub 2} Brayton cycle. Thus this paper presents the efficiencies of the supercritical CO{sub 2} recompression Brayton cycle along with several decision variables for the thermodynamic optimization of the supercritical CO{sub 2} recompression Brayton cycle. The analytic results in this study show that the system efficiency reaches its maximum value at a compressor outlet pressure of 200 bars and a recycle fraction of 30 %, and the lower minimum temperature approach at the two heat exchangers shows higher system efficiency as expected.

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

Thermodynamic modeling of hydrogen storage capacity in Mg-Na alloys.

Science.gov (United States)

Abdessameud, S; Mezbahul-Islam, M; Medraj, M

2014-01-01

Thermodynamic modeling of the H-Mg-Na system is performed for the first time in this work in order to understand the phase relationships in this system. A new thermodynamic description of the stable NaMgH3 hydride is performed and the thermodynamic models for the H-Mg, Mg-Na, and H-Na systems are reassessed using the modified quasichemical model for the liquid phase. The thermodynamic properties of the ternary system are estimated from the models of the binary systems and the ternary compound using CALPHAD technique. The constructed database is successfully used to reproduce the pressure-composition isotherms for MgH2 + 10 wt.% NaH mixtures. Also, the pressure-temperature equilibrium diagram and reaction paths for the same composition are predicted at different temperatures and pressures. Even though it is proved that H-Mg-Na does not meet the DOE hydrogen storage requirements for onboard applications, the best working temperatures and pressures to benefit from its full catalytic role are given. Also, the present database can be used for thermodynamic assessments of higher order systems.

Thermodynamic properties of cesium in the gaseous phase

International Nuclear Information System (INIS)

Vargaftik, N.B.; Voljak, L.D.; Stepanov, V.G.

1985-01-01

Tables of the thermodynamic properties of caesium in the gaseous phase are presented for a wide range of temperature and pressure. The thermodynamic properties include: enthalpy, entropy, specific heat, specific volume, sound velocity and compressibility factor. The values have been calculated from pressure-volume-temperature measurements by various authors. Experimental apparatus to determine these measurements is described, together with an outline of the method employed to process the results, and the error estimates. (U.K.)

Rapid determination of thermodynamic parameters from one-dimensional programmed-temperature gas chromatography for use in retention time prediction in comprehensive multidimensional chromatography.

Science.gov (United States)

McGinitie, Teague M; Ebrahimi-Najafabadi, Heshmatollah; Harynuk, James J

2014-01-17

A new method for estimating the thermodynamic parameters of ΔH(T0), ΔS(T0), and ΔCP for use in thermodynamic modeling of GC×GC separations has been developed. The method is an alternative to the traditional isothermal separations required to fit a three-parameter thermodynamic model to retention data. Herein, a non-linear optimization technique is used to estimate the parameters from a series of temperature-programmed separations using the Nelder-Mead simplex algorithm. With this method, the time required to obtain estimates of thermodynamic parameters a series of analytes is significantly reduced. This new method allows for precise predictions of retention time with the average error being only 0.2s for 1D separations. Predictions for GC×GC separations were also in agreement with experimental measurements; having an average relative error of 0.37% for (1)tr and 2.1% for (2)tr. Copyright © 2013 Elsevier B.V. All rights reserved.

Thermodynamics of Crystalline States

CERN Document Server

Fujimoto, Minoru

2013-01-01

Thermodynamics is a well-established discipline of physics for properties of matter in thermal equilibrium with the surroundings. Applying to crystals, however, the laws encounter undefined properties of crystal lattice, which therefore need to be determined for a clear and well-defined description of crystalline states. Thermodynamics of Crystalline States explores the roles played by order variables and dynamic lattices in crystals in a wholly new way. The book begins by clarifying basic concepts for stable crystals. Next, binary phase transitions are discussed to study collective motion of order variables, as described mostly as classical phenomena. New to this edition is the examination of magnetic crystals, where magnetic symmetry is essential for magnetic phase transitions. The multi-electron system is also discussed  theoretically, as a quantum-mechanical example, for superconductivity in metallic crystals. Throughout the book, the role played by the lattice is emphasized and studied in-depth. Thermod...

Collaborative Research: Process-Resolving Decomposition of the Global Temperature Response to Modes of Low Frequency Variability in a Changing Climate

Energy Technology Data Exchange (ETDEWEB)

Deng, Yi [Georgia Inst. of Technology, Atlanta, GA (United States)

2014-11-24

DOE-GTRC-05596 11/24/2104 Collaborative Research: Process-Resolving Decomposition of the Global Temperature Response to Modes of Low Frequency Variability in a Changing Climate PI: Dr. Yi Deng (PI) School of Earth and Atmospheric Sciences Georgia Institute of Technology 404-385-1821, yi.deng@eas.gatech.edu El Niño-Southern Oscillation (ENSO) and Annular Modes (AMs) represent respectively the most important modes of low frequency variability in the tropical and extratropical circulations. The projection of future changes in the ENSO and AM variability, however, remains highly uncertain with the state-of-the-science climate models. This project conducted a process-resolving, quantitative evaluations of the ENSO and AM variability in the modern reanalysis observations and in climate model simulations. The goal is to identify and understand the sources of uncertainty and biases in models’ representation of ENSO and AM variability. Using a feedback analysis method originally formulated by one of the collaborative PIs, we partitioned the 3D atmospheric temperature anomalies and surface temperature anomalies associated with ENSO and AM variability into components linked to 1) radiation-related thermodynamic processes such as cloud and water vapor feedbacks, 2) local dynamical processes including convection and turbulent/diffusive energy transfer and 3) non-local dynamical processes such as the horizontal energy transport in the oceans and atmosphere. In the past 4 years, the research conducted at Georgia Tech under the support of this project has led to 15 peer-reviewed publications and 9 conference/workshop presentations. Two graduate students and one postdoctoral fellow also received research training through participating the project activities. This final technical report summarizes key scientific discoveries we made and provides also a list of all publications and conference presentations resulted from research activities at Georgia Tech. The main findings include

Thermodynamics of the Schwarzschild-de Sitter black hole: Thermal stability of the Nariai black hole

International Nuclear Information System (INIS)

Myung, Yun Soo

2008-01-01

We study the thermodynamics of the Schwarzschild-de Sitter black hole in five dimensions by introducing two temperatures based on the standard and Bousso-Hawking normalizations. We use the first-law of thermodynamics to derive thermodynamic quantities. The two temperatures indicate that the Nariai black hole is thermodynamically unstable. However, it seems that black hole thermodynamics favors the standard normalization and does not favor the Bousso-Hawking normalization

Variable Temperature Equipment for a Commercial Magnetic Susceptibility Balance

Science.gov (United States)

Lotz, Albert

2008-01-01

Variable temperature equipment for the magnetic susceptibility balance MSB-MK1 of Sherwood Scientific, Ltd., is described. The sample temperature is controlled with streaming air heated by water in a heat exchanger. Whereas the balance as sold commercially can be used only for room temperature measurements, the setup we designed extends the…

A combined variable temperature 600 MHz NMR/MD study of the calcium release agent cyclic adenosine diphosphate ribose (cADPR): Structure, conformational analysis, and thermodynamics of the conformational equilibria.

Science.gov (United States)

Javornik, Uroš; Plavec, Janez; Wang, Baifan; Graham, Steven M

2018-01-02

A combined variable temperature 600 MHz NMR/molecular dynamics study of the Ca 2+ -release agent cyclic adenosine 5'-diphosphate ribose (cADPR) was conducted. In addition to elucidating the major and minor orientations of the conformationally flexible furanose rings, γ- (C4'-C5'), and β- (C5'-O5') bonds, the thermodynamics (ΔH o , ΔS o ) associated with each of these conformational equilibria were determined. Both furanose rings were biased towards a south conformation (64-74%) and both β-bonds heavily favored trans conformations. The R-ring γ-bond was found to exist almost exclusively as the γ + conformer, whereas the A-ring γ-bond was a mixture of the γ + and γ t conformers, with the trans conformer being slightly favored. Enthalpic factors accounted for most of the observed conformational preferences, although the R-ring furanose exists as its major conformation based solely on entropic factors. There was excellent agreement between the NMR and MD results, particularly with regard to the conformer identities, but the MD showed a bias towards γ + conformers. The MD results showed that both N-glycosidic χ-bonds are exclusively syn. Collectively the data allowed for the construction of a model for cADPR in which many of the conformationally flexible units in fact effectively adopt single orientations and where most of the conformational diversity resides in its A-ring furanose and γ-bond. Copyright © 2017 Elsevier Ltd. All rights reserved.

Condensation: Passenger Not Driver in Atmospheric Thermodynamics

Directory of Open Access Journals (Sweden)

Jack Denur

2016-11-01

Full Text Available The second law of thermodynamics states that processes yielding work or at least capable of yielding work are thermodynamically spontaneous, and that those costing work are thermodynamically nonspontaneous. Whether a process yields or costs heat is irrelevant. Condensation of water vapor yields work and hence is thermodynamically spontaneous only in a supersaturated atmosphere; in an unsaturated atmosphere it costs work and hence is thermodynamically nonspontaneous. Far more of Earth’s atmosphere is unsaturated than supersaturated; based on this alone evaporation is far more often work-yielding and hence thermodynamically spontaneous than condensation in Earth’s atmosphere—despite condensation always yielding heat and evaporation always costing heat. Furthermore, establishment of the unstable or at best metastable condition of supersaturation, and its maintenance in the face of condensation that would wipe it out, is always work-costing and hence thermodynamically nonspontaneous in Earth’s atmosphere or anywhere else. The work required to enable supersaturation is most usually provided at the expense of temperature differences that enable cooling to below the dew point. In the case of most interest to us, convective weather systems and storms, it is provided at the expense of vertical temperature gradients exceeding the moist adiabatic. Thus, ultimately, condensation is a work-costing and hence thermodynamically nonspontaneous process even in supersaturated regions of Earth’s or any other atmosphere. While heat engines in general can in principle extract all of the work represented by any temperature difference until it is totally neutralized to isothermality, convective weather systems and storms in particular cannot. They can extract only the work represented by partial neutralization of super-moist-adiabatic lapse rates to moist-adiabaticity. Super-moist-adiabatic lapse rates are required to enable convection of saturated air

A point of view on Otto cycle approach specific for an undergraduate thermodynamics course in CMU

Science.gov (United States)

Memet, F.; Preda, A.

2015-11-01

This paper refers to the description of the way in which can be presented to future marine engineers the analyzis of the performance of an Otto cycle, in a manner which is beyond the classic approach of the course of thermodynamics in Constanta Maritime University. The conventional course of thermodynamics is dealing with the topic of performance analysis of the cycle of the internal combustion engine with isochoric combustion for the situation in which the working medium is treated as such a perfect gas. This type of approach is viable only when are considered relatively small temperature differences. But this is the situation when specific heats are seen as constant. Instead, the practical experience has shown that small temperature differences are not viable, resulting the need for variable specific heat evaluation. The presentation bellow is available for the adiabatic exponent written as a liniar function depending on temperature. In the section of this paper dedicated to methods and materials, the situation in which the specific heat is taken as constant is not neglected, additionaly being given the algorithm for variable specific heat.For the both cases it is given the way in which it is assessed the work output. The calculus is based on the cycle shown in temperature- entropy diagram, in which are also indicated the irreversible adiabatic compression and expansion. The experience achieved after understanding this theory will allow to future professionals to deal successfully with the design practice of internal combustion engines.

Low temperature measurements of the heat capacity and thermodynamic functions of pseudo-malachite Cu5(PO4)2(OH)4

International Nuclear Information System (INIS)

Bissengaliyeva, M.R.; Gogol, D.B.; Bekturganov, N.S.

2012-01-01

The investigation of the heat capacity of a natural specimen of copper phosphate—pseudo-malachite Cu 5 (PO 4 ) 2 (OH) 4 in the temperature range between 4.2 K and 320 K has been carried out by the method of low-temperature adiabatic calorimetry. Tabulated values of the heat capacity and thermodynamic functions of the mineral including the changes of entropy and enthalpy and the Gibbs function of free energy have been calculated. The standard values of thermodynamic functions of pseudo-malachite at T = 298.15 K are C p,m ° =(385.43±0.41)J mole −1  K −1 , Δ 0 T S m ° =(412.16±0.61)J mole −1  K −1 , Δ 0 T H m ° =(63681.5±57.0)J mole −1 , F m ° =(198.57±0.47)J mole −1  K −1 . In the low-temperature area 0 tr = (5.772 ± 0.081) J mole −1 K −1 , ΔH tr = (29.94 ± 0.42) J mole −1 .

Comparing daily temperature averaging methods: the role of surface and atmosphere variables in determining spatial and seasonal variability

Science.gov (United States)

Bernhardt, Jase; Carleton, Andrew M.

2018-05-01

The two main methods for determining the average daily near-surface air temperature, twice-daily averaging (i.e., [Tmax+Tmin]/2) and hourly averaging (i.e., the average of 24 hourly temperature measurements), typically show differences associated with the asymmetry of the daily temperature curve. To quantify the relative influence of several land surface and atmosphere variables on the two temperature averaging methods, we correlate data for 215 weather stations across the Contiguous United States (CONUS) for the period 1981-2010 with the differences between the two temperature-averaging methods. The variables are land use-land cover (LULC) type, soil moisture, snow cover, cloud cover, atmospheric moisture (i.e., specific humidity, dew point temperature), and precipitation. Multiple linear regression models explain the spatial and monthly variations in the difference between the two temperature-averaging methods. We find statistically significant correlations between both the land surface and atmosphere variables studied with the difference between temperature-averaging methods, especially for the extreme (i.e., summer, winter) seasons (adjusted R2 > 0.50). Models considering stations with certain LULC types, particularly forest and developed land, have adjusted R2 values > 0.70, indicating that both surface and atmosphere variables control the daily temperature curve and its asymmetry. This study improves our understanding of the role of surface and near-surface conditions in modifying thermal climates of the CONUS for a wide range of environments, and their likely importance as anthropogenic forcings—notably LULC changes and greenhouse gas emissions—continues.

Thermodynamic Analysis of Closed Steady or Cyclic Systems

Directory of Open Access Journals (Sweden)

Jim McGovern

2015-09-01

Full Text Available Closed, steady or cyclic thermodynamic systems, which have temperature variations over their boundaries, can represent an extremely large range of plants, devices or natural objects, such as combined heating, cooling and power plants, computers and data centres, and planets. Energy transfer rates can occur across the boundary, which are characterized as heat or work. We focus on the finite time thermodynamics aspects, on energy-based performance parameters, on rational efficiency and on the environmental reference temperature. To do this, we examine the net work rate of a closed, steady or cyclic system bounded by thermal resistances linked to isothermal reservoirs in terms of the first and second laws of thermodynamics. Citing relevant references from the literature, we propose a methodology that can improve the thermodynamic analysis of an energy-transforming or an exergy-destroying plant. Through the reflections and analysis presented, we have found an explanation of the second law that clarifies the link between the Clausius integral of heat over temperature and the reference temperature of the Gouy–Stodola theorem. With this insight and approach, the specification of the environmental reference temperature in exergy analysis becomes more solid. We have explained the relationship between the Curzon Ahlborn heat engine and an irreversible Carnot heat engine. We have outlined the nature of subsystem rational efficiencies and have found Rant’s anergy to play an important role. We postulate that heat transfer through thermal resistance is the sole basis of irreversibility.

Verma procedure to determine thermodynamic properties of liquids; Procedimiento Verma para determinar propiedades termodinamicas de liquidos

Energy Technology Data Exchange (ETDEWEB)

Mahendra P, Verma [Instituto de Investigaciones Electricas, Cuernavaca, Morelos (Mexico)

2005-07-01

In this paper are presented, the thermodynamic inconsistencies in formulation IAPWS-95 as well as the limitations in the experimental data of the thermodynamic properties of the water. In addition, a new methodology was developed: Verma procedure for the measurement of the calorific capacity of water. Thus, a procedure is presented to calculate other thermodynamic properties of liquids such as water. In the transformation processes of the planet Earth, water is an essential component. Nevertheless, the knowledge about its properties is still very limited. Recently, Verma developed a new program: SteamTablesIIE, to calculate the properties of water as a function of two independent variables between temperatures (T), pressure (P), volume (V), internal energy (U), enthalpy (H), Gibas energy (G) and entropy (S). Yet, thermodynamic inconsistencies were found in the formulation, same that are the limiting factors for the operation of the SteamTablesIIE in all the ranks of the independent variables. [Spanish] En este trabajo se presentan, tanto las inconsistencias termodinamicas en la formulacion IAPWS-95 como las limitaciones en los datos experimentales de las propiedades termodinamicas del agua. Ademas, se desarrollo una nueva metodologia: Procedimiento Verma para la medicion de la capacidad calorifica del agua. Asi, se presenta un procedimiento para calcular otras propiedades termodinamicas de liquidos tales como el agua. En los procesos de transformacion del planeta tierra, el agua es un componente esencial. Sin embargo, el conocimiento acerca de sus propiedades es todavia muy limitado. Recientemente, Verma desarrollo un nuevo programa: SteamTablesIIE, para calcular las propiedades del agua como una funcion de dos variables independientes entre temperaturas (T), presion (P), volumen (V), energia interna (U), entalpia (H), energia Gibas (G) y entropia (S). Con todo, se encontraron inconsistencias termodinamicas en la formulacion, mismas que son las limitantes para el

Vacancy formation energies in close-packed crystals correlated with melting temperature via thermodynamics and liquid structure

International Nuclear Information System (INIS)

Rashid, R.I.M.A.; March, N.H.

1988-08-01

In earlier work, the vacancy formation energy E v in close-packed crystals, in units of the thermal energy k B T m at the melting temperature T m , has been connected with compressibility and specific heats, plus terms dependent on the liquid structure at T m . Here, this connection has been examined quantitatively for (a) the insulating condensed rare gases Ne, Ar and Kr, and (b) a variety of close-packed metals. For case (a), E v /k B T m can be calculated directly from thermodynamic data to obtain agreement with experiment for Ar and Kr, though not for Ne. A 'residual' contribution is estimated for Ar and Kr from diffraction and computer experiments on the density dependence of the liquid pair correlation function and is shown to be very small. Agreement is less impressive for case (b) for the eight close-packed metals for which all data required is known, the thermodynamic formula giving an average value E v /k B T m =7.8+-1.1 whereas experiment yields 9.4+-1.8. However, for the body-centred cubic alkalis the thermodynamic average value of 4.5+-0.5 is much lower than the experimental value 11.5+-2.0 consistent with the known role of ionic relaxation round the vacancy in such open structures. (author). 16 refs, 2 tabs

Thermodynamic analysis of acetone sensing in Pd/AlGaN/GaN heterostructure Schottky diodes at low temperatures

International Nuclear Information System (INIS)

Das, Subhashis; Majumdar, Shubhankar; Kumar, Rahul; Ghosh, Saptarsi; Biswas, Dhrubes

2016-01-01

An AlGaN/GaN heterostructure based metal–semiconductor–metal symmetrically bi-directional Schottky diode sensor structure has been employed to investigate acetone sensing and to analyze thermodynamics of acetone adsorption at low temperatures. The AlGaN/GaN heterostructure has been grown by plasma-assisted molecular beam epitaxy on Si (111). Schottky diode parameters at different temperatures and acetone concentrations have been extracted from I–V characteristics. Sensitivity and change in Schottky barrier height have been studied. Optimum operating temperature has been established. Coverage of acetone adsorption sites at the AlGaN surface and the effective equilibrium rate constant of acetone adsorption have been explored to determine the endothermic nature of acetone adsorption enthalpy.

Swelling and thermodynamic studies of temperature responsive 2-hydroxyethyl methacrylate/itaconic acid copolymeric hydrogels prepared via gamma radiation

International Nuclear Information System (INIS)

Tomic, Simonida L.J.; Micic, Maja M.; Filipovic, Jovanka M.; Suljovrujic, Edin H.

2007-01-01

The copolymeric hydrogels based on 2-hydroxyethyl methacrylate (HEMA) and itaconic acid (IA) were synthesized by gamma radiation induced radical polymerization. Swelling and thermodynamic properties of PHEMA and copolymeric P(HEMA/IA) hydrogels with different IA contents (2, 3.5 and 5 mol%) were studied in a wide pH and temperature range. Initial studies of so-prepared hydrogels show interesting pH and temperature sensitivity in swelling and drug release behavior. Special attention was devoted to temperature investigations around physiological temperature (37 deg. C), where small changes in temperature significantly influence swelling and drug release of these hydrogels. Due to maximum swelling of hydrogels around 40 deg. C, the P(HEMA/IA) hydrogel containing 5 mol% of IA without and with drug-antibiotic (gentamicin) were investigated at pH 7.40 and in the temperature range 25-42 deg. C, in order to evaluate their potential for medical applications

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.

Air temperature variability in a high-elevation Himalayan catchment

NARCIS (Netherlands)

Heynen, Martin; Miles, Evan; Ragettli, Silvan; Buri, Pascal; Immerzeel, Walter W.; Pellicciotti, Francesca

2016-01-01

Air temperature is a key control of processes affecting snow and glaciers in high-elevation catchments, including melt, snowfall and sublimation. It is therefore a key input variable to models of land-surface-atmosphere interaction. Despite this importance, its spatial variability is poorly

Thermodynamic analysis of the reduction process of Colombian lateritic nickel ore

International Nuclear Information System (INIS)

Diaz, S. C.; Garces, A.; Restrepo, O. J.; Lara, M. A.; Camporredondo, J. E.

2015-01-01

The Colombian nickeliferous laterites are minerals used for the nickel extraction by hydrometallurgical and pyrometallurgical processes. In this work the thermodynamic behaviour of three Colombian lateritic mineral samples are described, with contents of 1.42%, 1.78% y 2.04% of nickel, when they are subjected to the calcination and reduction processes. The mineral was characterized using X Rays Diffraction and X Rays Fluorescence, giving evidence of the presence of mineralogical species such as nepouite (Ni 3 Si 2 O 5 (OH) 4 ), goethite (Fe 2 O 3 .H 2 O), silica (SiO 2 ), antigorite (Mg 3 Si 2 O 5 (OH) 4 ) and fosferite (Mg 2 SiO 4 ). The thermodynamic analysis was conducted using the software HSC Chemistry for Windows 5.1 and was focused in the quantitative determination of the chemical evolution of the mixture of these minerals with variable quantities of coal, in function of temperature. The results produced by the program showed, in the equilibrium, the feasibility of complete reduction of the nickel, and additionally, a considerable high percentage of reduction of iron oxides (up to 99%) using ratio C/O .1 at temperatures close to 1100 degree centigrade. (Author)

Insight into the Am-O Phase Equilibria: A Thermodynamic Study Coupling High-Temperature XRD and CALPHAD Modeling.

Science.gov (United States)

Epifano, Enrica; Guéneau, Christine; Belin, Renaud C; Vauchy, Romain; Lebreton, Florent; Richaud, Jean-Christophe; Joly, Alexis; Valot, Christophe; Martin, Philippe M

2017-07-03

In the frame of minor actinide transmutation, americium can be diluted in UO 2 and (U, Pu)O 2 fuels burned in fast neutron reactors. The first mandatory step to foresee the influence of Am on the in-reactor behavior of transmutation targets or fuel is to have fundamental knowledge of the Am-O binary system and, in particular, of the AmO 2-x phase. In this study, we coupled HT-XRD (high-temperature X-ray diffraction) experiments with CALPHAD thermodynamic modeling to provide new insights into the structural properties and phase equilibria in the AmO 2-x -AmO 1.61+x -Am 2 O 3 domain. Because of this approach, we were able for the first time to assess the relationships between temperature, lattice parameter, and hypostoichiometry for fcc AmO 2-x . We showed the presence of a hyperstoichiometric existence domain for the bcc AmO 1.61+x phase and the absence of a miscibility gap in the fcc AmO 2-x phase, contrary to previous representations of the phase diagram. Finally, with the new experimental data, a new CALPHAD thermodynamic model of the Am-O system was developed, and an improved version of the phase diagram is presented.

Thermodynamic evaluation of the Ti-Al-O ternary system

International Nuclear Information System (INIS)

Lee, B.-J.

1997-01-01

A thermodynamic evaluation of the Ti-Al-O ternary system has been made by using thermodynamic models for the Gibbs energy of individual phases. A consistent model parameter set was determined so that the calculation of isothermal sections and other thermodynamic quantities becomes possible. The agreement between calculation and corresponding experimental data was generally good along large temperature and composition range. (orig.)

Thermodynamic measurement of the sound velocity of a Bose gas across the transition to Bose–Einstein condensation

Science.gov (United States)

Fritsch, A. R.; Tavares, P. E. S.; Vivanco, F. A. J.; Telles, G. D.; Bagnato, V. S.; Henn, E. A. L.

2018-05-01

We present an alternative method for determining the sound velocity in atomic Bose–Einstein condensates, based on thermodynamic global variables. The total number of trapped atoms was as a function of temperature carefully studied across the phase transition, at constant volume. It allowed us to evaluate the sound velocity resulting in consistent values from the quantum to classical regime, in good agreement with previous results found in literature. We also provide some insight about the dominant sound mode (thermal or superfluid) across a wide temperature range.

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.

Temperature, pressure, and electrochemical constraints on protein speciation: Group additivity calculation of the standard molal thermodynamic properties of ionized unfolded proteins

Directory of Open Access Journals (Sweden)

J. M. Dick

2006-01-01

Full Text Available Thermodynamic calculations can be used to quantify environmental constraints on the speciation of proteins, such as the pH and temperature dependence of ionization state, and the relative chemical stabilities of proteins in different biogeochemical settings. These calculations depend in part on values of the standard molal Gibbs energies of proteins and their ionization reactions as a function of temperature and pressure. Because these values are not generally available, we calculated values of the standard molal thermodynamic properties at 25°C and 1 bar as well as the revised Helgeson-Kirkham-Flowers equations of state parameters of neutral and charged zwitterionic reference model compounds including aqueous amino acids, polypeptides, and unfolded proteins. The experimental calorimetric and volumetric data for these species taken from the literature were combined with group additivity algorithms to calculate the properties and parameters of neutral and ionized sidechain and backbone groups in unfolded proteins. The resulting set of group contributions enables the calculation of the standard molal Gibbs energy, enthalpy, entropy, isobaric heat capacity, volume, and isothermal compressibility of unfolded proteins in a range of proton ionization states to temperatures and pressures exceeding 100°C and 1000 bar. This approach provides a useful frame of reference for thermodynamic studies of protein folding and complexation reactions. It can also be used to assign provisional values of the net charge and Gibbs energy of ionized proteins as a function of temperature and pH. Using these values, an Eh-pH diagram for a reaction representing the speciation of extracellular proteins from Pyrococcus furiosus and Bacillus subtilis was generated. The predicted predominance limits of these proteins correspond with the different electrochemical conditions of hydrothermal vents and soils. More comprehensive calculations of this kind may reveal pervasive

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

International Nuclear Information System (INIS)

Puigdomenech, I.; Bruno, J.

1995-04-01

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

The thermodynamic solar energy; Le solaire thermodynamique

Energy Technology Data Exchange (ETDEWEB)

Rivoire, B. [Centre National de la Recherche Scientifique (CNRS-IMP), 66 - Perpignan (France)

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.)

Thermodynamic calculations in ternary titanium–aluminium–manganese system

Directory of Open Access Journals (Sweden)

ANA I. KOSTOV

2008-04-01

Full Text Available Thermodynamic calculations in the ternary Ti–Al–Mn system are shown in this paper. The thermodynamic calculations were performed using the FactSage thermochemical software and database, with the aim of determining thermodynamic properties, such as activities, coefficient of activities, partial and integral values of the enthalpies and Gibbs energies of mixing and excess energies at two different temperatures: 2000 and 2100 K. Bearing in mind that no experimental data for the Ti–Al–Mn ternary system have been obtained or reported. The obtained results represent a good base for further thermodynamic analysis and may be useful as a comparison with some future critical experimental results and thermodynamic optimization of this system.

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.

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

Thermodynamic Modeling of Hydrogen Storage Capacity in Mg-Na Alloys

Science.gov (United States)

Abdessameud, S.; Mezbahul-Islam, M.; Medraj, M.

2014-01-01

Thermodynamic modeling of the H-Mg-Na system is performed for the first time in this work in order to understand the phase relationships in this system. A new thermodynamic description of the stable NaMgH3 hydride is performed and the thermodynamic models for the H-Mg, Mg-Na, and H-Na systems are reassessed using the modified quasichemical model for the liquid phase. The thermodynamic properties of the ternary system are estimated from the models of the binary systems and the ternary compound using CALPHAD technique. The constructed database is successfully used to reproduce the pressure-composition isotherms for MgH2 + 10 wt.% NaH mixtures. Also, the pressure-temperature equilibrium diagram and reaction paths for the same composition are predicted at different temperatures and pressures. Even though it is proved that H-Mg-Na does not meet the DOE hydrogen storage requirements for onboard applications, the best working temperatures and pressures to benefit from its full catalytic role are given. Also, the present database can be used for thermodynamic assessments of higher order systems. PMID:25383361

Peaceful nuclear explosions and thermodynamics

International Nuclear Information System (INIS)

Prieto, F.E.

1975-01-01

Some theoretical advances in the thermodynamics of very high pressures are reviewed. A universal (system-independent) formulation of the thermodynamics is sketched, and some of the equations more frequently used are written in system-independent form. Among these equations are: Hugoniot pressure and temperature as functions of volume; the Mie-Gruneisen equation; and an explicit form for the equation of state. It is also shown that this formalism can be used to interpret and predict results from peaceful nuclear explosions. (author)

Effect of alkyl chain length and temperature on the thermodynamic properties of ionic liquids 1-alkyl-3-methylimidazolium bromide in aqueous and non-aqueous solutions at different temperatures

International Nuclear Information System (INIS)

Sadeghi, Rahmat; Shekaari, Hemayat; Hosseini, Rahim

2009-01-01

The alkyl chain length of 1-alkyl-3-methylimidazolium bromide ([Rmim][Br], R = propyl (C 3 ), hexyl (C 6 ), heptyl (C 7 ), and octyl (C 8 )) was varied to prepare a series of room-temperature ionic liquids (RTILs), and experimental measurements of density and speed of sound at different temperatures ranging from (288.15 to 308.15) K for their aqueous and methanolic solutions in the dilute concentration region (0.01 to 0.30) mol . kg -1 were taken. The values of the compressibilities, expansivity and apparent molar properties for [C n mim][Br] in aqueous and methanolic solutions were determined at the investigated temperatures. The obtained apparent molar volumes and apparent molar isentropic compressibilities were fitted to the Redlich-Mayer and the Pitzer's equations from which the corresponding infinite dilution molar properties were obtained. The values of the infinite dilution molar properties were used to obtain some information about solute-solvent and solute-solute interactions. The thermodynamic properties of investigated ionic liquids in aqueous solutions have been compared with those in methanolic solutions. Also, the comparison between thermodynamic properties of investigated solutions and those of electrolyte solutions, polymer solutions, cationic surfactant solutions and tetraalkylammonium salt solutions have been made

Effect of alkyl chain length and temperature on the thermodynamic properties of ionic liquids 1-alkyl-3-methylimidazolium bromide in aqueous and non-aqueous solutions at different temperatures

Energy Technology Data Exchange (ETDEWEB)

Sadeghi, Rahmat [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of)], E-mail: rahsadeghi@yahoo.com; Shekaari, Hemayat [Department of Chemistry, Faculty of Science, University of Mohaghegh Ardabili, Ardabil (Iran, Islamic Republic of); Hosseini, Rahim [Department of Chemistry, University of Kurdistan, Sanandaj (Iran, Islamic Republic of)

2009-02-15

The alkyl chain length of 1-alkyl-3-methylimidazolium bromide ([Rmim][Br], R = propyl (C{sub 3}), hexyl (C{sub 6}), heptyl (C{sub 7}), and octyl (C{sub 8})) was varied to prepare a series of room-temperature ionic liquids (RTILs), and experimental measurements of density and speed of sound at different temperatures ranging from (288.15 to 308.15) K for their aqueous and methanolic solutions in the dilute concentration region (0.01 to 0.30) mol . kg{sup -1} were taken. The values of the compressibilities, expansivity and apparent molar properties for [C{sub n}mim][Br] in aqueous and methanolic solutions were determined at the investigated temperatures. The obtained apparent molar volumes and apparent molar isentropic compressibilities were fitted to the Redlich-Mayer and the Pitzer's equations from which the corresponding infinite dilution molar properties were obtained. The values of the infinite dilution molar properties were used to obtain some information about solute-solvent and solute-solute interactions. The thermodynamic properties of investigated ionic liquids in aqueous solutions have been compared with those in methanolic solutions. Also, the comparison between thermodynamic properties of investigated solutions and those of electrolyte solutions, polymer solutions, cationic surfactant solutions and tetraalkylammonium salt solutions have been made.

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

THE INFLUENCE OF EUROPEAN CLIMATE VARIABILITY MECHANISM ON AIR TEMPERATURE IN ROMANIA

Directory of Open Access Journals (Sweden)

M. MATEI

2013-03-01

Full Text Available The main objective of the present paper is to analyze the temporal and spatial variability of air-temperature in Romania, by using mean air-temperature values provided by the ECA&D project (http://eca.knmi.nl/. These data sets will be filtered by means of the EOF (Empirical Orthogonal Function analysis, which describes various modes of space variability and time coefficient series (PC series. The EOF analysis will also be used to identify the main way of action of the European climate variability mechanism, by using multiple variables in grid points, provided by the National Centre of Atmospheric Research (NCAR, USA. The variables considered here are: sea level pressure (SLP, geopotential height at 500 mb (H500 and air temperature at 850 mb (T850, for the summer and winter seasons. The linear trends and shift points of considered variables are then assessed by means of the Mann-Kendall and Pettitt non-parametric tests. By interpreting the results, we can infer that there is causal relationship between the large-scale analyzed parameters and temperature variability in Romania. These results are consistent with those presented by Busuioc et al., 2010, where the main variation trends of the principal European variables are shown.

Volumetric studies and thermodynamics of viscous flow of hydroxamic acids in acetone + water solvent at temperatures 303.15 and 313.15 K

International Nuclear Information System (INIS)

Tiwari, Vaishali; Pande, Rama

2006-01-01

Densities ρ and viscosities η of two hydroxamic acids, N-phenyl-2-chlorobenzo- and N-o-tolyl-4-chlorobenzo-, have been determined as a function of their concentration in aqueous acetone solution at temperatures 303.15 and 313.15 K. Apparent molar volumes, standard-state partial molar volumes and relative viscosities have been calculated. The viscosity data have been analyzed using Jones-Dole equation. The activation thermodynamic parameters of viscous flow have been evaluated using Feakins equation. These were obtained to throw light on the mechanism of viscous flow. Thermodynamic interactions in solutions have been studied in terms of a number of excess functions calculated from the experimental data. The effect of hydroxamic acid concentration and temperature on these parameters has been discussed. The results were interpreted in the light of solute-solvent interactions in aquo-organic media

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.)

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

A thermodynamic approach to model the caloric properties of semicrystalline polymers

Science.gov (United States)

Lion, Alexander; Johlitz, Michael

2016-05-01

It is well known that the crystallisation and melting behaviour of semicrystalline polymers depends in a pronounced manner on the temperature history. If the polymer is in the liquid state above the melting point, and the temperature is reduced to a level below the glass transition, the final degree of crystallinity, the amount of the rigid amorphous phase and the configurational state of the mobile amorphous phase strongly depend on the cooling rate. If the temperature is increased afterwards, the extents of cold crystallisation and melting are functions of the heating rate. Since crystalline and amorphous phases exhibit different densities, the specific volume depends also on the temperature history. In this article, a thermodynamically based phenomenological approach is developed which allows for the constitutive representation of these phenomena in the time domain. The degree of crystallinity and the configuration of the amorphous phase are represented by two internal state variables whose evolution equations are formulated under consideration of the second law of thermodynamics. The model for the specific Gibbs free energy takes the chemical potentials of the different phases and the mixture entropy into account. For simplification, it is assumed that the amount of the rigid amorphous phase is proportional to the degree of crystallinity. An essential outcome of the model is an equation in closed form for the equilibrium degree of crystallinity in dependence on pressure and temperature. Numerical simulations demonstrate that the process dependences of crystallisation and melting under consideration of the glass transition are represented.

Thermodynamic properties of a liquid crystal carbosilane dendrimer

Science.gov (United States)

Samosudova, Ya. S.; Markin, A. V.; Smirnova, N. N.; Ogurtsov, T. G.; Boiko, N. I.; Shibaev, V. P.

2016-11-01

The temperature dependence of the heat capacity of a first-generation liquid crystal carbosilane dendrimer with methoxyphenyl benzoate end groups is studied for the first time in the region of 6-370 K by means of precision adiabatic vacuum calorimetry. Physical transformations are observed in this interval of temperatures, and their standard thermodynamic characteristics are determined and discussed. Standard thermodynamic functions C p ° ( T), H°( T) - H°(0), S°( T) - S°(0), and G°( T) - H°(0) are calculated from the obtained experimental data for the region of T → 0 to 370 K. The standard entropy of formation of the dendrimer in the partially crystalline state at T = 298.15 K is calculated, and the standard entropy of the hypothetic reaction of its synthesis at this temperature is estimated. The thermodynamic properties of the studied dendrimer are compared to those of second- and fourth-generation liquid crystal carbosilane dendrimers with the same end groups studied earlier.

Method of non-interacting thermodynamic calculation of binary phase diagrams containing p disordered phases with variable composition and q phases with constant composition at (p, q) ≤ 10

International Nuclear Information System (INIS)

Udovskij, A.L.; Karpushkin, V.N.; Nikishina, E.A.

1991-01-01

Method of non-interacting thermodynamic calculation of state diagram of binary systems contacting p disordered phases with variable composition and q phases with constant composition for (p, q) ≤ 10 case is developed. Determination of all possible solutions of phase equilibrium equations is realized in the method. Certain application examples of computer-realized method of T-x thermodynamic calculation using PC for Cr-W, Ni-W, Ni-Al, Ni-Re binary systems are given

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.

Combined thermodynamic study of nickel-base alloys. Progress report

International Nuclear Information System (INIS)

Brooks, C.R.; Meschter, P.J.

1981-01-01

Achievements during this period are the following: (1) initiation of a high-temperature study of the Ni-Ta system using the galvanic cell technique, (2) emf study of high-temperature thermodynamics in the Ni-Mo system, (3) measured heat capacity data on ordered and disordered Ni 4 Mo, (4) heat capacities of Ni and disordered Ni 3 Fe, and (5) computer correlation of thermodynamic and phase diagram data in binary Ni-base alloys

On the thermodynamics of hairy black holes

Energy Technology Data Exchange (ETDEWEB)

Anabalón, Andrés [Departamento de Ciencias, Facultad de Artes Liberales y Facultad de Ingeniería y Ciencias, Universidad Adolfo Ibáñez, Viña del Mar (Chile); Astefanesei, Dumitru [Instituto de Física, Pontificia Universidad Católica de Valparaíso, Casilla 4059, Valparaíso (Chile); Choque, David, E-mail: brst1010123@gmail.com [Universidad Técnica Federico Santa María, Av. España 1680, Valparaiso (Chile)

2015-04-09

We investigate the thermodynamics of a general class of exact 4-dimensional asymptotically Anti-de Sitter hairy black hole solutions and show that, for a fixed temperature, there are small and large hairy black holes similar to the Schwarzschild–AdS black hole. The large black holes have positive specific heat and so they can be in equilibrium with a thermal bath of radiation at the Hawking temperature. The relevant thermodynamic quantities are computed by using the Hamiltonian formalism and counterterm method. We explicitly show that there are first order phase transitions similar to the Hawking–Page phase transition.

Phase equilibria and thermodynamics of the Fe–Al–C system: Critical evaluation, experiment and thermodynamic optimization

International Nuclear Information System (INIS)

Phan, Anh Thu; Paek, Min-Kyu; Kang, Youn-Bae

2014-01-01

In order to provide an efficient tool to design alloy chemistry and processing conditions for high-strength, lightweight steel, an investigation of the Fe–Al–C ternary system was carried out by experimental phase diagram measurement and a CALPHAD thermodynamic analysis. Discrepancies between previously available experimental results and thermodynamic calculations were identified. The Fe–Al sub-binary system was re-optimized in order to obtain an accurate description of the liquid phase, while Gibbs energies of solid phases were mainly taken from a previous thermodynamic modeling. Phase equilibria among face-centered cubic (fcc)/body-centered cubic (bcc)/graphite/κ-carbide/liquid phases in the Fe–Al–C system in the temperature range from 1000 to 1400 °C were obtained by chemical equilibration followed by quenching, and subsequent composition analysis using electron probe microanalysis/inductively coupled plasma spectroscopy. By merging the revised Fe–Al binary description with existing Fe–C and Al–C binary descriptions, a complete thermodynamic description of the Fe–Al–C system was obtained in the present study. The modified quasi-chemical model in the pair approximation was used to model the liquid phase, while solid solutions were modeled using compound energy formalism. A2/B2 order/disorder transition in the bcc phase was taken into account. Compared with previously known experiments/thermodynamic modeling, a better agreement was obtained in the present study, regarding the stable region of fcc and the solidification thermal peak of a ternary alloy near the liquidus temperature. The obtained thermodynamic description also reproduced various types of experimental data in the Fe–Al–C system such as isothermal sections, vertical sections, liquidus projection, etc. The solidification of various steel grades was predicted and discussed

Local thermodynamics and the generalized Gibbs-Duhem equation in systems with long-range interactions.

Science.gov (United States)

Latella, Ivan; Pérez-Madrid, Agustín

2013-10-01

The local thermodynamics of a system with long-range interactions in d dimensions is studied using the mean-field approximation. Long-range interactions are introduced through pair interaction potentials that decay as a power law in the interparticle distance. We compute the local entropy, Helmholtz free energy, and grand potential per particle in the microcanonical, canonical, and grand canonical ensembles, respectively. From the local entropy per particle we obtain the local equation of state of the system by using the condition of local thermodynamic equilibrium. This local equation of state has the form of the ideal gas equation of state, but with the density depending on the potential characterizing long-range interactions. By volume integration of the relation between the different thermodynamic potentials at the local level, we find the corresponding equation satisfied by the potentials at the global level. It is shown that the potential energy enters as a thermodynamic variable that modifies the global thermodynamic potentials. As a result, we find a generalized Gibbs-Duhem equation that relates the potential energy to the temperature, pressure, and chemical potential. For the marginal case where the power of the decaying interaction potential is equal to the dimension of the space, the usual Gibbs-Duhem equation is recovered. As examples of the application of this equation, we consider spatially uniform interaction potentials and the self-gravitating gas. We also point out a close relationship with the thermodynamics of small systems.

The influence of thermal and conductive temperatures in a nanoscale resonator

Science.gov (United States)

Hobiny, Aatef; Abbas, Ibrahim A.

2018-06-01

In this work, the thermoelastic interaction in a nano-scale resonator based on two-temperature Green-Naghdi model is established. The nanoscale resonator ends were simply supported. In the Laplace's domain, the analytical solution of conductivity temperature and thermodynamic temperature, the displacement and the stress components are obtained. The eigenvalue approach resorted to for solutions. In the vector-matrix differential equations form, the essential equations were written. The numerical results for all variables are presented and are illustrated graphically.

Association of Finite-Time Thermodynamics and a Bond-Graph Approach for Modeling an Endoreversible Heat Engine

Directory of Open Access Journals (Sweden)

Michel Feidt

2012-03-01

Full Text Available In recent decades, the approach known as Finite-Time Thermodynamics has provided a fruitful theoretical framework for the optimization of heat engines operating between a heat source (at temperature and a heat sink (at temperature . The aim of this paper is to propose a more complete approach based on the association of Finite-Time Thermodynamics and the Bond-Graph approach for modeling endoreversible heat engines. This approach makes it possible for example to find in a simple way the characteristics of the optimal operating point at which the maximum mechanical power of the endoreversible heat engine is obtained with entropy flow rate as control variable. Furthermore it provides the analytical expressions of the optimal operating point of an irreversible heat engine where the energy conversion is accompanied by irreversibilities related to internal heat transfer and heat dissipation phenomena. This original approach, applied to an analysis of the performance of a thermoelectric generator, will be the object of a future publication.

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.

Light cone thermodynamics

Science.gov (United States)

De Lorenzo, Tommaso; Perez, Alejandro

2018-02-01

We show that null surfaces defined by the outgoing and infalling wave fronts emanating from and arriving at a sphere in Minkowski spacetime have thermodynamical properties that are in strict formal correspondence with those of black hole horizons in curved spacetimes. Such null surfaces, made of pieces of light cones, are bifurcate conformal Killing horizons for suitable conformally stationary observers. They can be extremal and nonextremal depending on the radius of the shining sphere. Such conformal Killing horizons have a constant light cone (conformal) temperature, given by the standard expression in terms of the generalization of surface gravity for conformal Killing horizons. Exchanges of conformally invariant energy across the horizon are described by a first law where entropy changes are given by 1 /(4 ℓp2) of the changes of a geometric quantity with the meaning of horizon area in a suitable conformal frame. These conformal horizons satisfy the zeroth to the third laws of thermodynamics in an appropriate way. In the extremal case they become light cones associated with a single event; these have vanishing temperature as well as vanishing entropy.

Thermodynamics of 2D string theory

International Nuclear Information System (INIS)

Alexandrov, Sergei Yu.; V.A. Fock Department of Theoretical Physics, St. Petersburg University

2003-01-01

We calculate the free energy, energy and entropy in the matrix quantum mechanical formulation of 2D string theory in a background strongly perturbed by tachyons with the imaginary minkowskian momentum ±i/R ('Sine-Liouville' theory). The system shows a thermodynamical behaviour corresponding to the temperature T={1/(2π R)}. We show that the microscopically calculated energy of the system satisfies the usual thermodynamical relations and leads to a non-zero entropy. (author)

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.

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

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...

Thermodynamic and Mechanical Analysis of a Thermomagnetic Rotary Engine

International Nuclear Information System (INIS)

Fajar, D M; Khotimah, S N; Khairurrijal

2016-01-01

A heat engine in magnetic system had three thermodynamic coordinates: magnetic intensity ℋ, total magnetization ℳ, and temperature T, where the first two of them are respectively analogous to that of gaseous system: pressure P and volume V. Consequently, Carnot cycle that constitutes the principle of a heat engine in gaseous system is also valid on that in magnetic system. A thermomagnetic rotary engine is one model of it that was designed in the form of a ferromagnetic wheel that can rotates because of magnetization change at Curie temperature. The study is aimed to describe the thermodynamic and mechanical analysis of a thermomagnetic rotary engine and calculate the efficiencies. In thermodynamic view, the ideal processes are isothermal demagnetization, adiabatic demagnetization, isothermal magnetization, and adiabatic magnetization. The values of thermodynamic efficiency depend on temperature difference between hot and cold reservoir. In mechanical view, a rotational work is determined through calculation of moment of inertia and average angular speed. The value of mechanical efficiency is calculated from ratio between rotational work and heat received by system. The study also obtains exergetic efficiency that states the performance quality of the engine. (paper)

Thermodynamic and Mechanical Analysis of a Thermomagnetic Rotary Engine

Science.gov (United States)

Fajar, D. M.; Khotimah, S. N.; Khairurrijal

2016-08-01

A heat engine in magnetic system had three thermodynamic coordinates: magnetic intensity ℋ, total magnetization ℳ, and temperature T, where the first two of them are respectively analogous to that of gaseous system: pressure P and volume V. Consequently, Carnot cycle that constitutes the principle of a heat engine in gaseous system is also valid on that in magnetic system. A thermomagnetic rotary engine is one model of it that was designed in the form of a ferromagnetic wheel that can rotates because of magnetization change at Curie temperature. The study is aimed to describe the thermodynamic and mechanical analysis of a thermomagnetic rotary engine and calculate the efficiencies. In thermodynamic view, the ideal processes are isothermal demagnetization, adiabatic demagnetization, isothermal magnetization, and adiabatic magnetization. The values of thermodynamic efficiency depend on temperature difference between hot and cold reservoir. In mechanical view, a rotational work is determined through calculation of moment of inertia and average angular speed. The value of mechanical efficiency is calculated from ratio between rotational work and heat received by system. The study also obtains exergetic efficiency that states the performance quality of the engine.

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.

The Temperature and Salinity Variabilities at Cisadane Estuary

Directory of Open Access Journals (Sweden)

Hadikusumah

2008-11-01

Full Text Available The study was conducted at Cisadane Estuary at 18 oceanographic station in Transition Monsoon Season I, East Monsoon Season, and Transition Monsoon Season II from 2003 to 2005. The area of the study was located at the longitude of 106.58° - 106.70° E and the latitude of 5.96° - 6.02°S. The measurements of temperature, salinity, tubidity and light transmision used CTD (Conductivity, Temperature and Depth Model SBE-19. The result shows that the temperature and salinity vertical profil variabilities at Cisadane Estuary underwent a change in the influence of Transition Monsoon Season I, East Monsoon Season, and Transition Monsoon Season II, for example it was obtained the leg time of the maximum salinity of Transition Monsoon Season II as the same as that of East Monsoon Season. Based on the horizontal and vertical distribution pattern analysis of the interaction between low salinity fresh water of Cisadane River and high salinity sea water of Java Sea, it was also influenced by the season variability and tide. The surface layer was much more influenced by the low salinity and the heat of sunray (seasonal variability with the weaker intensity to the lower layer. The change of the heat energy by the increase of seasonal temperature occurred in September 2003 to May 2004 ((ΔE = 600.6 ⋅ 105 Joule, July to November 2005 (ΔE = 84.9 Joule. The decrease of the heat energy occurred in June to September 2003 ((-267.6 ⋅ 105, May ke October 2004 (ΔE = 189.3 ⋅ 105 Joule and October 2004 to July 2005 (ΔE = -215.4 ⋅ 105 Joule.

Kinetic Modeling of Corn Fermentation with S. cerevisiae Using a Variable Temperature Strategy

Directory of Open Access Journals (Sweden)

Augusto C. M. Souza

2018-04-01

Full Text Available While fermentation is usually done at a fixed temperature, in this study, the effect of having a controlled variable temperature was analyzed. A nonlinear system was used to model batch ethanol fermentation, using corn as substrate and the yeast Saccharomyces cerevisiae, at five different fixed and controlled variable temperatures. The lower temperatures presented higher ethanol yields but took a longer time to reach equilibrium. Higher temperatures had higher initial growth rates, but the decay of yeast cells was faster compared to the lower temperatures. However, in a controlled variable temperature model, the temperature decreased with time with the initial value of 40 ∘ C. When analyzing a time window of 60 h, the ethanol production increased 20% compared to the batch with the highest temperature; however, the yield was still 12% lower compared to the 20 ∘ C batch. When the 24 h’ simulation was analyzed, the controlled model had a higher ethanol concentration compared to both fixed temperature batches.

Kinetic Modeling of Corn Fermentation with S. cerevisiae Using a Variable Temperature Strategy.

Science.gov (United States)

Souza, Augusto C M; Mousaviraad, Mohammad; Mapoka, Kenneth O M; Rosentrater, Kurt A

2018-04-24

While fermentation is usually done at a fixed temperature, in this study, the effect of having a controlled variable temperature was analyzed. A nonlinear system was used to model batch ethanol fermentation, using corn as substrate and the yeast Saccharomyces cerevisiae , at five different fixed and controlled variable temperatures. The lower temperatures presented higher ethanol yields but took a longer time to reach equilibrium. Higher temperatures had higher initial growth rates, but the decay of yeast cells was faster compared to the lower temperatures. However, in a controlled variable temperature model, the temperature decreased with time with the initial value of 40 ∘ C. When analyzing a time window of 60 h, the ethanol production increased 20% compared to the batch with the highest temperature; however, the yield was still 12% lower compared to the 20 ∘ C batch. When the 24 h’ simulation was analyzed, the controlled model had a higher ethanol concentration compared to both fixed temperature batches.

Statistical thermodynamics of supercapacitors and blue engines

OpenAIRE

van Roij, René

2012-01-01

We study the thermodynamics of electrode-electrolyte systems, for instance supercapacitors filled with an ionic liquid or blue-energy devices filled with river- or sea water. By a suitable mapping of thermodynamic variables, we identify a strong analogy with classical heat engines. We introduce several Legendre transformations and Maxwell relations. We argue that one should distinguish between the differential capacity at constant ion number and at constant ion chemical potential, and derive ...

Thermodynamic properties of ideal Fermi gases in a harmonic potential in an n-dimensional space under the generalized uncertainty principle

Science.gov (United States)

Li, Heling; Ren, Jinxiu; Wang, Wenwei; Yang, Bin; Shen, Hongjun

2018-02-01

Using the semi-classical (Thomas-Fermi) approximation, the thermodynamic properties of ideal Fermi gases in a harmonic potential in an n-dimensional space are studied under the generalized uncertainty principle (GUP). The mean particle number, internal energy, heat capacity and other thermodynamic variables of the Fermi system are calculated analytically. Then, analytical expressions of the mean particle number, internal energy, heat capacity, chemical potential, Fermi energy, ground state energy and amendments of the GUP are obtained at low temperatures. The influence of both the GUP and the harmonic potential on the thermodynamic properties of a copper-electron gas and other systems with higher electron densities are studied numerically at low temperatures. We find: (1) When the GUP is considered, the influence of the harmonic potential is very much larger, and the amendments produced by the GUP increase by eight to nine orders of magnitude compared to when no external potential is applied to the electron gas. (2) The larger the particle density, or the smaller the particle masses, the bigger the influence of the GUP. (3) The effect of the GUP increases with the increase in the spatial dimensions. (4) The amendments of the chemical potential, Fermi energy and ground state energy increase with an increase in temperature, while the heat capacity decreases. T F0 is the Fermi temperature of the ideal Fermi system in a harmonic potential. When the temperature is lower than a certain value (0.22 times T F0 for the copper-electron gas, and this value decreases with increasing electron density), the amendment to the internal energy is positive, however, the amendment decreases with increasing temperature. When the temperature increases to the value, the amendment is zero, and when the temperature is higher than the value, the amendment to the internal energy is negative and the absolute value of the amendment increases with increasing temperature. (5) When electron

Nuclear thermodynamics below particle threshold

International Nuclear Information System (INIS)

Schiller, A.; Agvaanluvsan, U.; Algin, E.; Bagheri, A.; Chankova, R.; Guttormsen, M.; Hjorth-Jensen, M.; Rekstad, J.; Siem, S.; Sunde, A. C.; Voinov, A.

2005-01-01

From a starting point of experimentally measured nuclear level densities, we discuss thermodynamical properties of nuclei below the particle emission threshold. Since nuclei are essentially mesoscopic systems, a straightforward generalization of macroscopic ensemble theory often yields unphysical results. A careful critique of traditional thermodynamical concepts reveals problems commonly encountered in mesoscopic systems. One of which is the fact that microcanonical and canonical ensemble theory yield different results, another concerns the introduction of temperature for small, closed systems. Finally, the concept of phase transitions is investigated for mesoscopic systems

Thermodynamic properties, hysteresis behavior and stress-strain analysis of MgH2 thin films, studied over a wide temperature range

NARCIS (Netherlands)

Pivak, Y.; Schreuders, H.; Dam, B.

2012-01-01

Using hydrogenography, we investigate the thermodynamic parameters and hysteresis behavior in Mg thin films capped by Ta/Pd, in a temperature range from 333 K to 545 K. The enthalpy and entropy of hydride decomposition, ?Hdes = ?78.3 kJ/molH2, ?Sdes = ?136.1 J/K molH2, estimated from the Van't Hoff

Spatial variability of correlated color temperature of lightning channels

Directory of Open Access Journals (Sweden)

Nobuaki Shimoji

Full Text Available In this paper, we present the spatial variability of the correlated color temperature of lightning channel shown in a digital still image. In order to analyze the correlated color temperature, we calculated chromaticity coordinates of the lightning channels in the digital still image. From results, the spatial variation of the correlated color temperature of the lightning channel was confirmed. Moreover, the results suggest that the correlated color temperature and peak current of the lightning channels are related to each other. Keywords: Lightning, Color analysis, Correlated color temperature, Chromaticity coordinate, CIE 1931 xy-chromaticity diagram

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.

Seasonal temperature variability and emergency hospital admissions for respiratory diseases: a population-based cohort study.

Science.gov (United States)

Sun, Shengzhi; Laden, Francine; Hart, Jaime E; Qiu, Hong; Wang, Yan; Wong, Chit Ming; Lee, Ruby Siu-Yin; Tian, Linwei

2018-04-05

Climate change increases global mean temperature and changes short-term (eg, diurnal) and long-term (eg, intraseasonal) temperature variability. Numerous studies have shown that mean temperature and short-term temperature variability are both associated with increased respiratory morbidity or mortality. However, data on the impact of long-term temperature variability are sparse. We aimed to assess the association of intraseasonal temperature variability with respiratory disease hospitalisations among elders. We ascertained the first occurrence of emergency hospital admissions for respiratory diseases in a prospective Chinese elderly cohort of 66 820 older people (≥65 years) with 10-13 years of follow-up. We used an ordinary kriging method based on 22 weather monitoring stations in Hong Kong to spatially interpolate daily ambient temperature for each participant's residential address. Seasonal temperature variability was defined as the SD of daily mean summer (June-August) or winter (December-February) temperatures. We applied Cox proportional hazards regression with time-varying exposure of seasonal temperature variability to respiratory admissions. During the follow-up time, we ascertained 12 689 cases of incident respiratory diseases, of which 6672 were pneumonia and 3075 were COPD. The HRs per 1°C increase in wintertime temperature variability were 1.20 (95% CI 1.08 to 1.32), 1.15 (1.01 to 1.31) and 1.41 (1.15 to 1.71) for total respiratory diseases, pneumonia and COPD, respectively. The associations were not statistically significant for summertime temperature variability. Wintertime temperature variability was associated with higher risk of incident respiratory diseases. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2018. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Complexation thermodynamics of modified cyclodextrins

DEFF Research Database (Denmark)

Schönbeck, Jens Christian Sidney; Westh, Peter; Holm, Rene

2014-01-01

Inclusion complexes between two bile salts and a range of differently methylated β-cyclodextrins were studied in an attempt to rationalize the complexation thermodynamics of modified cyclodextrins. Calorimetric titrations at a range of temperatures provided precise values of the enthalpies (ΔH......°), entropies (ΔS°), and heat capacities (ΔCp) of complexation, while molecular dynamics simulations assisted the interpretation of the obtained thermodynamic parameters. As previously observed for several types of modified cyclodextrins, the substituents at the rims of the cyclodextrin induced large changes......° and then a strong decrease when the degree of substitution exceeded some threshold. Exactly the same trend was observed for ΔCp. The dehydration of nonpolar surface, as quantified by the simulations, can to a large extent explain the variation in the thermodynamic parameters. The methyl substituents form additional...

One-parameter Darboux transformations in thermodynamics

International Nuclear Information System (INIS)

Rosu, Haret C.

2002-01-01

The quantum oscillator thermodynamic actions are the conjugate intensive parameters for the frequency in any frequency changing process. These oscillator actions fulfill simple Riccati equations. Interesting Darboux transformations of the fundamental Planck and pure vacuum actions are discussed here in some detail. It is shown that the one-parameter 'Darboux-Transformed-Thermodynamics' refers to superpositions of boson and fermion excitations of positive and negative absolute temperature, respectively. A Darboux generalization of the fluctuation-dissipation theorem is also briefly sketched

Thermodynamics of the Volatilization of Actinind metals in the High-Temperature Treatment of Radioactive Wastes

International Nuclear Information System (INIS)

Adamson, Martyn G.; Olander, Donald R.

1999-01-01

We are performing a detailed study of the volatilization behavior of U, Pu and possibly Am and Np under conditions relevant to the thermal treatment (destruction) of actinide containing organic-based mixed and radioactive wastes. The primary scientific goal of the work is to develop a basic thermochemical understanding of actinide volatilization and partitioning/speciation behavior in the thermal processes that are central to DOE/EM's mixed waste treatment program. This subject addresses at least two key technical needs/problem areas recently identified by DOE/EM's Office of Science and Technology: emission-free destruction of organic wastes, and interactions between actinides and organic residues in materials stabilization. A sound basis for designing safe and effective treatment systems, and the ability to allay public concerns about radioactive fugitive emissions, will be the principal benefits of the project. The proposed work is a combination of experimental studies and thermodynamic modeling. Vapor pressure measurements will be made to determine U, Pu and possibly Am volatile species and the extent of their volatilization when UO2/U3O8, PuO2 and AmO2 solids are heated to temperatures of 500 to1200 C under pyrolyzing (reducing) conditions or under oxidizing conditions in the presence of chlorine. Work on uranium volatilization under reducing conditions is being performed in a laboratory at UC Berkeley in a collaboration with Professor D.R. Olander. In parallel with the experimental effort, a complete thermodynamic database for expected actinide gaseous species will be developed from literature data, from the proposed measurements, and from data predictions using bond energy correlation and statistical thermodynamics estimation methods

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

Science.gov (United States)

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

1951-01-01

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

Thermodynamic geometry and phase transitions of AdS braneworld black holes

Energy Technology Data Exchange (ETDEWEB)

Chaturvedi, Pankaj, E-mail: cpankaj@iitk.ac.in; Sengupta, Gautam, E-mail: sengupta@iitk.ac.in

2017-02-10

The thermodynamics and phase transitions of charged RN–AdS and rotating Kerr–AdS black holes in a generalized Randall–Sundrum braneworld are investigated in the framework of thermodynamic geometry. A detailed analysis of the thermodynamics, stability and phase structures in the canonical and the grand canonical ensembles for these AdS braneworld black holes are described. The thermodynamic curvatures for both these AdS braneworld black holes are computed and studied as a function of the thermodynamic variables. Through this analysis we illustrate an interesting dependence of the phase structures on the braneworld parameter for these black holes.

Some consideration on the thermodynamics of the universe

International Nuclear Information System (INIS)

Hoenl, H.

1977-01-01

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

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.

The temperature dependence of the BK channel activity - kinetics, thermodynamics, and long-range correlations.

Science.gov (United States)

Wawrzkiewicz-Jałowiecka, Agata; Dworakowska, Beata; Grzywna, Zbigniew J

2017-10-01

Large-conductance, voltage dependent, Ca 2+ -activated potassium channels (BK) are transmembrane proteins that regulate many biological processes by controlling potassium flow across cell membranes. Here, we investigate to what extent temperature (in the range of 17-37°C with ΔT=5°C step) is a regulating parameter of kinetic properties of the channel gating and memory effect in the series of dwell-time series of subsequent channel's states, at membrane depolarization and hyperpolarization. The obtained results indicate that temperature affects strongly the BK channels' gating, but, counterintuitively, it exerts no effect on the long-range correlations, as measured by the Hurst coefficient. Quantitative differences between dependencies of appropriate channel's characteristics on temperature are evident for different regimes of voltage. Examining the characteristics of BK channel activity as a function of temperature allows to estimate the net activation energy (E act ) and changes of thermodynamic parameters (ΔH, ΔS, ΔG) by channel opening. Larger E act corresponds to the channel activity at membrane hyperpolarization. The analysis of entropy and enthalpy changes of closed to open channel's transition suggest the entropy-driven nature of the increase of open state probability during voltage activation and supports the hypothesis about the voltage-dependent geometry of the channel vestibule. Copyright © 2017 Elsevier B.V. All rights reserved.

The 30-60-day Intraseasonal Variability of Sea Surface Temperature in the South China Sea dur1ing May-September

Science.gov (United States)

Mao, Jiangyu; Wang, Ming

2018-05-01

This study investigates the structure and propagation of intraseasonal sea surface temperature (SST) variability in the South China Sea (SCS) on the 30-60-day timescale during boreal summer (May-September). TRMM-based SST, GODAS oceanic reanalysis and ERA-Interim atmospheric reanalysis datasets from 1998 to 2013 are used to examine quantitatively the atmospheric thermodynamic and oceanic dynamic mechanisms responsible for its formation. Power spectra show that the 30-60-day SST variability is predominant, accounting for 60% of the variance of the 10-90-day variability over most of the SCS. Composite analyses demonstrate that the 30-60-day SST variability is characterized by the alternate occurrence of basin-wide positive and negative SST anomalies in the SCS, with positive (negative) SST anomalies accompanied by anomalous northeasterlies (southwesterlies). The transition and expansion of SST anomalies are driven by the monsoonal trough-ridge seesaw pattern that migrates northward from the equator to the northern SCS. Quantitative diagnosis of the composite mixed-layer heat budgets shows that, within a strong 30-60-day cycle, the atmospheric thermal forcing is indeed a dominant factor, with the mixed-layer net heat flux (MNHF) contributing around 60% of the total SST tendency, while vertical entrainment contributes more than 30%. However, the entrainment-induced SST tendency is sometimes as large as the MNHF-induced component, implying that ocean processes are sometimes as important as surface fluxes in generating the 30-60-day SST variability in the SCS.

A statistical model for instable thermodynamical systems

International Nuclear Information System (INIS)

Sommer, Jens-Uwe

2003-01-01

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

Nonequilibrium statistical mechanics and stochastic thermodynamics of small systems

International Nuclear Information System (INIS)

Tu Zhanchun

2014-01-01

Thermodynamics is an old subject. The research objects in conventional thermodynamics are macroscopic systems with huge number of particles. In recent 30 years, thermodynamics of small systems is a frontier topic in physics. Here we introduce nonequilibrium statistical mechanics and stochastic thermodynamics of small systems. As a case study, we construct a Canot-like cycle of a stochastic heat engine with a single particle controlled by a time-dependent harmonic potential. We find that the efficiency at maximum power is 1 - √T c /T h , where Tc and Th are the temperatures of cold bath and hot bath, respectively. (author)

Thermodynamics of the hot BIon

DEFF Research Database (Denmark)

Grignani, Gianluca; Harmark, Troels; Marini, Andrea

2011-01-01

We investigate the thermodynamics of the recently obtained nite temperature BIon solution of arXiv:1012.1494, focusing on two aspects. The first concerns comparison of the free energy of the three available phases for the finite temperature brane-antibrane wormhole configuration. Based on this we...... propose a heuristic picture for the dynamics of the phases that involves a critical temperature below which a stable phase exists. This stable phase is the finite temperature analogue of the thin throat branch of the extremal brane anti-brane wormhole configuration. The second aspect that we consider...

A new general method for simultaneous fitting of temperature and concentration dependence of reaction rates yields kinetic and thermodynamic parameters for HIV reverse transcriptase specificity.

Science.gov (United States)

Li, An; Ziehr, Jessica L; Johnson, Kenneth A

2017-04-21

Recent studies have demonstrated the dominant role of induced fit in enzyme specificity of HIV reverse transcriptase and many other enzymes. However, relevant thermodynamic parameters are lacking, and equilibrium thermodynamic methods are of no avail because the key parameters can only be determined by kinetic measurement. By modifying KinTek Explorer software, we present a new general method for globally fitting data collected over a range of substrate concentrations and temperatures and apply it to HIV reverse transcriptase. Fluorescence stopped-flow methods were used to record the kinetics of enzyme conformational changes that monitor nucleotide binding and incorporation. The nucleotide concentration dependence was measured at temperatures ranging from 5 to 37 °C, and the raw data were fit globally to derive a single set of rate constants at 37 °C and a set of activation enthalpy terms to account for the kinetics at all other temperatures. This comprehensive analysis afforded thermodynamic parameters for nucleotide binding ( K d , Δ G , Δ H , and Δ S at 37 °C) and kinetic parameters for enzyme conformational changes and chemistry (rate constants and activation enthalpy). Comparisons between wild-type enzyme and a mutant resistant to nucleoside analogs used to treat HIV infections reveal that the ground state binding is weaker and the activation enthalpy for the conformational change step is significantly larger for the mutant. Further studies to explore the structural underpinnings of the observed thermodynamics and kinetics of the conformational change step may help to design better analogs to treat HIV infections and other diseases. Our new method is generally applicable to enzyme and chemical kinetics. © 2017 by The American Society for Biochemistry and Molecular Biology, Inc.

Thermodynamic analysis of PBMR plant

International Nuclear Information System (INIS)

Sen, S.; Kadiroglu, O.K.

2002-01-01

The thermodynamic analysis of a PBMR is presented for various pressures and temperatures values. The design parameters of the components of the power plant are calculated and an optimum cycle for the maximum thermal efficiency is sought for. (author)

Chiral thermodynamics of nuclear matter

International Nuclear Information System (INIS)

Fiorilla, Salvatore

2012-01-01

The equation of state of nuclear matter is calculated at finite temperature in the framework of in-medium chiral perturbation theory up to three-loop order. The dependence of its thermodynamic properties on the isospin-asymmetry is investigated. The chiral quark condensate is evaluated for symmetric nuclear matter. Its behaviour as a function of density and temperature sets important nuclear physics constraints for the QCD phase diagram.

Chiral thermodynamics of nuclear matter

Energy Technology Data Exchange (ETDEWEB)

Fiorilla, Salvatore

2012-10-23

The equation of state of nuclear matter is calculated at finite temperature in the framework of in-medium chiral perturbation theory up to three-loop order. The dependence of its thermodynamic properties on the isospin-asymmetry is investigated. The chiral quark condensate is evaluated for symmetric nuclear matter. Its behaviour as a function of density and temperature sets important nuclear physics constraints for the QCD phase diagram.

Accurate thermodynamic relations of the melting temperature of nanocrystals with different shapes and pure theoretical calculation

Energy Technology Data Exchange (ETDEWEB)

Zhu, Jinhua; Fu, Qingshan; Xue, Yongqiang, E-mail: xyqlw@126.com; Cui, Zixiang

2017-05-01

Based on the surface pre-melting model, accurate thermodynamic relations of the melting temperature of nanocrystals with different shapes (tetrahedron, cube, octahedron, dodecahedron, icosahedron, nanowire) were derived. The theoretically calculated melting temperatures are in relative good agreements with experimental, molecular dynamic simulation and other theoretical results for nanometer Au, Ag, Al, In and Pb. It is found that the particle size and shape have notable effects on the melting temperature of nanocrystals, and the smaller the particle size, the greater the effect of shape. Furthermore, at the same equivalent radius, the more the shape deviates from sphere, the lower the melting temperature is. The value of melting temperature depression of cylindrical nanowire is just half of that of spherical nanoparticle with an identical radius. The theoretical relations enable one to quantitatively describe the influence regularities of size and shape on the melting temperature and to provide an effective way to predict and interpret the melting temperature of nanocrystals with different sizes and shapes. - Highlights: • Accurate relations of T{sub m} of nanocrystals with various shapes are derived. • Calculated T{sub m} agree with literature results for nano Au, Ag, Al, In and Pb. • ΔT{sub m} (nanowire) = 0.5ΔT{sub m} (spherical nanocrystal). • The relations apply to predict and interpret the melting behaviors of nanocrystals.

Thermodynamics of sublimation and solvation for bicyclo-derivatives of 1,3-thiazine

International Nuclear Information System (INIS)

Ol’khovich, Marina V.; Blokhina, Svetlana V.; Sharapova, Angelica V.; Perlovich, German L.; Proshin, Alexey N.

2013-01-01

Highlights: • Temperature dependencies of saturated vapor pressure of new bicyclo-derivatives were obtained. • Thermodynamic functions of sublimation and solvation were calculated. • The correlations between thermodynamic functions and molecular descriptors are discussed. - Abstract: Temperature dependencies of saturated vapor pressure of novel bicyclo-derivatives of 1,3-thiazine with methoxy- and carbonyl-substituents have been obtained by method of transference by means of an inert gas carrier. Thermodynamic functions of sublimation have been calculated. Correlations between thermodynamic functions of sublimation and thermophysical properties of the substances and molecular descriptors have been established. The enthalpies of solvation of compounds were calculated using the measured values of enthalpies of sublimation and of standard enthalpies of solution in hexane and buffer

Soil Temperature Variability in Complex Terrain measured using Distributed a Fiber-Optic Distributed Temperature Sensing

Science.gov (United States)

Seyfried, M. S.; Link, T. E.

2013-12-01

Soil temperature (Ts) exerts critical environmental controls on hydrologic and biogeochemical processes. Rates of carbon cycling, mineral weathering, infiltration and snow melt are all influenced by Ts. Although broadly reflective of the climate, Ts is sensitive to local variations in cover (vegetative, litter, snow), topography (slope, aspect, position), and soil properties (texture, water content), resulting in a spatially and temporally complex distribution of Ts across the landscape. Understanding and quantifying the processes controlled by Ts requires an understanding of that distribution. Relatively few spatially distributed field Ts data exist, partly because traditional Ts data are point measurements. A relatively new technology, fiber optic distributed temperature system (FO-DTS), has the potential to provide such data but has not been rigorously evaluated in the context of remote, long term field research. We installed FO-DTS in a small experimental watershed in the Reynolds Creek Experimental Watershed (RCEW) in the Owyhee Mountains of SW Idaho. The watershed is characterized by complex terrain and a seasonal snow cover. Our objectives are to: (i) evaluate the applicability of fiber optic DTS to remote field environments and (ii) to describe the spatial and temporal variability of soil temperature in complex terrain influenced by a variable snow cover. We installed fiber optic cable at a depth of 10 cm in contrasting snow accumulation and topographic environments and monitored temperature along 750 m with DTS. We found that the DTS can provide accurate Ts data (+/- .4°C) that resolves Ts changes of about 0.03°C at a spatial scale of 1 m with occasional calibration under conditions with an ambient temperature range of 50°C. We note that there are site-specific limitations related cable installation and destruction by local fauna. The FO-DTS provide unique insight into the spatial and temporal variability of Ts in a landscape. We found strong seasonal

Hybrid ANN–PLS approach to scroll compressor thermodynamic performance prediction

International Nuclear Information System (INIS)

Tian, Z.; Gu, B.; Yang, L.; Lu, Y.

2015-01-01

In this paper, a scroll compressor thermodynamic performance prediction was carried out by applying a hybrid ANN–PLS model. Firstly, an experimental platform with second-refrigeration calorimeter was set up and steady-state scroll compressor data sets were collected from experiments. Then totally 148 data sets were introduced to train and verify the validity of the ANN–PLS model for predicting the scroll compressor parameters such as volumetric efficiency, refrigerant mass flow rate, discharge temperature and power consumption. The ANN–PLS model was determined with 5 hidden neurons and 7 latent variables through the training process. Ultimately, the ANN–PLS model showed better performance than the ANN model and the PLS model working separately. ANN–PLS predictions agree well with the experimental values with mean relative errors (MREs) in the range of 0.34–1.96%, correlation coefficients (R 2 ) in the range of 0.9703–0.9999 and very low root mean square errors (RMSEs). - Highlights: • Hybrid ANN–PLS is utilized to predict the thermodynamic performance of scroll compressor. • ANN–PLS model is determined with 5 hidden neurons and 7 latent variables. • ANN–PLS model demonstrates better performance than ANN and PLS working separately. • The values of MRE and RMSE are in the range of 0.34–1.96% and 0.9703–0.9999, respectively

Thermodynamic Product Relations for Generalized Regular Black Hole

International Nuclear Information System (INIS)

Pradhan, Parthapratim

2016-01-01

We derive thermodynamic product relations for four-parametric regular black hole (BH) solutions of the Einstein equations coupled with a nonlinear electrodynamics source. The four parameters can be described by the mass (m), charge (q), dipole moment (α), and quadrupole moment (β), respectively. We study its complete thermodynamics. We compute different thermodynamic products, that is, area product, BH temperature product, specific heat product, and Komar energy product, respectively. Furthermore, we show some complicated function of horizon areas that is indeed mass-independent and could turn out to be universal.

Sea Surface Temperature and Ocean Color Variability in the South China Sea

Science.gov (United States)

Conaty, A. P.

2001-12-01

The South China Sea is a marginal sea in the Southeast Asian region whose surface circulation is driven by monsoons and whose surface currents have complex seasonal patterns. Its rich natural resources and strategic location have made its small islands areas of political dispute among the neighboring nations. This study aims to show the seasonal and interannual variability of sea surface temperature and ocean color in South China Sea. It makes use of NOAA's Advanced Very High Resolution Radiometer (AVHRR) satellite data sets on sea surface temperature for the period 1981-2000 and NASA's Nimbus-7 Coastal Zone Color Scanner (CZCS) and Sea-viewing Wide Field-of-view Sensor (SeaWiFS) satellite data sets on pigment concentration (ocean color) for the period 1981-1996 and 1997-2000, respectively. Transect lines were drawn along several potential hotspot areas to show the variability in sea surface temperature and pigment concentration through time. In-situ data on sea surface temperature along South China Sea were likewise plotted to see the variability with time. Higher seasonal variability in sea surface temperature was seen at higher latitudes. Interannual variability was within 1-3 Kelvin. In most areas, pigment concentration was higher during northern hemisphere winter and autumn, after the monsoon rains, with a maximum of 30 milligrams per cubic meter.

Relationship between thermodynamic parameter and thermodynamic scaling parameter for orientational relaxation time for flip-flop motion of nematic liquid crystals.

Science.gov (United States)

Satoh, Katsuhiko

2013-03-07

Thermodynamic parameter Γ and thermodynamic scaling parameter γ for low-frequency relaxation time, which characterize flip-flop motion in a nematic phase, were verified by molecular dynamics simulation with a simple potential based on the Maier-Saupe theory. The parameter Γ, which is the slope of the logarithm for temperature and volume, was evaluated under various conditions at a wide range of temperatures, pressures, and volumes. To simulate thermodynamic scaling so that experimental data at isobaric, isothermal, and isochoric conditions can be rescaled onto a master curve with the parameters for some liquid crystal (LC) compounds, the relaxation time was evaluated from the first-rank orientational correlation function in the simulations, and thermodynamic scaling was verified with the simple potential representing small clusters. A possibility of an equivalence relationship between Γ and γ determined from the relaxation time in the simulation was assessed with available data from the experiments and simulations. In addition, an argument was proposed for the discrepancy between Γ and γ for some LCs in experiments: the discrepancy arises from disagreement of the value of the order parameter P2 rather than the constancy of relaxation time τ1(*) on pressure.

Thermodynamic properties of water in confined environments: a Monte Carlo study

Science.gov (United States)

Gladovic, Martin; Bren, Urban; Urbic, Tomaž

2018-05-01

Monte Carlo simulations of Mercedes-Benz water in a crowded environment were performed. The simulated systems are representative of both composite, porous or sintered materials and living cells with typical matrix packings. We studied the influence of overall temperature as well as the density and size of matrix particles on water density, particle distributions, hydrogen bond formation and thermodynamic quantities. Interestingly, temperature and space occupancy of matrix exhibit a similar effect on water properties following the competition between the kinetic and the potential energy of the system, whereby temperature increases the kinetic and matrix packing decreases the potential contribution. A novel thermodynamic decomposition approach was applied to gain insight into individual contributions of different types of inter-particle interactions. This decomposition proved to be useful and in good agreement with the total thermodynamic quantities especially at higher temperatures and matrix packings, where higher-order potential-energy mixing terms lose their importance.

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 of Micro- and Nano-Systems Driven by Periodic Temperature Variations

Directory of Open Access Journals (Sweden)

Kay Brandner

2015-08-01

Full Text Available We introduce a general framework for analyzing the thermodynamics of small systems that are driven by both a periodic temperature variation and some external parameter modulating their energy. This setup covers, in particular, periodic micro- and nano-heat engines. In a first step, we show how to express total entropy production by properly identified time-independent affinities and currents without making a linear response assumption. In linear response, kinetic coefficients akin to Onsager coefficients can be identified. Specializing to a Fokker-Planck-type dynamics, we show that these coefficients can be expressed as a sum of an adiabatic contribution and one reminiscent of a Green-Kubo expression that contains deviations from adiabaticity. Furthermore, we show that the generalized kinetic coefficients fulfill an Onsager-Casimir-type symmetry tracing back to microscopic reversibility. This symmetry allows for nonidentical off-diagonal coefficients if the driving protocols are not symmetric under time reversal. We then derive a novel constraint on the kinetic coefficients that is sharper than the second law and provides an efficiency-dependent bound on power. As one consequence, we can prove that the power vanishes at least linearly when approaching Carnot efficiency. We illustrate our general framework by explicitly working out the paradigmatic case of a Brownian heat engine realized by a colloidal particle in a time-dependent harmonic trap subject to a periodic temperature profile. This case study reveals inter alia that our new general bound on power is asymptotically tight.

Yang—Yang thermodynamics of one-dimensional Bose gases with anisotropic transversal confinement

International Nuclear Information System (INIS)

Hao Ya-Jiang; Yin Xiang-Guo

2011-01-01

By combining the thermodynamic Bethe ansatz and local density approximation, we investigate the Yang—Yang thermodynamics of interacting one-dimensional Bose gases with anisotropic transversal confinement. It is shown that with the increase of anisotropic parameter at low temperature, the Bose atoms are distributed over a wider region, while at high temperature the density distribution is not affected obviously. Both the temperature and transversal confinement can strengthen the local pressure of the Bose gases. (general)

Thermodynamic properties of sea air

Directory of Open Access Journals (Sweden)

R. Feistel

2010-02-01

Full Text Available Very accurate thermodynamic potential functions are available for fluid water, ice, seawater and humid air covering wide ranges of temperature and pressure conditions. They permit the consistent computation of all equilibrium properties as, for example, required for coupled atmosphere-ocean models or the analysis of observational or experimental data. With the exception of humid air, these potential functions are already formulated as international standards released by the International Association for the Properties of Water and Steam (IAPWS, and have been adopted in 2009 for oceanography by IOC/UNESCO.

In this paper, we derive a collection of formulas for important quantities expressed in terms of the thermodynamic potentials, valid for typical phase transitions and composite systems of humid air and water/ice/seawater. Particular attention is given to equilibria between seawater and humid air, referred to as "sea air" here. In a related initiative, these formulas will soon be implemented in a source-code library for easy practical use. The library is primarily aimed at oceanographic applications but will be relevant to air-sea interaction and meteorology as well.

The formulas provided are valid for any consistent set of suitable thermodynamic potential functions. Here we adopt potential functions from previous publications in which they are constructed from theoretical laws and empirical data; they are briefly summarized in the appendix. The formulas make use of the full accuracy of these thermodynamic potentials, without additional approximations or empirical coefficients. They are expressed in the temperature scale ITS-90 and the 2008 Reference-Composition Salinity Scale.

THERMODYNAMIC PARAMETERS OF LEAD SULFIDE CRYSTALS IN THE CUBIC PHASE

Directory of Open Access Journals (Sweden)

T. O. Parashchuk

2016-07-01

Full Text Available Geometric and thermodynamic parameters of cubic PbS crystals were obtained using the computer calculations of the thermodynamic parameters within density functional theory method DFT. Cluster models for the calculation based on the analysis of the crystal and electronic structure. Temperature dependence of energy ΔE and enthalpy ΔH, Gibbs free energy ΔG, heat capacity at constant pressure CP and constant volume CV, entropy ΔS were determined on the basis of ab initio calculations of the crystal structure of molecular clusters. Analytical expressions of temperature dependences of thermodynamic parameters which were approximated with quantum-chemical calculation points have been presented. Experimental results compared with theoretically calculated data.

Families of optimal thermodynamic solutions for combined cycle gas turbine (CCGT) power plants

International Nuclear Information System (INIS)

Godoy, E.; Scenna, N.J.; Benz, S.J.

2010-01-01

Optimal designs of a CCGT power plant characterized by maximum second law efficiency values are determined for a wide range of power demands and different values of the available heat transfer area. These thermodynamic optimal solutions are found within a feasible operation region by means of a non-linear mathematical programming (NLP) model, where decision variables (i.e. transfer areas, power production, mass flow rates, temperatures and pressures) can vary freely. Technical relationships among them are used to systematize optimal values of design and operative variables of a CCGT power plant into optimal solution sets, named here as optimal solution families. From an operative and design point of view, the families of optimal solutions let knowing in advance optimal values of the CCGT variables when facing changes of power demand or adjusting the design to an available heat transfer area.

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

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.)

Creep rupture of structures subjected to variable loading and temperature

International Nuclear Information System (INIS)

Wojewodzki, W.

1975-01-01

The aim of the present paper is to show on the basis of equations and the analysis of creep mechanisms the possibilities of a description of the creep behavior of material under variable temperature and loading conditions. Also the influence of cyclic proportional loading and temperature gradient upon the rupture life and strains of a thick cylinder is investigated in detail. The obtained theoretical creep curves coincide with the experimental results for investigated steel in the temperature range from 500 0 C to 575 0 C. The constitutive equations together with the functions determined previously are applied to solve the problem of thick cylinder subjected to cyclic proportional pressure and temperature gradient. Numerical results for the thick steel cylinder are presented both in diagrammatical and tabular form. The obtained new results clearly show the significant influence of temperature gradient, cyclic temperature gradient, and cyclic pressure upon the stress redistribution, the magnitude of deformation, the propagation of the front damage and the rupture life. It was found that small temperature fluctuations at elevated temperature can shorten the rupture life very considerably. The introduced description of the creep rupture behavior of material under variable temperature and loading conditions together with the results for the thick cylinder indicate the possibilities of solutions of practical problems encountered in structural mechanics of reactor technology

Thermodynamic framework for compact q-Gaussian distributions

Science.gov (United States)

Souza, Andre M. C.; Andrade, Roberto F. S.; Nobre, Fernando D.; Curado, Evaldo M. F.

2018-02-01

Recent works have associated systems of particles, characterized by short-range repulsive interactions and evolving under overdamped motion, to a nonlinear Fokker-Planck equation within the class of nonextensive statistical mechanics, with a nonlinear diffusion contribution whose exponent is given by ν = 2 - q. The particular case ν = 2 applies to interacting vortices in type-II superconductors, whereas ν > 2 covers systems of particles characterized by short-range power-law interactions, where correlations among particles are taken into account. In the former case, several studies presented a consistent thermodynamic framework based on the definition of an effective temperature θ (presenting experimental values much higher than typical room temperatures T, so that thermal noise could be neglected), conjugated to a generalized entropy sν (with ν = 2). Herein, the whole thermodynamic scheme is revisited and extended to systems of particles interacting repulsively, through short-ranged potentials, described by an entropy sν, with ν > 1, covering the ν = 2 (vortices in type-II superconductors) and ν > 2 (short-range power-law interactions) physical examples. One basic requirement concerns a cutoff in the equilibrium distribution Peq(x) , approached due to a confining external harmonic potential, ϕ(x) = αx2 / 2 (α > 0). The main results achieved are: (a) The definition of an effective temperature θ conjugated to the entropy sν; (b) The construction of a Carnot cycle, whose efficiency is shown to be η = 1 -(θ2 /θ1) , where θ1 and θ2 are the effective temperatures associated with two isothermal transformations, with θ1 >θ2; (c) Thermodynamic potentials, Maxwell relations, and response functions. The present thermodynamic framework, for a system of interacting particles under the above-mentioned conditions, and associated to an entropy sν, with ν > 1, certainly enlarges the possibility of experimental verifications.

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.

Thermodynamics of aqueous electrolytes at various temperatures, pressures, and compositions. [Virial coefficients

Energy Technology Data Exchange (ETDEWEB)

Pitzer, K.S.

1979-09-01

It is shown that the properties of fully ionized aqueous electrolyte systems can be represented by relatively simple equations over wide ranges of composition. There are only a few systems for which data are available over the full range to fused salt. A simple equation commonly used for nonelectrolytes fits the measured vapor pressure of water reasonably well and further refinements are clearly possible. Over the somewhat more limited composition range up to saturation of typical salts such as NaCl, the equations representing thermodynamic properties with a Debye-Hueckel term plus second and third virial coefficients are very successful and these coefficients are known for nearly 300 electrolytes at room temperature. These same equations effectively predict the properties of mixed electrolytes. A stringent test is offered by the calculation of all of the solubility relationships of the system Na-K-Mg-Ca-Cl-So{sub 4}-H{sub 2}0 and the calculated results of Harvie and Weare show excellent agreement with

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.

A study on different thermodynamic cycle schemes coupled with a high temperature gas-cooled reactor

International Nuclear Information System (INIS)

Qu, Xinhe; Yang, Xiaoyong; Wang, Jie

2017-01-01

Highlights: • The features of three different power generation schemes, including closed Brayton cycle, non-reheating combined cycle and reheating combined cycle, coupled with high temperature gas-cooled reactor (HTGR) were investigated and compared. • The effects and mechanism of reactor core outlet temperature, compression ratio and other key parameters over cycle characteristics were analyzed by the thermodynamic models.. • It is found that reheated combined cycle has the highest efficiency. Reactor outlet temperature and main steam parameters are key factors to improve the cycle’s performance. - Abstract: With gradual increase in reactor outlet temperature, the efficient power conversion technology has become one of developing trends of (very) high temperature gas-cooled reactors (HTGRs). In this paper, different cycle power generation schemes for HTGRs were systematically studied. Physical and mathematical models were established for these three cycle schemes: closed Brayton cycle, simple combined cycle, and reheated combined cycle. The effects and mechanism of key parameters such as reactor core outlet temperature, reactor core inlet temperature and compression ratio on the features of these cycles were analyzed. Then, optimization results were given with engineering restrictive conditions, including pinch point temperature differences. Results revealed that within the temperature range of HTGRs (700–900 °C), the reheated combined cycle had the highest efficiency, while the simple combined cycle had the lowest efficiency (900 °C). The efficiencies of the closed Brayton cycle, simple combined cycle and reheated combined cycle are 49.5%, 46.6% and 50.1%, respectively. These results provide insights on the different schemes of these cycles, and reveal the effects of key parameters on performance of these cycles. It could be helpful to understand and develop a combined cycle coupled with a high temperature reactor in the future.

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

Energy Technology Data Exchange (ETDEWEB)

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

1995-04-01

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

Thermodynamic measurement and analysis of dual-temperature thermoacoustic oscillations for energy harvesting application

International Nuclear Information System (INIS)

Zhao, Dan; Ji, Chenzhen; Li, Shihuai; Li, Junwei

2014-01-01

The present work considers energy harvesting by implementing both thermo- and piezo-electric power generation modules on a bifurcating tube, which produces dual-temperature thermoacoustic oscillations. The present system distinguished from the conventional standing-wave one does not involve heat exchangers and uses two different energy conversion processes to produce electricity. To measure and analyze the sound waves generated, an infrared thermal imaging camera, hot wire anemometry, and two arrays of K-type thermocouples and microphones are employed. It is found that the total electric power is approximately 5.71 mW, of which the piezo module produces about 0.21 mW. It is about 61% more than that generated by a similar conduction-driven thermo-acoustic-piezo harvester. In order to gain insight on the heat-driven acoustic oscillations and to simulate the experiment, thermodynamic laws are used to develop a nonlinear thermoacoustic model. Comparison is then made between the numerical and experimental results. Good agreement is obtained in terms of frequency and sound pressure level. Finally, Rayleigh index is examined to characterize the conversion between thermal and sound energy. In addition, energy redistribution between different thermoacoustic modes is estimated. It is found that lower frequency thermoacoustic oscillations are easier to trigger. - Highlights: • Energy harvesting from thermo- and piezo-electric diaphragms is obtained. • Total electrical power is approximately 5.71 mW. • Thermodynamic analysis of heat-driven oscillations is performed. • Rayleigh index characterizing heat-to-sound conversion is estimated. • Energy redistribution between various eigenmodes is calculated

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.

Thermodynamic Critical Field and Superconducting Fluctuation of Vortices for High Temperature Cuprate Superconductor: La-214

International Nuclear Information System (INIS)

Yung Moo Huh

2001-01-01

Thermodynamics has been studied systematically for the high temperature cuprate superconductor La 2-x Sr x CuO 4-δ , La-214, in the entire superconductive region from strongly underdoped to strongly overdoped regimes. Magnetization studies with H(parallel)c have been made in order to investigate the changes in free energy of the system as the number of carriers is reduced. Above the superconducting transition temperature, the normal-state magnetization exhibits a two-dimensional Heisenberg antiferromagnetic behavior. Below T c , magnetization data are thermodynamically reversible over large portions of the H-T plane, so the free energy is well defined in these regions. As the Sr concentration is varied over the wide range from 0.060 (strongly underdoped) to 0.234 (strongly overdoped), the free energy change goes through a maximum at the optimum doped in a manner similar to the T c0 vs. x curve. The density of states, N(0), remains nearly constant in the overdoped and optimum doped regimes, taking a broad maximum around x = 0.188, and then drops abruptly towards zero in the underdoped regime. The La 2-x Sr x CuO 4 (La-214) system displays the fluctuating vortex behavior with the characteristic of either 2D or 3D fluctuations as indicated by clearly identifiable crossing points T* close to T c . The dimensional character of the fluctuations depends on both applied magnetic fields and the density of charge carriers. The dimensional crossover from 2D to 3D occurs in the strongly underdoped regime when the c-axis coherence distance ζ c becomes comparable to the spacing between adjacent CuO 2 layers s at sufficiently high magnetic fields near H c2

Thermodynamic Critical Field and Superconducting Fluctuation of Vortices for High Temperature Cuprate Superconductor: La-214

International Nuclear Information System (INIS)

Finnemore, Douglas K.

2001-01-01

Thermodynamics has been studied systematically for the high temperature cuprate superconductor La 2-x Sr x CuO 4-δ , La-214, in the entire superconductive region from strongly underdoped to strongly overdoped regimes. Magnetization studies with H (parallel) c have been made in order to investigate the changes in free energy of the system as the number of carriers is reduced. Above the superconducting transition temperature, the normal-state magnetization exhibits a two-dimensional Heisenberg antiferromagnetic behavior. Below T c , magnetization data are thermodynamically reversible over large portions of the H-T plane, so the free energy is well defined in these regions. As the Sr concentration is varied over the wide range from 0.060 (strongly underdoped) to 0.234 (strongly overdoped), the free energy change goes through a maximum at the optimum doped in a manner similar to the T c0 vs. x curve. The density of states, N(0), remains nearly constant in the overdoped and optimum doped regimes, taking a broad maximum around x = 0.188, and then drops abruptly towards zero in the underdoped regime. The La 2-x Sr x CuO 4 (La-214) system displays the fluctuating vortex behavior with the characteristic of either 2D or 3D fluctuations as indicated by clearly identifiable crossing points T* close to T c . The dimensional character of the fluctuations depends on both applied magnetic fields and the density of charge carriers. The dimensional crossover from 2D to 3D occurs in the strongly underdoped regime when the c-axis coherence distance ξ c becomes comparable to the spacing between adjacent CuO 2 layers s at sufficiently high magnetic field near H c2

Thermodynamic properties of helium in the range from 20 to 15000C and 1 to 100 bar. Reactor core design of high-temperature gas-cooled reactors. Pt. 1

International Nuclear Information System (INIS)

Kipke, H.E.; Stoehr, A.; Banerjea, A.; Hammeke, K.; Huepping, N.

1978-12-01

The following report presents in tabular form the safety standard of the nuclear safety standard commission (KTA) on reactor core design of high-temperature gas-cooled reactors. Part 1: Calculation of thermodynamic properties of helium The basis of the present work is the data and formulae given by H. Petersen for the calculation of density, specific heat, thermal conductivity and dynamic viscosity of helium together with the formula for their standard deviations in the range of temperature and pressure stated above. The relations for specific enthalpy and specific entropy have been derived from density and specific heat, whereby specific heat is assumed constant over the given range of temperature and pressure. The latter section of this report contains tables of thermodynamic properties of helium calculated from the equations stated earlier in this paper. (orig.) [de

Thermodynamic Properties of a First-Generation Carbosilane Dendrimer with Terminal Phenylethyl Groups

Science.gov (United States)

Sologubov, S. S.; Markin, A. V.; Smirnova, N. N.; Novozhilova, N. A.; Tatarinova, E. A.; Muzafarov, A. M.

2018-02-01

The heat capacity of a first-generation carbosilane dendrimer with terminal phenylethyl groups as a function of temperature in the range from 6 to 520 K is studied for the first time via precision adiabatic vacuum calorimetry and differential scanning calorimetry. Physical transformations, such as low-temperature structural anomaly and glass transition are detected in the above-mentioned range of temperatures, and their standard thermodynamic characteristics are determined and analyzed. The standard thermodynamic functions of the studied dendrimer in the range of T → 0 to 520 K are calculated from the experimental data, as is the standard entropy in the devitrified state at T = 298.15 K. The standard thermodynamic characteristics of the carbosilane dendrimers studied in this work and earlier are compared.

Thermodynamic analysis of an HCCI engine based system running on natural gas

International Nuclear Information System (INIS)

Djermouni, Mohamed; Ouadha, Ahmed

2014-01-01

Highlights: • A thermodynamic analysis of an HCCI based system has been carried out. • A thermodynamic model has been developed taking into account the gas composition resulting from the combustion process. • The specific heat of the working fluid is temperature dependent. - Abstract: This paper attempts to carry out a thermodynamic analysis of a system composed of a turbocharged HCCI engine, a mixer, a regenerator and a catalytic converter within the meaning of the first and the second law of thermodynamics. For this purpose, a thermodynamic model has been developed taking into account the gas composition resulting from the combustion process and the specific heat temperature dependency of the working fluid. The analysis aims in particular to examine the influence of the compressor pressure ratio, ambient temperature, equivalence ratio, engine speed and the compressor isentropic efficiency on the performance of the HCCI engine. Results show that thermal and exergetic efficiencies increase with increasing the compressor pressure ratio. However, the increase of the ambient temperature involves a decrease of the engine efficiencies. Furthermore, the variation of the equivalence ratio improves considerably both thermal and exergetic efficiencies. As expected, the increase of the engine speed enhances the engine performances. Finally, an exergy losses mapping of the system show that the maximum exergy losses occurs in the HCCI engine

Reactor physics and thermodynamics of a gaseous core fission reactor

International Nuclear Information System (INIS)

Kuijper, J.C.; Van Dam, H.; Stekelenburg, A.J.C.; Hoogenboom, J.E.; Boersma-Klein, W.; Kistemaker, J.

1990-01-01

Neutron kinetics and thermodynamics of a Gaseous Core Fission Reactor with magnetical pumping are shown to have many unconventional aspects. Attention is focussed on the properties of the fuel gas, the stationary temperature distribution, the non-linear neutron kinetics and the energy balance in thermodynamical cycles

Bulk-boundary thermodynamic equivalence, and the Bekenstein and cosmic-censorship bounds for rotating charged AdS black holes

International Nuclear Information System (INIS)

Gibbons, G.W.; Perry, M.J.; Pope, C.N.

2005-01-01

We show that one may pass from bulk to boundary thermodynamic quantities for rotating anti-de Sitter (AdS) black holes in arbitrary dimensions so that if the bulk quantities satisfy the first law of thermodynamics then so do the boundary conformal field theory (CFT) quantities. This corrects recent claims that boundary CFT quantities satisfying the first law may only be obtained using bulk quantities measured with respect to a certain frame rotating at infinity, and which therefore do not satisfy the first law. We show that the bulk black-hole thermodynamic variables, or equivalently therefore the boundary CFT variables, do not always satisfy a Cardy-Verlinde type formula, but they do always satisfy an AdS-Bekenstein bound. The universal validity of the Bekenstein bound is a consequence of the more fundamental cosmic-censorship bound, which we find to hold in all cases examined. We also find that at fixed entropy, the temperature of a rotating black hole is bounded above by that of a nonrotating black hole, in four and five dimensions, but not in six or more dimensions. We find evidence for universal upper bounds for the area of cosmological event horizons and black-hole horizons in rotating black-hole spacetimes with a positive cosmological constant

A variable-temperature nanostencil compatible with a low-temperature scanning tunneling microscope/atomic force microscope

International Nuclear Information System (INIS)

Steurer, Wolfram; Gross, Leo; Schlittler, Reto R.; Meyer, Gerhard

2014-01-01

We describe a nanostencil lithography tool capable of operating at variable temperatures down to 30 K. The setup is compatible with a combined low-temperature scanning tunneling microscope/atomic force microscope located within the same ultra-high-vacuum apparatus. The lateral movement capability of the mask allows the patterning of complex structures. To demonstrate operational functionality of the tool and estimate temperature drift and blurring, we fabricated LiF and NaCl nanostructures on Cu(111) at 77 K

A variable-temperature nanostencil compatible with a low-temperature scanning tunneling microscope/atomic force microscope

Energy Technology Data Exchange (ETDEWEB)

Steurer, Wolfram, E-mail: wst@zurich.ibm.com; Gross, Leo; Schlittler, Reto R.; Meyer, Gerhard [IBM Research-Zurich, 8803 Rüschlikon (Switzerland)

2014-02-15

We describe a nanostencil lithography tool capable of operating at variable temperatures down to 30 K. The setup is compatible with a combined low-temperature scanning tunneling microscope/atomic force microscope located within the same ultra-high-vacuum apparatus. The lateral movement capability of the mask allows the patterning of complex structures. To demonstrate operational functionality of the tool and estimate temperature drift and blurring, we fabricated LiF and NaCl nanostructures on Cu(111) at 77 K.

A variable-temperature nanostencil compatible with a low-temperature scanning tunneling microscope/atomic force microscope.

Science.gov (United States)

Steurer, Wolfram; Gross, Leo; Schlittler, Reto R; Meyer, Gerhard

2014-02-01

We describe a nanostencil lithography tool capable of operating at variable temperatures down to 30 K. The setup is compatible with a combined low-temperature scanning tunneling microscope/atomic force microscope located within the same ultra-high-vacuum apparatus. The lateral movement capability of the mask allows the patterning of complex structures. To demonstrate operational functionality of the tool and estimate temperature drift and blurring, we fabricated LiF and NaCl nanostructures on Cu(111) at 77 K.

Thermodynamics of Horndeski black holes with non-minimal derivative coupling

Energy Technology Data Exchange (ETDEWEB)

Miao, Yan-Gang [Nankai University, School of Physics, Tianjin (China); Max-Planck-Institut fuer Gravitationsphysik (Albert-Einstein-Institut), Potsdam (Germany); Xu, Zhen-Ming [Nankai University, School of Physics, Tianjin (China)

2016-11-15

We explore thermodynamic properties of a new class of Horndeski black holes whose action contains a non-minimal kinetic coupling of a massless real scalar and the Einstein tensor. Our treatment is based on the well-accepted consideration, where the cosmological constant is dealt with as thermodynamic pressure and the mass of black holes as thermodynamic enthalpy. We resort to a newly introduced intensive thermodynamic variable, i.e., the coupling strength of the scalar and tensor whose dimension is length square, and thus yield both the generalized first law of thermodynamics and the generalized Smarr relation. Our result indicates that this class of Horndeski black holes presents rich thermodynamic behaviors and critical phenomena. Especially in the case of the presence of an electric field, these black holes undergo two phase transitions. Once the charge parameter exceeds its critical value, or the cosmological parameter does not exceed its critical value, no phase transitions happen and the black holes are stable. As a by-product, we point out, the coupling strength acts as the thermodynamic pressure in thermodynamics. (orig.)

Thermodynamics of Horndeski black holes with non-minimal derivative coupling

International Nuclear Information System (INIS)

Miao, Yan-Gang; Xu, Zhen-Ming

2016-01-01

We explore thermodynamic properties of a new class of Horndeski black holes whose action contains a non-minimal kinetic coupling of a massless real scalar and the Einstein tensor. Our treatment is based on the well-accepted consideration, where the cosmological constant is dealt with as thermodynamic pressure and the mass of black holes as thermodynamic enthalpy. We resort to a newly introduced intensive thermodynamic variable, i.e., the coupling strength of the scalar and tensor whose dimension is length square, and thus yield both the generalized first law of thermodynamics and the generalized Smarr relation. Our result indicates that this class of Horndeski black holes presents rich thermodynamic behaviors and critical phenomena. Especially in the case of the presence of an electric field, these black holes undergo two phase transitions. Once the charge parameter exceeds its critical value, or the cosmological parameter does not exceed its critical value, no phase transitions happen and the black holes are stable. As a by-product, we point out, the coupling strength acts as the thermodynamic pressure in thermodynamics. (orig.)

A Study of Universal Thermodynamics in Brane World Scenario

International Nuclear Information System (INIS)

Mitra, Saugata; Saha, Subhajit; Chakraborty, Subenoy

2015-01-01

A study of Universal thermodynamics is done in the framework of RSII brane model and DGP brane scenario. The Universe is chosen as FRW model bounded by apparent or event horizon. Assuming extended Hawking temperature on the horizon, the unified first law is examined for perfect fluid (with constant equation of state) and Modified Chaplygin Gas model. As a result there is a modification of Bekenstein entropy on the horizons. Further the validity of the generalized second law of thermodynamics and thermodynamical equilibrium are also investigated

On the thermodynamics of one-fluid Szekeres'like cosmologies

International Nuclear Information System (INIS)

Lima, J.A.S.; Tiomno, J.

1989-01-01

The thermodynamic behavior of the inhomogeneous Szekeres type cosmologies with a perfect fluids as source of gravitation is examined. Since the matter motion is geodetic, the absence of heat flow implies that the temperature is a function of time alone. For a subclass approaching homogeneity and isotropy at large cosmological times an expression for the temperature is derived. It does not coincide with the law of temperature satisfied by the FRW universes, even asymptotically. However, by assuming an equation of state explicitly dependent of the space coordinates, it is shown that the FRW thermodynamics may be recovered. In all cases the Euler and Gibbs-Duhem relations are no longer valid. (author) [pt

Evidence for large temperature fluctuations in quasar accretion disks from spectral variability

Energy Technology Data Exchange (ETDEWEB)

Ruan, John J.; Anderson, Scott F.; Agol, Eric [Department of Astronomy, University of Washington, Box 351580, Seattle, WA 98195 (United States); Dexter, Jason, E-mail: jruan@astro.washington.edu [Departments of Physics and Astronomy, University of California, Berkeley, CA 94720 (United States)

2014-03-10

The well-known bluer-when-brighter trend observed in quasar variability is a signature of the complex processes in the accretion disk and can be a probe of the quasar variability mechanism. Using a sample of 604 variable quasars with repeat spectra in the Sloan Digital Sky Survey-I/II (SDSS), we construct difference spectra to investigate the physical causes of this bluer-when-brighter trend. The continuum of our composite difference spectrum is well fit by a power law, with a spectral index in excellent agreement with previous results. We measure the spectral variability relative to the underlying spectra of the quasars, which is independent of any extinction, and compare to model predictions. We show that our SDSS spectral variability results cannot be produced by global accretion rate fluctuations in a thin disk alone. However, we find that a simple model of an inhomogeneous disk with localized temperature fluctuations will produce power-law spectral variability over optical wavelengths. We show that the inhomogeneous disk will provide good fits to our observed spectral variability if the disk has large temperature fluctuations in many independently varying zones, in excellent agreement with independent constraints from quasar microlensing disk sizes, their strong UV spectral continuum, and single-band variability amplitudes. Our results provide an independent constraint on quasar variability models and add to the mounting evidence that quasar accretion disks have large localized temperature fluctuations.

Prediction study on mechanical and thermodynamic properties of orthorhombic Mg2SiO4 under high temperature

International Nuclear Information System (INIS)

Zhou, Jianting; Zhang, Hong; Chen, Yue; Shong, Jun; Chen, Zhuo; Yang, Juan; Zheng, Zhou; Wang, Feng

2014-01-01

In this work, based on density functional theory and quasi-harmonic Debye model, mechanical and thermodynamic properties of orthorhombic Mg 2 SiO 4 under high temperature are predicted. We found out that α-Mg 2 SiO 4 is mechanically stable under the condition from about 0 to 74 GPa. Results indicate that the main cause of mechanical instability is high pressure, and the effect caused by high temperature is small. C 11 , C 22 , C 33 , B and v p reduce with temperature just a little and increase with pressure obviously. Mg 2 SiO 4 has excellent resistance to strong compression; however the resistance to shear is unsatisfactory. The C v tends to the Petit and Dulong limit at high temperature under any pressure, and it is proportional to T 3 at extremely low temperature. Pressure has an opposite effect on C v than temperature. The suppressed effect on C v caused by pressure is not obvious under low and very high temperature. Mg 2 SiO 4 has three different thermal expansion coefficients (α) along a-, b- and c-axes, and α a <α c <α b . α increases rapidly at low temperature (about <300 K), and slows down at high temperature. High pressure would greatly suppress expansion caused by temperature. Nevertheless, increasing tendency of α b and α c is still obvious under high pressure, especially α b . All the properties are mainly due to Si–O covalent bonds and their directions

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

A fresh look at the thermodynamic consistency of vapour-liquid equilibria data

International Nuclear Information System (INIS)

Wisniak, Jaime; Ortega, Juan; Fernández, Luis

2017-01-01

Highlights: • The thermodynamic consistency tests commonly used to evaluate VLE data are presented and discussed. • Advantages/disadvantages for each one of test are listed using actual examples. • All manuscripts should include information about VLE variables and test results. • In any case, the Herington test should not be used for VLE data evaluation. • Simultaneous application of several tests is recommended. - Abstract: Design of a separation unit requires real information about the phase equilibrium of the system being handled. Accurate equilibrium data allows the best design from a thermodynamic viewpoint and contributes to a better knowledge about the behaviour of fluids and their mixtures. The principles behind the concept of thermodynamic consistency are presented and discussed. The present state of the art shows that no definite test is available for insuring the quality of the measured values. The main available procedures for testing the consistency of vapour-liquid equilibrium (VLE) data at constant temperature or pressure are reviewed and analysed and recommendations provided for their proper use, for the presentation of VLE results, and also some possible means for determining their quality. Suitable examples are provided about the adequate use of the available tests and about their misuse.

Influence of climate on emergency department visits for syncope: role of air temperature variability.

Directory of Open Access Journals (Sweden)

Andrea Galli

Full Text Available BACKGROUND: Syncope is a clinical event characterized by a transient loss of consciousness, estimated to affect 6.2/1000 person-years, resulting in remarkable health care and social costs. Human pathophysiology suggests that heat may promote syncope during standing. We tested the hypothesis that the increase of air temperatures from January to July would be accompanied by an increased rate of syncope resulting in a higher frequency of Emergency Department (ED visits. We also evaluated the role of maximal temperature variability in affecting ED visits for syncope. METHODOLOGY/PRINCIPAL FINDINGS: We included 770 of 2775 consecutive subjects who were seen for syncope at four EDs between January and July 2004. This period was subdivided into three epochs of similar length: 23 January-31 March, 1 April-31 May and 1 June-31 July. Spectral techniques were used to analyze oscillatory components of day by day maximal temperature and syncope variability and assess their linear relationship. There was no correlation between daily maximum temperatures and number of syncope. ED visits for syncope were lower in June and July when maximal temperature variability declined although the maximal temperatures themselves were higher. Frequency analysis of day by day maximal temperature variability showed a major non-random fluctuation characterized by a ∼23-day period and two minor oscillations with ∼3- and ∼7-day periods. This latter oscillation was correlated with a similar ∼7-day fluctuation in ED visits for syncope. CONCLUSIONS/SIGNIFICANCE: We conclude that ED visits for syncope were not predicted by daily maximal temperature but were associated with increased temperature variability. A ∼7-day rhythm characterized both maximal temperatures and ED visits for syncope variability suggesting that climate changes may have a significant effect on the mode of syncope occurrence.

The impact of quark masses on pQCD thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Graf, Thorben; Schaffner-Bielich, Juergen [Goethe University, Institute for Theoretical Physics, Frankfurt am Main (Germany); Fraga, Eduardo S. [Universidade Federal do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro (Brazil)

2016-07-15

We present results for several thermodynamic quantities within the next-to-leading order calculation of the thermodynamic potential in perturbative QCD at finite temperature and chemical potential including non-vanishing quark masses. These results are compared to lattice data and to higher-order optimized perturbative calculations to investigate the trend brought about by mass corrections. (orig.)

Thermodynamics in f(T Gravity with Nonminimal Coupling to Matter

Directory of Open Access Journals (Sweden)

Tahereh Azizi

2017-01-01

Full Text Available In the present paper, we study the thermodynamics behavior of the field equations for the generalized f(T gravity with arbitrary coupling between matter and the torsion scalar. In this regard, we explore the verification of the first law of thermodynamics at the apparent horizon of the Friedmann-Robertson-Walker universe in two different perspectives, namely, the nonequilibrium and equilibrium descriptions of thermodynamics. Furthermore, we investigate the validity of the second law of thermodynamics for both descriptions of this scenario with the assumption that the temperature of matter inside the horizon is similar to that of horizon.

Thermodynamical universality of the Lovelock black holes

OpenAIRE

Dadhich, Naresh; Pons, Josep M.; Prabhu, Kartik

2011-01-01

The necessary and sufficient condition for the thermodynamical universality of the static spherically symmetric Lovelock black hole is that it is the pure Lovelock {\\Lambda}-vacuum solution. By universality we mean the thermodynamical parameters: temperature and entropy always bear the same relationship to the horizon radius irrespective of the Lovelock order and the spacetime dimension. For instance, the entropy always goes in terms of the horizon radius as rh and r^2 respectively for h odd ...

An open-source thermodynamic software library

DEFF Research Database (Denmark)

Ritschel, Tobias Kasper Skovborg; Gaspar, Jozsef; Capolei, Andrea

This is a technical report which accompanies the article ”An open-source thermodynamic software library” which describes an efficient Matlab and C implementation for evaluation of thermodynamic properties. In this technical report we present the model equations, that are also presented in the paper......, together with a full set of first and second order derivatives with respect to temperature and pressure, and in cases where applicable, also with respect to mole numbers. The library is based on parameters and correlations from the DIPPR database and the Peng-Robinson and the Soave-Redlich-Kwong equations...

Thermodynamic Analysis of Simple Gas Turbine Cycle with Multiple Regression Modelling and Optimization

Directory of Open Access Journals (Sweden)

Abdul Ghafoor Memon

2014-03-01

Full Text Available In this study, thermodynamic and statistical analyses were performed on a gas turbine system, to assess the impact of some important operating parameters like CIT (Compressor Inlet Temperature, PR (Pressure Ratio and TIT (Turbine Inlet Temperature on its performance characteristics such as net power output, energy efficiency, exergy efficiency and fuel consumption. Each performance characteristic was enunciated as a function of operating parameters, followed by a parametric study and optimization. The results showed that the performance characteristics increase with an increase in the TIT and a decrease in the CIT, except fuel consumption which behaves oppositely. The net power output and efficiencies increase with the PR up to certain initial values and then start to decrease, whereas the fuel consumption always decreases with an increase in the PR. The results of exergy analysis showed the combustion chamber as a major contributor to the exergy destruction, followed by stack gas. Subsequently, multiple regression models were developed to correlate each of the response variables (performance characteristic with the predictor variables (operating parameters. The regression model equations showed a significant statistical relationship between the predictor and response variables.

Surface-temperature trends and variability in the low-latitude North Atlantic since 1552

KAUST Repository

Saenger, Casey

2009-06-21

Sea surface temperature variability in the North Atlantic Ocean recorded since about 1850 has been ascribed to a natural multidecadal oscillation superimposed on a background warming trend1-6. It has been suggested that the multidecadal variability may be a persistent feature6-8, raising the possibility that the associated climate impacts may be predictable7,8. owever, our understanding of the multidecadal ocean variability before the instrumental record is based on interpretations of high-latitude terrestrial proxy records. Here we present an absolutely dated and annually resolved record of sea surface temperature from the Bahamas, based on a 440-year time series of coral growth rates. The reconstruction indicates that temperatures were as warm as today from about 1552 to 1570, then cooled by about 1° C from 1650 to 1730 before warming until the present. Our estimates of background variability suggest that much of the warming since 1900 was driven by anthropogenic forcing. Interdecadal variability with a period of 15-25 years is superimposed on most of the record, but multidecadal variability becomes significant only after 1730. We conclude that the multidecadal variability in sea surface temperatures in the low-latitude western Atlantic Ocean may not be persistent, potentially making accurate decadal climate forecasts more difficult to achieve. © 2009 Macmillan Publishers Limited. All rights reserved.

Surface-temperature trends and variability in the low-latitude North Atlantic since 1552

KAUST Repository

Saenger, Casey; Cohen, Anne L.; Oppo, Delia W.; Halley, Robert B.; Carilli, Jessica E.

2009-01-01

Sea surface temperature variability in the North Atlantic Ocean recorded since about 1850 has been ascribed to a natural multidecadal oscillation superimposed on a background warming trend1-6. It has been suggested that the multidecadal variability may be a persistent feature6-8, raising the possibility that the associated climate impacts may be predictable7,8. owever, our understanding of the multidecadal ocean variability before the instrumental record is based on interpretations of high-latitude terrestrial proxy records. Here we present an absolutely dated and annually resolved record of sea surface temperature from the Bahamas, based on a 440-year time series of coral growth rates. The reconstruction indicates that temperatures were as warm as today from about 1552 to 1570, then cooled by about 1° C from 1650 to 1730 before warming until the present. Our estimates of background variability suggest that much of the warming since 1900 was driven by anthropogenic forcing. Interdecadal variability with a period of 15-25 years is superimposed on most of the record, but multidecadal variability becomes significant only after 1730. We conclude that the multidecadal variability in sea surface temperatures in the low-latitude western Atlantic Ocean may not be persistent, potentially making accurate decadal climate forecasts more difficult to achieve. © 2009 Macmillan Publishers Limited. All rights reserved.

Causes of Greenland temperature variability over the past 4000 yr: implications for northern hemispheric temperature changes

Directory of Open Access Journals (Sweden)

T. Kobashi

2013-10-01

Full Text Available Precise understanding of Greenland temperature variability is important in two ways. First, Greenland ice sheet melting associated with rising temperature is a major global sea level forcing, potentially affecting large populations in coming centuries. Second, Greenland temperatures are highly affected by North Atlantic Oscillation/Arctic Oscillation (NAO/AO and Atlantic multidecadal oscillation (AMO. In our earlier study, we found that Greenland temperature deviated negatively (positively from northern hemispheric (NH temperature trend during stronger (weaker solar activity owing to changes in atmospheric/oceanic changes (e.g. NAO/AO over the past 800 yr (Kobashi et al., 2013. Therefore, a precise Greenland temperature record can provide important constraints on the past atmospheric/oceanic circulation in the region and beyond. Here, we investigated Greenland temperature variability over the past 4000 yr reconstructed from argon and nitrogen isotopes from trapped air in a GISP2 ice core, using a one-dimensional energy balance model with orbital, solar, volcanic, greenhouse gas, and aerosol forcings. The modelled northern Northern Hemisphere (NH temperature exhibits a cooling trend over the past 4000 yr as observed for the reconstructed Greenland temperature through decreasing annual average insolation. With consideration of the negative influence of solar variability, the modelled and observed Greenland temperatures agree with correlation coefficients of r = 0.34–0.36 (p = 0.1–0.04 in 21 yr running means (RMs and r = 0.38–0.45 (p = 0.1–0.05 on a centennial timescale (101 yr RMs. Thus, the model can explain 14 to 20% of variance of the observed Greenland temperature in multidecadal to centennial timescales with a 90–96% confidence interval, suggesting that a weak but persistent negative solar influence on Greenland temperature continued over the past 4000 yr. Then, we estimated the distribution of multidecadal NH and northern high

Thermodynamics of freezing and melting

DEFF Research Database (Denmark)

Pedersen, Ulf Rørbæk; Costigliola, Lorenzo; Bailey, Nicholas

2016-01-01

phases at a single thermodynamic state point provide the basis for calculating the pressure, density and entropy of fusion as functions of temperature along the melting line, as well as the variation along this line of the reduced crystalline vibrational mean-square displacement (the Lindemann ratio...

The thermodynamic database COST MP0602 for materials for high-temperature lead-free soldering

Czech Academy of Sciences Publication Activity Database