The heat is on: thermodynamic analysis in fragment-based drug discovery

NARCIS (Netherlands)

Edink, E.S.; Jansen, C.J.W.; Leurs, R.; De Esch, I.J.

2010-01-01

Thermodynamic analysis provides access to the determinants of binding affinity, enthalpy and entropy. In fragment-based drug discovery (FBDD), thermodynamic analysis provides a powerful tool to discriminate fragments based on their potential for successful optimization. The thermodynamic data

Thermodynamic analysis and numerical modeling of supercritical injection

OpenAIRE

Banuti, Daniel

2015-01-01

Although liquid propellant rocket engines are operational and have been studied for decades, cryogenic injection at supercritical pressures is still considered essentially not understood. This thesis intends to approach this problem in three steps: by developing a numerical model for real gas thermodynamics, by extending the present thermodynamic view of supercritical injection, and finally by applying these methods to the analysis of injection. A new numerical real gas thermodynamics mode...

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)

Non-Equilibrium Thermodynamics of Self-Replicating Protocells

DEFF Research Database (Denmark)

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

2018-01-01

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

Rigorous Science: a How-To Guide

Directory of Open Access Journals (Sweden)

Arturo Casadevall

2016-11-01

Full Text Available Proposals to improve the reproducibility of biomedical research have emphasized scientific rigor. Although the word “rigor” is widely used, there has been little specific discussion as to what it means and how it can be achieved. We suggest that scientific rigor combines elements of mathematics, logic, philosophy, and ethics. We propose a framework for rigor that includes redundant experimental design, sound statistical analysis, recognition of error, avoidance of logical fallacies, and intellectual honesty. These elements lead to five actionable recommendations for research education.

Rigorous force field optimization principles based on statistical distance minimization

Energy Technology Data Exchange (ETDEWEB)

Vlcek, Lukas, E-mail: vlcekl1@ornl.gov [Chemical Sciences Division, Geochemistry & Interfacial Sciences Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110 (United States); Joint Institute for Computational Sciences, University of Tennessee, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6173 (United States); Chialvo, Ariel A. [Chemical Sciences Division, Geochemistry & Interfacial Sciences Group, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831-6110 (United States)

2015-10-14

We use the concept of statistical distance to define a measure of distinguishability between a pair of statistical mechanical systems, i.e., a model and its target, and show that its minimization leads to general convergence of the model’s static measurable properties to those of the target. We exploit this feature to define a rigorous basis for the development of accurate and robust effective molecular force fields that are inherently compatible with coarse-grained experimental data. The new model optimization principles and their efficient implementation are illustrated through selected examples, whose outcome demonstrates the higher robustness and predictive accuracy of the approach compared to other currently used methods, such as force matching and relative entropy minimization. We also discuss relations between the newly developed principles and established thermodynamic concepts, which include the Gibbs-Bogoliubov inequality and the thermodynamic length.

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.

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...

A primer on thermodynamic-based models for deciphering transcriptional regulatory logic.

Science.gov (United States)

Dresch, Jacqueline M; Richards, Megan; Ay, Ahmet

2013-09-01

A rigorous analysis of transcriptional regulation at the DNA level is crucial to the understanding of many biological systems. Mathematical modeling has offered researchers a new approach to understanding this central process. In particular, thermodynamic-based modeling represents the most biophysically informed approach aimed at connecting DNA level regulatory sequences to the expression of specific genes. The goal of this review is to give biologists a thorough description of the steps involved in building, analyzing, and implementing a thermodynamic-based model of transcriptional regulation. The data requirements for this modeling approach are described, the derivation for a specific regulatory region is shown, and the challenges and future directions for the quantitative modeling of gene regulation are discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

Systemic analysis of thermodynamic properties of lanthanide halides

International Nuclear Information System (INIS)

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

1992-01-01

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

Thermodynamics, thermoeconomic and economic analysis of ...

African Journals Online (AJOL)

The thermoeconomic analysis proposes the distribution of costs based on thermodynamic concepts, enabling the evaluation of reflection of the investment costs and fuel in the cost of products (steam and electricity). The economic analysis acts as a deciding factor for acceptance or project rejection. Keywords: Cogeneration ...

A case of instantaneous rigor?

Science.gov (United States)

Pirch, J; Schulz, Y; Klintschar, M

2013-09-01

The question of whether instantaneous rigor mortis (IR), the hypothetic sudden occurrence of stiffening of the muscles upon death, actually exists has been controversially debated over the last 150 years. While modern German forensic literature rejects this concept, the contemporary British literature is more willing to embrace it. We present the case of a young woman who suffered from diabetes and who was found dead in an upright standing position with back and shoulders leaned against a punchbag and a cupboard. Rigor mortis was fully established, livor mortis was strong and according to the position the body was found in. After autopsy and toxicological analysis, it was stated that death most probably occurred due to a ketoacidotic coma with markedly increased values of glucose and lactate in the cerebrospinal fluid as well as acetone in blood and urine. Whereas the position of the body is most unusual, a detailed analysis revealed that it is a stable position even without rigor mortis. Therefore, this case does not further support the controversial concept of IR.

Thermodynamics of phonon-modulated tunneling centers

International Nuclear Information System (INIS)

Junker, W.; Wagner, M.

1989-01-01

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

Thermodynamics in rotating systems—analysis of selected examples

International Nuclear Information System (INIS)

Güémez, J; Fiolhais, M

2014-01-01

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

Heading in the right direction: thermodynamics-based network analysis and pathway engineering.

Science.gov (United States)

Ataman, Meric; Hatzimanikatis, Vassily

2015-12-01

Thermodynamics-based network analysis through the introduction of thermodynamic constraints in metabolic models allows a deeper analysis of metabolism and guides pathway engineering. The number and the areas of applications of thermodynamics-based network analysis methods have been increasing in the last ten years. We review recent applications of these methods and we identify the areas that such analysis can contribute significantly, and the needs for future developments. We find that organisms with multiple compartments and extremophiles present challenges for modeling and thermodynamics-based flux analysis. The evolution of current and new methods must also address the issues of the multiple alternatives in flux directionalities and the uncertainties and partial information from analytical methods. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Thermodynamic analysis of chemical heat pumps

International Nuclear Information System (INIS)

Obermeier, Jonas; Müller, Karsten; Arlt, Wolfgang

2015-01-01

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

Characterizing the information content of cloud thermodynamic phase retrievals from the notional PACE OCI shortwave reflectance measurements

Science.gov (United States)

Coddington, O. M.; Vukicevic, T.; Schmidt, K. S.; Platnick, S.

2017-08-01

We rigorously quantify the probability of liquid or ice thermodynamic phase using only shortwave spectral channels specific to the National Aeronautics and Space Administration's Moderate Resolution Imaging Spectroradiometer, Visible Infrared Imaging Radiometer Suite, and the notional future Plankton, Aerosol, Cloud, ocean Ecosystem imager. The results show that two shortwave-infrared channels (2135 and 2250 nm) provide more information on cloud thermodynamic phase than either channel alone; in one case, the probability of ice phase retrieval increases from 65 to 82% by combining 2135 and 2250 nm channels. The analysis is performed with a nonlinear statistical estimation approach, the GEneralized Nonlinear Retrieval Analysis (GENRA). The GENRA technique has previously been used to quantify the retrieval of cloud optical properties from passive shortwave observations, for an assumed thermodynamic phase. Here we present the methodology needed to extend the utility of GENRA to a binary thermodynamic phase space (i.e., liquid or ice). We apply formal information content metrics to quantify our results; two of these (mutual and conditional information) have not previously been used in the field of cloud studies.

Partial Derivative Games in Thermodynamics: A Cognitive Task Analysis

Science.gov (United States)

Kustusch, Mary Bridget; Roundy, David; Dray, Tevian; Manogue, Corinne A.

2014-01-01

Several studies in recent years have demonstrated that upper-division students struggle with the mathematics of thermodynamics. This paper presents a task analysis based on several expert attempts to solve a challenging mathematics problem in thermodynamics. The purpose of this paper is twofold. First, we highlight the importance of cognitive task…

Thermodynamic implications of the gravitationally induced particle creation scenario

Energy Technology Data Exchange (ETDEWEB)

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

2017-03-15

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

Thermodynamic implications of the gravitationally induced particle creation scenario

International Nuclear Information System (INIS)

Saha, Subhajit; Mondal, Anindita

2017-01-01

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

Molecular thermodynamics of polymer melts at interfaces

International Nuclear Information System (INIS)

Theodorou, D.N.

1988-09-01

A lattice model is developed for the prediction of structure and thermodynamic properties at free polymer melt surfaces and polymer melt/solid interfaces. Density variations in the interfacial region are taken into account by introducing voids in the lattice, in the spirit of the equation of state theory of Sanchez and Lacombe. Intramolecular energy (chain stiffness) effects are explicitly incorporated. The model is derived through a rigorous statistical mechanical and thermodynamic analysis, which is based on the concept of availability. Two cases are considered: ''full equilibrium,'' whereby the interfacial polymer is taken as free to exchange heat, work and mass with a bulk polymer phase at given temperature and pressure; and ''restricted equilibrium,'' whereby a thin polymer film is allowed to equilibrate locally in response to ambient temperature and pressure, but in which chains do not necessarily have the same chemical potential as in the unconstrained bulk. Techniques are developed for calculating surface tension, adhesion tension, density profiles, chain shape, bond orientation, as well as the distribution of segments of various orders in the interfacial region. 28 refs., 6 figs

Thermodynamic modeling of hydrogen sulfide absorption by aqueous N-methyldiethanolamine using the Extended UNIQUAC model

DEFF Research Database (Denmark)

Sadegh, Negar; Stenby, Erling Halfdan; Thomsen, Kaj

2015-01-01

Aqueous MDEA is the most commonly used solvent for H2S removal from natural gas. A reliable thermodynamic model is required for the proper design of natural gas sweetening processes. In this study, a rigorous thermodynamic model is developed to represent properties of the H2S-MDEA-H2O ternary...

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.

Mathematical Rigor in Introductory Physics

Science.gov (United States)

Vandyke, Michael; Bassichis, William

2011-10-01

Calculus-based introductory physics courses intended for future engineers and physicists are often designed and taught in the same fashion as those intended for students of other disciplines. A more mathematically rigorous curriculum should be more appropriate and, ultimately, more beneficial for the student in his or her future coursework. This work investigates the effects of mathematical rigor on student understanding of introductory mechanics. Using a series of diagnostic tools in conjunction with individual student course performance, a statistical analysis will be performed to examine student learning of introductory mechanics and its relation to student understanding of the underlying calculus.

Conditioning and Robustness of RNA Boltzmann Sampling under Thermodynamic Parameter Perturbations.

Science.gov (United States)

Rogers, Emily; Murrugarra, David; Heitsch, Christine

2017-07-25

Understanding how RNA secondary structure prediction methods depend on the underlying nearest-neighbor thermodynamic model remains a fundamental challenge in the field. Minimum free energy (MFE) predictions are known to be "ill conditioned" in that small changes to the thermodynamic model can result in significantly different optimal structures. Hence, the best practice is now to sample from the Boltzmann distribution, which generates a set of suboptimal structures. Although the structural signal of this Boltzmann sample is known to be robust to stochastic noise, the conditioning and robustness under thermodynamic perturbations have yet to be addressed. We present here a mathematically rigorous model for conditioning inspired by numerical analysis, and also a biologically inspired definition for robustness under thermodynamic perturbation. We demonstrate the strong correlation between conditioning and robustness and use its tight relationship to define quantitative thresholds for well versus ill conditioning. These resulting thresholds demonstrate that the majority of the sequences are at least sample robust, which verifies the assumption of sampling's improved conditioning over the MFE prediction. Furthermore, because we find no correlation between conditioning and MFE accuracy, the presence of both well- and ill-conditioned sequences indicates the continued need for both thermodynamic model refinements and alternate RNA structure prediction methods beyond the physics-based ones. Copyright © 2017. Published by Elsevier Inc.

Putrefactive rigor: apparent rigor mortis due to gas distension.

Science.gov (United States)

Gill, James R; Landi, Kristen

2011-09-01

Artifacts due to decomposition may cause confusion for the initial death investigator, leading to an incorrect suspicion of foul play. Putrefaction is a microorganism-driven process that results in foul odor, skin discoloration, purge, and bloating. Various decompositional gases including methane, hydrogen sulfide, carbon dioxide, and hydrogen will cause the body to bloat. We describe 3 instances of putrefactive gas distension (bloating) that produced the appearance of inappropriate rigor, so-called putrefactive rigor. These gases may distend the body to an extent that the extremities extend and lose contact with their underlying support surface. The medicolegal investigator must recognize that this is not true rigor mortis and the body was not necessarily moved after death for this gravity-defying position to occur.

Thermodynamics-based Metabolite Sensitivity Analysis in metabolic networks.

Science.gov (United States)

Kiparissides, A; Hatzimanikatis, V

2017-01-01

The increasing availability of large metabolomics datasets enhances the need for computational methodologies that can organize the data in a way that can lead to the inference of meaningful relationships. Knowledge of the metabolic state of a cell and how it responds to various stimuli and extracellular conditions can offer significant insight in the regulatory functions and how to manipulate them. Constraint based methods, such as Flux Balance Analysis (FBA) and Thermodynamics-based flux analysis (TFA), are commonly used to estimate the flow of metabolites through genome-wide metabolic networks, making it possible to identify the ranges of flux values that are consistent with the studied physiological and thermodynamic conditions. However, unless key intracellular fluxes and metabolite concentrations are known, constraint-based models lead to underdetermined problem formulations. This lack of information propagates as uncertainty in the estimation of fluxes and basic reaction properties such as the determination of reaction directionalities. Therefore, knowledge of which metabolites, if measured, would contribute the most to reducing this uncertainty can significantly improve our ability to define the internal state of the cell. In the present work we combine constraint based modeling, Design of Experiments (DoE) and Global Sensitivity Analysis (GSA) into the Thermodynamics-based Metabolite Sensitivity Analysis (TMSA) method. TMSA ranks metabolites comprising a metabolic network based on their ability to constrain the gamut of possible solutions to a limited, thermodynamically consistent set of internal states. TMSA is modular and can be applied to a single reaction, a metabolic pathway or an entire metabolic network. This is, to our knowledge, the first attempt to use metabolic modeling in order to provide a significance ranking of metabolites to guide experimental measurements. Copyright © 2016 International Metabolic Engineering Society. Published by Elsevier

Thermodynamics of metabolic pathways for penicillin production: Analysis of thermodynamic feasibility and free energy changes during fed-batch cultivation

DEFF Research Database (Denmark)

Pissarra, P.D.; Nielsen, Jens Bredal

1997-01-01

This paper describes the thermodynamic analysis of pathways related to penicillin production in Penicillium chrysogenum. First a thermodynamic feasibility analysis is performed of the L-lysine pathway of which one of the precursors for penicillin biosynthesis (alpha-aminoadipic acid......) is an intermediate. It is found that the L-lysine pathway in P. chrysogenum is thermodynamically feasible and that the calculated standard Gibbs free energy values of the two enzymes controlling the pathway flux indicate that they operate far from equilibrium. It is therefore proposed that the regulation of alpha......-aminoadipate reductase by lysine is important to maintain a high concentration of alpha-aminoadipate in order to direct the carbon flux to penicillin production. Secondly the changes in Gibbs free energy in the penicillin biosynthetic pathway during fed-batch cultivation were studied. The analysis showed that all...

Analysis of thermodynamic properties for high-temperature superconducting oxides

International Nuclear Information System (INIS)

Kushwah, S.S.; Shanker, J.

1993-01-01

Analysis of thermodynamic properties such as specific heat, Debye temperature, Einstein temperature, thermal expansion coefficient, bulk modulus, and Grueneisen parameter is performed for rare-earth-based, Tl-based, and Bi-based superconducting copper oxides. Values of thermodynamic parameters are calculated and reported. The relationship between the Debye temperature and the superconducting transition temperature is used to estimate the values of T c using the interaction parameters from Ginzburg. (orig.)

Thermodynamics of Crystals

Science.gov (United States)

Navrotsky, Alexandra

Thermodynamics of Crystals is a gold mine of a references bargain with more derivations of useful equations per dollar, or per page, than almost any other book I know. Useful to whom? To the solid state physicist, the solid state chemist working the geophysicist, the rock mechanic, the mineral physicist. Useful for what? For lattice dynamics, crystal potentials, band structure. For elegant, rigorous, and concise derivations of fundamental equations. For comparison of levels of approximation. For some data and physical insights, especially for metals and simple halides. This book is a reissue, with some changes and additions, of a 1970 treatise. It ages well, since the fundamentals do not change.

Thermodynamic and mechanical properties of curved interfaces : a discussion of models

NARCIS (Netherlands)

Oversteegen, M.

2000-01-01

Although relatively much is known about the physics of curved interfaces, several models for these kind of systems seem conflicting or internally inconsistent. It is the aim of this thesis to derive a rigorous framework of thermodynamic and mechanical expressions and study their relation to

Monitoring muscle optical scattering properties during rigor mortis

Science.gov (United States)

Xia, J.; Ranasinghesagara, J.; Ku, C. W.; Yao, G.

2007-09-01

Sarcomere is the fundamental functional unit in skeletal muscle for force generation. In addition, sarcomere structure is also an important factor that affects the eating quality of muscle food, the meat. The sarcomere structure is altered significantly during rigor mortis, which is the critical stage involved in transforming muscle to meat. In this paper, we investigated optical scattering changes during the rigor process in Sternomandibularis muscles. The measured optical scattering parameters were analyzed along with the simultaneously measured passive tension, pH value, and histology analysis. We found that the temporal changes of optical scattering, passive tension, pH value and fiber microstructures were closely correlated during the rigor process. These results suggested that sarcomere structure changes during rigor mortis can be monitored and characterized by optical scattering, which may find practical applications in predicting meat quality.

Thermodynamic analysis of (Ni, Fe)3Al formation by mechanical alloying

International Nuclear Information System (INIS)

Adabavazeh, Z.; Karimzadeh, F.; Enayati, M.H.

2012-01-01

Highlights: ► (Ni, Fe) 3 Al intermetallic compound was synthesized by mechanical alloying. ► We use a thermodynamic analysis to predict the more stable phase. ► We calculate the Gibbs free-energy changes by using extended Miedema model. ► The results of MA compared with thermodynamic analysis and showed a good agreement with it. - Abstract: (Ni, Fe) 3 Al intermetallic compound was synthesized by mechanical alloying (MA) of Ni, Fe and Al elemental powder mixtures of composition Ni 50 Fe 25 Al 25 . Phase transformation and microstructure characteristics of the alloy powders were investigated by X-ray diffraction (XRD). The results show that mechanical alloying resulted in a Ni (Al, Fe) solid solution. By continued milling, this structure transformed to the disordered (Ni, Fe) 3 Al intermetallic compound. A thermodynamic model developed on the basis of extended theory of Miedema is used to calculate the Gibbs free-energy changes. Final product of MA is a phase having minimal Gibbs free energy compared with other competing phases in Ni–Fe–Al system. However in Ni–Fe–Al system, the most stable phase at all compositions is intermetallic compound (not amorphous phase or solid solution). The results of MA were compared with thermodynamic analysis and revealed the leading role of thermodynamic on the formation of MA product prediction.

Efficiency versus speed in quantum heat engines: Rigorous constraint from Lieb-Robinson bound

Science.gov (United States)

Shiraishi, Naoto; Tajima, Hiroyasu

2017-08-01

A long-standing open problem whether a heat engine with finite power achieves the Carnot efficiency is investgated. We rigorously prove a general trade-off inequality on thermodynamic efficiency and time interval of a cyclic process with quantum heat engines. In a first step, employing the Lieb-Robinson bound we establish an inequality on the change in a local observable caused by an operation far from support of the local observable. This inequality provides a rigorous characterization of the following intuitive picture that most of the energy emitted from the engine to the cold bath remains near the engine when the cyclic process is finished. Using this description, we prove an upper bound on efficiency with the aid of quantum information geometry. Our result generally excludes the possibility of a process with finite speed at the Carnot efficiency in quantum heat engines. In particular, the obtained constraint covers engines evolving with non-Markovian dynamics, which almost all previous studies on this topic fail to address.

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.

A thermodynamic definition of protein domains.

Science.gov (United States)

Porter, Lauren L; Rose, George D

2012-06-12

Protein domains are conspicuous structural units in globular proteins, and their identification has been a topic of intense biochemical interest dating back to the earliest crystal structures. Numerous disparate domain identification algorithms have been proposed, all involving some combination of visual intuition and/or structure-based decomposition. Instead, we present a rigorous, thermodynamically-based approach that redefines domains as cooperative chain segments. In greater detail, most small proteins fold with high cooperativity, meaning that the equilibrium population is dominated by completely folded and completely unfolded molecules, with a negligible subpopulation of partially folded intermediates. Here, we redefine structural domains in thermodynamic terms as cooperative folding units, based on m-values, which measure the cooperativity of a protein or its substructures. In our analysis, a domain is equated to a contiguous segment of the folded protein whose m-value is largely unaffected when that segment is excised from its parent structure. Defined in this way, a domain is a self-contained cooperative unit; i.e., its cooperativity depends primarily upon intrasegment interactions, not intersegment interactions. Implementing this concept computationally, the domains in a large representative set of proteins were identified; all exhibit consistency with experimental findings. Specifically, our domain divisions correspond to the experimentally determined equilibrium folding intermediates in a set of nine proteins. The approach was also proofed against a representative set of 71 additional proteins, again with confirmatory results. Our reframed interpretation of a protein domain transforms an indeterminate structural phenomenon into a quantifiable molecular property grounded in solution thermodynamics.

Mechanical breakdown in the nuclear multifragmentation phenomena. Thermodynamic analysis

International Nuclear Information System (INIS)

Bulavin, L.A.; Cherevko, K.V.; Sysoev, V.M.

2012-01-01

Based on a similarity of the Van der Waals and nucleon-nucleon interaction the known thermodynamic relations for ordinary liquids are used to analyze the possible decay channels in the proton induced nuclear multifragmentation phenomena. The main features of the different phase trajectories in the P-V plane are compared with the experimental data on multifragmentation. It allowed choosing the phase trajectories with the correct qualitative picture of the phenomena. Based on the thermodynamic analysis of the proton-induced multifragmentation phenomena the most appropriate decay channel corresponding to the realistic phase trajectory is chosen. Macroscopic analysis of the suggested decay channel is done in order to check the possibility of the mechanical breakdown of the heated system. Based on a simple thermodynamic model preliminary quantitative calculations of corresponding macroscopic parameters (energy, pressure) are done and therefore the model verification on macroscopic level is held. It is shown that on macroscopic level the chosen decay channel through the mechanical breakdown meets the necessary conditions for describing the proton-induced multifragmentation phenomena

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.

Thermodynamic analysis of biochemical systems

International Nuclear Information System (INIS)

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

1989-01-01

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

A Link between Nano- and Classical Thermodynamics: Dissipation Analysis (The Entropy Generation Approach in Nano-Thermodynamics

Directory of Open Access Journals (Sweden)

Umberto Lucia

2015-03-01

Full Text Available The interest in designing nanosystems is continuously growing. Engineers apply a great number of optimization methods to design macroscopic systems. If these methods could be introduced into the design of small systems, a great improvement in nanotechnologies could be achieved. To do so, however, it is necessary to extend classical thermodynamic analysis to small systems, but irreversibility is also present in small systems, as the Loschmidt paradox highlighted. Here, the use of the recent improvement of the Gouy-Stodola theorem to complex systems (GSGL approach, based on the use of entropy generation, is suggested to obtain the extension of classical thermodynamics to nanothermodynamics. The result is a new approach to nanosystems which avoids the difficulties highlighted in the usual analysis of the small systems, such as the definition of temperature for nanosystems.

Thermodynamically consistent Bayesian analysis of closed biochemical reaction systems

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Goutsias John

2010-11-01

Full Text Available Abstract Background Estimating the rate constants of a biochemical reaction system with known stoichiometry from noisy time series measurements of molecular concentrations is an important step for building predictive models of cellular function. Inference techniques currently available in the literature may produce rate constant values that defy necessary constraints imposed by the fundamental laws of thermodynamics. As a result, these techniques may lead to biochemical reaction systems whose concentration dynamics could not possibly occur in nature. Therefore, development of a thermodynamically consistent approach for estimating the rate constants of a biochemical reaction system is highly desirable. Results We introduce a Bayesian analysis approach for computing thermodynamically consistent estimates of the rate constants of a closed biochemical reaction system with known stoichiometry given experimental data. Our method employs an appropriately designed prior probability density function that effectively integrates fundamental biophysical and thermodynamic knowledge into the inference problem. Moreover, it takes into account experimental strategies for collecting informative observations of molecular concentrations through perturbations. The proposed method employs a maximization-expectation-maximization algorithm that provides thermodynamically feasible estimates of the rate constant values and computes appropriate measures of estimation accuracy. We demonstrate various aspects of the proposed method on synthetic data obtained by simulating a subset of a well-known model of the EGF/ERK signaling pathway, and examine its robustness under conditions that violate key assumptions. Software, coded in MATLAB®, which implements all Bayesian analysis techniques discussed in this paper, is available free of charge at http://www.cis.jhu.edu/~goutsias/CSS%20lab/software.html. Conclusions Our approach provides an attractive statistical methodology for

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

Experimental evaluation of rigor mortis. V. Effect of various temperatures on the evolution of rigor mortis.

Science.gov (United States)

Krompecher, T

1981-01-01

Objective measurements were carried out to study the evolution of rigor mortis on rats at various temperatures. Our experiments showed that: (1) at 6 degrees C rigor mortis reaches full development between 48 and 60 hours post mortem, and is resolved at 168 hours post mortem; (2) at 24 degrees C rigor mortis reaches full development at 5 hours post mortem, and is resolved at 16 hours post mortem; (3) at 37 degrees C rigor mortis reaches full development at 3 hours post mortem, and is resolved at 6 hours post mortem; (4) the intensity of rigor mortis grows with increase in temperature (difference between values obtained at 24 degrees C and 37 degrees C); and (5) and 6 degrees C a "cold rigidity" was found, in addition to and independent of rigor mortis.

Fundamentals of classical statistical thermodynamics dissipation, relaxation, and fluctuation theorems

CERN Document Server

Evans, Denis James; Williams, Stephen Rodney

2016-01-01

Both a comprehensive overview and a treatment at the appropriate level of detail, this textbook explains thermodynamics and generalizes the subject so it can be applied to small nano- or biosystems, arbitrarily far from or close to equilibrium. In addition, nonequilibrium free energy theorems are covered with a rigorous exposition of each one. Throughout, the authors stress the physical concepts along with the mathematical derivations. For researchers and students in physics, chemistry, materials science and molecular biology, this is a useful text for postgraduate courses in statistical mechanics, thermodynamics and molecular simulations, while equally serving as a reference for university teachers and researchers in these fields.

A thermodynamic study for the optimization of stable operation of free piston Stirling engines

Energy Technology Data Exchange (ETDEWEB)

Rogdakis, E.D.; Bormpilas, N.A.; Koniakos, I.K. [National Technical Univerisity, Athens (Greece). Dept. of Mechanical Engineering

2004-03-01

One of the most novel applications of the Stirling cycle is in the free piston configuration that was initially designed by W. Beale. In free piston Stirling engines (FPSEs), there are no mechanical linkages coupling the pistons or displacers, the motions of the reciprocating components follow the working gas pressure variations. Fillipo de Monte and G. Benvenuto have recently proposed a linearization technique of the dynamic balance equations. The aim of this paper is to predict the thermodynamic conditions for stable operation of FPSEs and their modeling. The equations of the angular velocity are solved analytically in terms of the working gas mass and the displacer-piston phase angle of the machine. Using the criterion of stable engine cyclic steady operation, a mathematically rigorous form is obtained for the main parameters of the engine. Furthermore, for simplicity reasons, thermodynamic magnitudes are obtained using the Schmidt analysis (isothermal model). (author)

A thermodynamic study for the optimization of stable operation of free piston Stirling engines

International Nuclear Information System (INIS)

Rogdakis, E.D.; Bormpilas, N.A.; Koniakos, I.K.

2004-01-01

One of the most novel applications of the Stirling cycle is in the free piston configuration that was initially designed by W. Beale. In free piston Stirling engines (FPSEs), there are no mechanical linkages coupling the pistons or displacers, the motions of the reciprocating components follow the working gas pressure variations. Fillipo de Monte and G. Benvenuto have recently proposed a linearization technique of the dynamic balance equations. The aim of this paper is to predict the thermodynamic conditions for stable operation of FPSEs and their modeling. The equations of the angular velocity are solved analytically in terms of the working gas mass and the displacer-piston phase angle of the machine. Using the criterion of stable engine cyclic steady operation, a mathematically rigorous form is obtained for the main parameters of the engine. Furthermore, for simplicity reasons, thermodynamic magnitudes are obtained using the Schmidt analysis (isothermal model)

Thermodynamic Property Surfaces for Adsorption of R507A, R134a, and n -Butane on Pitch-Based Carbonaceous Porous Materials

KAUST Repository

Chakraborty, Anutosh

2010-10-01

The thermodynamic property surfaces of R507A, R134a, and n-butane on pitch-based carbonaceous porous material (Maxsorb III) are developed from rigorous classical thermodynamics and experimentally measured adsorption isotherm data. These property fields enable us to compute the entropy, enthalpy, internal energy, and heat of adsorption as a function of pressure, temperature, and the amount of adsorbate. The entropy and enthalpy maps are necessary for the analysis of adsorption cooling cycle and gas storage. We have shown here that it is possible to plot an adsorption cooling cycle on the temperature-entropy (T-s) and enthalpy-uptake (h-x) maps. Copyright © Taylor and Francis Group, LLC 2010.

Thermodynamic Property Surfaces for Adsorption of R507A, R134a, and n -Butane on Pitch-Based Carbonaceous Porous Materials

KAUST Repository

Chakraborty, Anutosh; Saha, Bidyut Baran; Ng, Kim Choon; El-Sharkawy, Ibrahim I.; Koyama, Shigeru

2010-01-01

The thermodynamic property surfaces of R507A, R134a, and n-butane on pitch-based carbonaceous porous material (Maxsorb III) are developed from rigorous classical thermodynamics and experimentally measured adsorption isotherm data. These property fields enable us to compute the entropy, enthalpy, internal energy, and heat of adsorption as a function of pressure, temperature, and the amount of adsorbate. The entropy and enthalpy maps are necessary for the analysis of adsorption cooling cycle and gas storage. We have shown here that it is possible to plot an adsorption cooling cycle on the temperature-entropy (T-s) and enthalpy-uptake (h-x) maps. Copyright © Taylor and Francis Group, LLC 2010.

Thermodynamic and aerodynamic meanline analysis of wet compression in a centrifugal compressor

International Nuclear Information System (INIS)

Kang, Jeong Seek; Cha, Bong Jun; Yang, Soo Seok

2006-01-01

Wet compression means the injection of water droplets into the compressor of gas turbines. This method decreases the compression work and increases the turbine output by decreasing the compressor exit temperature through the evaporation of water droplets inside the compressor. Researches on wet compression, up to now, have been focused on the thermodynamic analysis of wet compression where the decrease in exit flow temperature and compression work is demonstrated. This paper provides thermodynamic and aerodynamic analysis on wet compression in a centrifugal compressor for a microturbine. The meanline dry compression performance analysis of centrifugal compressor is coupled with the thermodynamic equation of wet compression to get the meanline performance of wet compression. The most influencing parameter in the analysis is the evaporative rate of water droplets. It is found that the impeller exit flow temperature and compression work decreases as the evaporative rate increases. And the exit flow angle decreases as the evaporative rate increases

Statistical mechanics and the foundations of thermodynamics

International Nuclear Information System (INIS)

Martin-Loef, A.

1979-01-01

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

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.

Thermodynamic analysis of regulation in metabolic networks using constraint-based modeling

Directory of Open Access Journals (Sweden)

Mahadevan Radhakrishnan

2010-05-01

Full Text Available Abstract Background Geobacter sulfurreducens is a member of the Geobacter species, which are capable of oxidation of organic waste coupled to the reduction of heavy metals and electrode with applications in bioremediation and bioenergy generation. While the metabolism of this organism has been studied through the development of a stoichiometry based genome-scale metabolic model, the associated regulatory network has not yet been well studied. In this manuscript, we report on the implementation of a thermodynamics based metabolic flux model for Geobacter sulfurreducens. We use this updated model to identify reactions that are subject to regulatory control in the metabolic network of G. sulfurreducens using thermodynamic variability analysis. Findings As a first step, we have validated the regulatory sites and bottleneck reactions predicted by the thermodynamic flux analysis in E. coli by evaluating the expression ranges of the corresponding genes. We then identified ten reactions in the metabolic network of G. sulfurreducens that are predicted to be candidates for regulation. We then compared the free energy ranges for these reactions with the corresponding gene expression fold changes under conditions of different environmental and genetic perturbations and show that the model predictions of regulation are consistent with data. In addition, we also identify reactions that operate close to equilibrium and show that the experimentally determined exchange coefficient (a measure of reversibility is significant for these reactions. Conclusions Application of the thermodynamic constraints resulted in identification of potential bottleneck reactions not only from the central metabolism but also from the nucleotide and amino acid subsystems, thereby showing the highly coupled nature of the thermodynamic constraints. In addition, thermodynamic variability analysis serves as a valuable tool in estimating the ranges of ΔrG' of every reaction in the model

A Generalized Method for the Comparable and Rigorous Calculation of the Polytropic Efficiencies of Turbocompressors

Science.gov (United States)

Dimitrakopoulos, Panagiotis

2018-03-01

The calculation of polytropic efficiencies is a very important task, especially during the development of new compression units, like compressor impellers, stages and stage groups. Such calculations are also crucial for the determination of the performance of a whole compressor. As processors and computational capacities have substantially been improved in the last years, the need for a new, rigorous, robust, accurate and at the same time standardized method merged, regarding the computation of the polytropic efficiencies, especially based on thermodynamics of real gases. The proposed method is based on the rigorous definition of the polytropic efficiency. The input consists of pressure and temperature values at the end points of the compression path (suction and discharge), for a given working fluid. The average relative error for the studied cases was 0.536 %. Thus, this high-accuracy method is proposed for efficiency calculations related with turbocompressors and their compression units, especially when they are operating at high power levels, for example in jet engines and high-power plants.

Thermodynamic analysis of a milk pasteurization process assisted by geothermal energy

International Nuclear Information System (INIS)

Yildirim, Nurdan; Genc, Seda

2015-01-01

Renewable energy system is an important concern for sustainable development of the World. Thermodynamic analysis, especially exergy analysis is an intense tool to assess sustainability of the systems. Food processing industry is one of the energy intensive sectors where dairy industry consumes substantial amount of energy among other food industry segments. Therefore, in this study, thermodynamic analysis of a milk pasteurization process assisted by geothermal energy was studied. In the system, a water–ammonia VAC (vapor absorption cycle), a cooling section, a pasteurizer and a regenerator were used for milk pasteurization. Exergetic efficiencies of each component and the whole system were separately calculated. A parametric study was undertaken. In this regard, firstly the effect of the geothermal resource temperature on (i) the total exergy destruction of the absorption cycle and the whole system, (ii) the efficiency of the VAC, the whole system and COP (coefficient of performance) of the VAC, (iii) the flow rate of the pasteurized milk were investigated. Then, the effect of the geothermal resource flow rate on the pasteurization load was analyzed. The exergetic efficiency of the whole system was calculated as 56.81% with total exergy destruction rate of 13.66 kW. The exergetic results were also illustrated through the Grassmann diagram. - Highlights: • Geothermal energy assisted milk pasteurization system was studied thermodynamically. • The first study on exergetic analysis of a milk pasteurization process with VAC. • The thermodynamic properties of water–ammonia mixture were calculated by using EES. • Energetic and exergetic efficiency calculated as 71.05 and 56.81%, respectively.

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 analysis of the two-phase ejector air-conditioning system for buses

International Nuclear Information System (INIS)

Ünal, Şaban; Yilmaz, Tuncay

2015-01-01

Air-conditioning compressors of the buses are usually operated with the power taken from the engine of the buses. Therefore, an improvement in the air-conditioning system will reduce the fuel consumption of the buses. The improvement in the coefficient of performance (COP) of the air-conditioning system can be provided by using the two-phase ejector as an expansion valve in the air-conditioning system. In this study, the thermodynamic analysis of bus air-conditioning system enhanced with a two-phase ejector and two evaporators is performed. Thermodynamic analysis is made assuming that the mixing process in ejector occurs at constant cross-sectional area and constant pressure. The increase rate in the COP with respect to conventional system is analyzed in terms of the subcooling, condenser and evaporator temperatures. The analysis shows that COP improvement of the system by using the two phase ejector as an expansion device is 15% depending on design parameters of the existing bus air-conditioning system. - Highlights: • Thermodynamic analysis of the two-phase ejector refrigeration system. • Analysis of the COP increase rate of bus air-conditioning system. • Analysis of the entrainment ratio of the two-phase ejector refrigeration system

A Network Thermodynamic Approach to Compartmental Analysis

Science.gov (United States)

Mikulecky, D. C.; Huf, E. G.; Thomas, S. R.

1979-01-01

We introduce a general network thermodynamic method for compartmental analysis which uses a compartmental model of sodium flows through frog skin as an illustrative example (Huf and Howell, 1974a). We use network thermodynamics (Mikulecky et al., 1977b) to formulate the problem, and a circuit simulation program (ASTEC 2, SPICE2, or PCAP) for computation. In this way, the compartment concentrations and net fluxes between compartments are readily obtained for a set of experimental conditions involving a square-wave pulse of labeled sodium at the outer surface of the skin. Qualitative features of the influx at the outer surface correlate very well with those observed for the short circuit current under another similar set of conditions by Morel and LeBlanc (1975). In related work, the compartmental model is used as a basis for simulation of the short circuit current and sodium flows simultaneously using a two-port network (Mikulecky et al., 1977a, and Mikulecky et al., A network thermodynamic model for short circuit current transients in frog skin. Manuscript in preparation; Gary-Bobo et al., 1978). The network approach lends itself to computation of classic compartmental problems in a simple manner using circuit simulation programs (Chua and Lin, 1975), and it further extends the compartmental models to more complicated situations involving coupled flows and non-linearities such as concentration dependencies, chemical reaction kinetics, etc. PMID:262387

Thermodynamic analysis and theoretical study of a continuous operation solar-powered adsorption refrigeration system

International Nuclear Information System (INIS)

Hassan, H.Z.; Mohamad, A.A.

2013-01-01

Due to the intermittent nature of the solar radiation, the day-long continuous production of cold is a challenge for solar-driven adsorption cooling systems. In the present study, a developed solar-powered adsorption cooling system is introduced. The proposed system is able to produce cold continuously along the 24-h of the day. The theoretical thermodynamic operating cycle of the system is based on adsorption at constant temperature. Both the cooling system operating procedure as well as the theoretical thermodynamic cycle are described and explained. Moreover, a steady state differential thermodynamic analysis is performed for all components and processes of the introduced system. The analysis is based on the energy conservation principle and the equilibrium dynamics of the adsorption and desorption processes. The Dubinin–Astakhov adsorption equilibrium equation is used in this analysis. Furthermore, the thermodynamic properties of the refrigerant are calculated from its equation of state. The case studied represents a water chiller which uses activated carbon–methanol as the working pair. The chiller is found to produce a daily mass of 2.63 kg cold water at 0 °C from water at 25 °C per kg of adsorbent. Moreover, the proposed system attains a cooling coefficient of performance of 0.66. - Highlights: • A new continuous operation solar-driven adsorption refrigeration system is introduced. • The theoretical thermodynamic cycle is presented and explained. • A complete thermodynamic analysis is performed for all components and processes of the system. • Activated carbon–methanol is used as the working pair in the case study

Rigorous Analysis of a Randomised Number Field Sieve

OpenAIRE

Lee, Jonathan; Venkatesan, Ramarathnam

2018-01-01

Factorisation of integers $n$ is of number theoretic and cryptographic significance. The Number Field Sieve (NFS) introduced circa 1990, is still the state of the art algorithm, but no rigorous proof that it halts or generates relationships is known. We propose and analyse an explicitly randomised variant. For each $n$, we show that these randomised variants of the NFS and Coppersmith's multiple polynomial sieve find congruences of squares in expected times matching the best-known heuristic e...

The Rigor Mortis of Education: Rigor Is Required in a Dying Educational System

Science.gov (United States)

Mixon, Jason; Stuart, Jerry

2009-01-01

In an effort to answer the "Educational Call to Arms", our national public schools have turned to Advanced Placement (AP) courses as the predominate vehicle used to address the lack of academic rigor in our public high schools. Advanced Placement is believed by many to provide students with the rigor and work ethic necessary to…

Realizing rigor in the mathematics classroom

CERN Document Server

Hull, Ted H (Henry); Balka, Don S

2014-01-01

Rigor put within reach! Rigor: The Common Core has made it policy-and this first-of-its-kind guide takes math teachers and leaders through the process of making it reality. Using the Proficiency Matrix as a framework, the authors offer proven strategies and practical tools for successful implementation of the CCSS mathematical practices-with rigor as a central objective. You'll learn how to Define rigor in the context of each mathematical practice Identify and overcome potential issues, including differentiating instruction and using data

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

Directory of Open Access Journals (Sweden)

S. Watanabe

2008-01-01

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

Applying rigorous decision analysis methodology to optimization of a tertiary recovery project

International Nuclear Information System (INIS)

Wackowski, R.K.; Stevens, C.E.; Masoner, L.O.; Attanucci, V.; Larson, J.L.; Aslesen, K.S.

1992-01-01

This paper reports that the intent of this study was to rigorously look at all of the possible expansion, investment, operational, and CO 2 purchase/recompression scenarios (over 2500) to yield a strategy that would maximize net present value of the CO 2 project at the Rangely Weber Sand Unit. Traditional methods of project management, which involve analyzing large numbers of single case economic evaluations, was found to be too cumbersome and inaccurate for an analysis of this scope. The decision analysis methodology utilized a statistical approach which resulted in a range of economic outcomes. Advantages of the decision analysis methodology included: a more organized approach to classification of decisions and uncertainties; a clear sensitivity method to identify the key uncertainties; an application of probabilistic analysis through the decision tree; and a comprehensive display of the range of possible outcomes for communication to decision makers. This range made it possible to consider the upside and downside potential of the options and to weight these against the Unit's strategies. Savings in time and manpower required to complete the study were also realized

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

Directory of Open Access Journals (Sweden)

Samson Abramsky

2015-11-01

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

Thermodynamic analysis of environmental problems of energy

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Kaganovich Boris M.

2017-01-01

Full Text Available The paper discusses the problems of the ecological analysis of physicochemical processes in power units and the impact of energy systems on the nature in large territorial regions. The model of extreme intermediate states developed at the Energy Systems Institute based on the principles of classical equilibrium thermodynamics was chosen to devise specific computational methods. The results of the conducted studies are presented and directions for further work are outlined.

Cantera Integration with the Toolbox for Modeling and Analysis of Thermodynamic Systems (T-MATS)

Science.gov (United States)

Lavelle, Thomas M.; Chapman, Jeffryes W.; May, Ryan D.; Litt, Jonathan S.; Guo, Ten-Huei

2014-01-01

NASA Glenn Research Center (GRC) has recently developed a software package for modeling generic thermodynamic systems called the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS). T-MATS is a library of building blocks that can be assembled to represent any thermodynamic system in the Simulink (The MathWorks, Inc.) environment. These elements, along with a Newton Raphson solver (also provided as part of the T-MATS package), enable users to create models of a wide variety of systems. The current version of T-MATS (v1.0.1) uses tabular data for providing information about a specific mixture of air, water (humidity), and hydrocarbon fuel in calculations of thermodynamic properties. The capabilities of T-MATS can be expanded by integrating it with the Cantera thermodynamic package. Cantera is an object-oriented analysis package that calculates thermodynamic solutions for any mixture defined by the user. Integration of Cantera with T-MATS extends the range of systems that may be modeled using the toolbox. In addition, the library of elements released with Cantera were developed using MATLAB native M-files, allowing for quicker prototyping of elements. This paper discusses how the new Cantera-based elements are created and provides examples for using T-MATS integrated with Cantera.

Effects of rigor status during high-pressure processing on the physical qualities of farm-raised abalone (Haliotis rufescens).

Science.gov (United States)

Hughes, Brianna H; Greenberg, Neil J; Yang, Tom C; Skonberg, Denise I

2015-01-01

High-pressure processing (HPP) is used to increase meat safety and shelf-life, with conflicting quality effects depending on rigor status during HPP. In the seafood industry, HPP is used to shuck and pasteurize oysters, but its use on abalones has only been minimally evaluated and the effect of rigor status during HPP on abalone quality has not been reported. Farm-raised abalones (Haliotis rufescens) were divided into 12 HPP treatments and 1 unprocessed control treatment. Treatments were processed pre-rigor or post-rigor at 2 pressures (100 and 300 MPa) and 3 processing times (1, 3, and 5 min). The control was analyzed post-rigor. Uniform plugs were cut from adductor and foot meat for texture profile analysis, shear force, and color analysis. Subsamples were used for scanning electron microscopy of muscle ultrastructure. Texture profile analysis revealed that post-rigor processed abalone was significantly (P abalone meat was more tender than pre-rigor processed meat, and post-rigor processed foot meat was lighter in color than pre-rigor processed foot meat, suggesting that waiting for rigor to resolve prior to processing abalones may improve consumer perceptions of quality and market value. © 2014 Institute of Food Technologists®

Micro gas turbine thermodynamic and economic analysis up to 500 kWe size

International Nuclear Information System (INIS)

Galanti, Leandro; Massardo, Aristide F.

2011-01-01

Highlights: → Thermoeconomic analysis and optimization of micro gas turbines up to 500 kWe. → Analysis carried out for both regenerative and intercooled regenerative cycles. → Focus on thermodynamic, geometric and cost parameters of the main MGT devices. → ICR cycle has an interesting reduction in capital and electricity costs, rising size. → Complete thermoeconomic investigation is essential to support thermodynamic analysis. -- Abstract: In this paper a thermoeconomic analysis and optimization of micro gas turbines (MGT) up to 500 kWe is presented. This analysis is strongly related to the need of minimizing specific capital cost, still high for MGT large market penetration, and optimizing MGT size to match market needs. The analysis was carried out for both existing regenerative MGT cycles and new inter-cooled regenerative cycles, using the Web-based ThermoEconomic Modular Program by the University of Genoa. The attention is mainly focused on the basis of thermodynamic, geometric and capital cost parameters of the main MGT devices (such as recuperator size, material and effectiveness, turbine inlet temperature, and compressor pressure ratio) and on economic scenario (fuel cost, cost of electricity, etc.) for different MGT size in the range 25-500 kWe.

Experimental evaluation of rigor mortis. VI. Effect of various causes of death on the evolution of rigor mortis.

Science.gov (United States)

Krompecher, T; Bergerioux, C; Brandt-Casadevall, C; Gujer, H R

1983-07-01

The evolution of rigor mortis was studied in cases of nitrogen asphyxia, drowning and strangulation, as well as in fatal intoxications due to strychnine, carbon monoxide and curariform drugs, using a modified method of measurement. Our experiments demonstrated that: (1) Strychnine intoxication hastens the onset and passing of rigor mortis. (2) CO intoxication delays the resolution of rigor mortis. (3) The intensity of rigor may vary depending upon the cause of death. (4) If the stage of rigidity is to be used to estimate the time of death, it is necessary: (a) to perform a succession of objective measurements of rigor mortis intensity; and (b) to verify the eventual presence of factors that could play a role in the modification of its development.

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

Science.gov (United States)

Pekař, Miloslav

2018-01-01

Recently, a method based on non-equilibrium continuum thermodynamics which derives thermodynamically consistent reaction rate models together with thermodynamic constraints on their parameters was analyzed using a triangular reaction scheme. The scheme was kinetically of the first order. Here, the analysis is further developed for several first and second order schemes to gain a deeper insight into the thermodynamic consistency of rate equations and relationships between chemical thermodynamic and kinetics. It is shown that the thermodynamic constraints on the so-called proper rate coefficient are usually simple sign restrictions consistent with the supposed reaction directions. Constraints on the so-called coupling rate coefficients are more complex and weaker. This means more freedom in kinetic coupling between reaction steps in a scheme, i.e., in the kinetic effects of other reactions on the rate of some reaction in a reacting system. When compared with traditional mass-action rate equations, the method allows a reduction in the number of traditional rate constants to be evaluated from data, i.e., a reduction in the dimensionality of the parameter estimation problem. This is due to identifying relationships between mass-action rate constants (relationships which also include thermodynamic equilibrium constants) which have so far been unknown.

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

Kinetic and Thermodynamic Analysis of Acetyl-CoA Activation of Staphylococcus aureus Pyruvate Carboxylase.

Science.gov (United States)

Westerhold, Lauren E; Bridges, Lance C; Shaikh, Saame Raza; Zeczycki, Tonya N

2017-07-11

Allosteric regulation of pyruvate carboxylase (PC) activity is pivotal to maintaining metabolic homeostasis. In contrast, dysregulated PC activity contributes to the pathogenesis of numerous diseases, rendering PC a possible target for allosteric therapeutic development. Recent research efforts have focused on demarcating the role of acetyl-CoA, one of the most potent activators of PC, in coordinating catalytic events within the multifunctional enzyme. Herein, we report a kinetic and thermodynamic analysis of acetyl-CoA activation of the Staphylococcus aureus PC (SaPC)-catalyzed carboxylation of pyruvate to identify novel means by which acetyl-CoA synchronizes catalytic events within the PC tetramer. Kinetic and linked-function analysis, or thermodynamic linkage analysis, indicates that the substrates of the biotin carboxylase and carboxyl transferase domain are energetically coupled in the presence of acetyl-CoA. In contrast, both kinetic and energetic coupling between the two domains is lost in the absence of acetyl-CoA, suggesting a functional role for acetyl-CoA in facilitating the long-range transmission of substrate-induced conformational changes within the PC tetramer. Interestingly, thermodynamic activation parameters for the SaPC-catalyzed carboxylation of pyruvate are largely independent of acetyl-CoA. Our results also reveal the possibility that global conformational changes give rise to observed species-specific thermodynamic activation parameters. Taken together, our kinetic and thermodynamic results provide a possible allosteric mechanism by which acetyl-CoA coordinates catalysis within the PC tetramer.

Thermodynamic analysis of steam-injected advanced gas turbine cycles

Science.gov (United States)

Pandey, Devendra; Bade, Mukund H.

2017-12-01

This paper deals with thermodynamic analysis of steam-injected gas turbine (STIGT) cycle. To analyse the thermodynamic performance of steam-injected gas turbine (STIGT) cycles, a methodology based on pinch analysis is proposed. This graphical methodology is a systematic approach proposed for a selection of gas turbine with steam injection. The developed graphs are useful for selection of steam-injected gas turbine (STIGT) for optimal operation of it and helps designer to take appropriate decision. The selection of steam-injected gas turbine (STIGT) cycle can be done either at minimum steam ratio (ratio of mass flow rate of steam to air) with maximum efficiency or at maximum steam ratio with maximum net work conditions based on the objective of plants designer. Operating the steam injection based advanced gas turbine plant at minimum steam ratio improves efficiency, resulting in reduction of pollution caused by the emission of flue gases. On the other hand, operating plant at maximum steam ratio can result in maximum work output and hence higher available power.

A METHOD FOR EXERGY ANALYSIS OF SUGARCANE BAGASSE BOILERS

Directory of Open Access Journals (Sweden)

CORTEZ L.A.B.

1998-01-01

Full Text Available This work presents a method to conduct a thermodynamic analysis of sugarcane bagasse boilers. The method is based on the standard and actual reactions which allows the calculation of the enthalpies of each process subequation and the exergies of each of the main flowrates participating in the combustion. The method is presented using an example with real data from a sugarcane bagasse boiler. A summary of the results obtained is also presented together based on the 1st Law of Thermodynamics analysis, the exergetic efficiencies, and the irreversibility rates. The method presented is very rigorous with respect to data consistency, particularly for the flue gas composition.

Thermodynamic and multifractal formalism and the Bowen-series map

International Nuclear Information System (INIS)

Rudolph, O.

1994-07-01

In the theory of quantum chaos one studies the semiclassical behaviour of quantum mechanical systems whose corresponding classical counterparts exhibit chaos. These systems are sometimes considered as model systems in the theory of quantum chaos since they are well understood from a mathematical point of view. In this work we study the multifractal formalism for the geodesic flow on surfaces with constant negative curvature. The multifractal analysis of measures has been developed in order to characterize the scaling behaviour of measures on attractors of classical chaotic dynamical systems globally. In order to relate the multifractal formalism with quantities usually considered in the study of the geodesic flow on Riemann surfaces with constant negative curvature, it is necessary to establish the assertions of the multifractal formalism in a mathematically rigorous way. This is achieved with the help of the thermodynamic formalism for hyperbolic dynamical systems developed by Ruelle, Bowen and others. (orig.)

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.

Temporal Asymmetry, Entropic Irreversibility, and Finite-Time Thermodynamics: From Parmenides–Einstein Time-Reversal Symmetry to the Heraclitan Entropic Arrow of Time

Directory of Open Access Journals (Sweden)

Wassim M. Haddad

2012-02-01

Full Text Available In this paper, we combine the two universalisms of thermodynamics and dynamical systems theory to develop a dynamical system formalism for classical thermodynamics. Specifically, using a compartmental dynamical system energy flow model we develop a state-space dynamical system model that captures the key aspects of thermodynamics, including its fundamental laws. In addition, we establish the existence of a unique, continuously differentiable global entropy function for our dynamical system model, and using Lyapunov stability theory we show that the proposed thermodynamic model has finite-time convergent trajectories to Lyapunov stable equilibria determined by the system initial energies. Finally, using the system entropy, we establish the absence of Poincaré recurrence for our thermodynamic model and develop clear and rigorous connections between irreversibility, the second law of thermodynamics, and the entropic arrow of time.

Thermodynamic Analysis of Oxygen-Enriched Direct Smelting of Jamesonite Concentrate

Science.gov (United States)

Zhang, Zhong-Tang; Dai, Xi; Zhang, Wen-Hai

2017-12-01

Thermodynamic analysis of oxygen-enriched direct smelting of jamesonite concentrate is reported in this article. First, the occurrence state of lead, antimony and other metallic elements in the smelting process was investigated theoretically. Then, the verification test was carried out. The results indicate that lead and antimony mainly exist in the alloy in the form of metallic lead and metallic antimony. Simultaneously, lead and antimony were also oxidized into the slag in the form of lead-antimony oxide. Iron and copper could be oxidized into the slag in the form of oxides in addition to combining with antimony in the alloy, while zinc was mainly oxidized into the slag in the form of zinc oxide. The verification test indicates that the main phases in the alloy contain metallic lead, metallic antimony and a small amount of Cu2Sb, FeSb2 intermetallic compounds, and the slag is mainly composed of kirschsteinite, fayalite and zinc oxide, in agreement with the thermodynamic analysis.

Thermodynamic Green functions in theory of superconductivity

Directory of Open Access Journals (Sweden)

N.M.Plakida

2006-01-01

Full Text Available A general theory of superconductivity is formulated within the thermodynamic Green function method for various types of pairing mediated by phonons, spin fluctuations, and strong Coulomb correlations in the Hubbard and t-J models. A rigorous Dyson equation for matrix Green functions is derived in terms of a self-energy as a many-particle Green function. By applying the noncrossing approximation for the self-energy, a closed self-consistent system of equations is obtained, similar to the conventional Eliashberg equations. A brief discussion of superconductivity mediated by kinematic interaction with an estimation of a superconducting transition temperature in the Hubbard model is given.

Thermodynamically consistent simulation of nonisothermal diffuse-interface two-phase flow with Peng-Robinson equation of state

KAUST Repository

Kou, Jisheng; Sun, Shuyu

2017-01-01

In this paper, we consider a diffuse-interface gas-liquid two-phase flow model with inhomogeneous temperatures, in which we employ the Peng-Robinson equation of state and the temperature-dependent influence parameter instead of the van der Waals equation of state and the constant influence parameter used in the existing models. As a result, our model can characterize accurately the physical behaviors of numerous realistic gas-liquid fluids, especially hydrocarbons. Furthermore, we prove a relation associating the pressure gradient with the gradients of temperature and chemical potential, and thereby derive a new formulation of the momentum balance equation, which shows that gradients of the chemical potential and temperature become the primary driving force of the fluid motion. It is rigorously proved that the new formulations of the model obey the first and second laws of thermodynamics. To design efficient numerical methods, we prove that Helmholtz free energy density is a concave function with respect to the temperature under certain physical conditions. Based on the proposed modeling formulations and the convex-concave splitting of Helmholtz free energy density, we propose a novel thermodynamically stable numerical scheme. We rigorously prove that the proposed method satisfies the first and second laws of thermodynamics. Finally, numerical tests are carried out to verify the effectiveness of the proposed simulation method.

Thermodynamically consistent simulation of nonisothermal diffuse-interface two-phase flow with Peng-Robinson equation of state

KAUST Repository

Kou, Jisheng

2017-12-06

In this paper, we consider a diffuse-interface gas-liquid two-phase flow model with inhomogeneous temperatures, in which we employ the Peng-Robinson equation of state and the temperature-dependent influence parameter instead of the van der Waals equation of state and the constant influence parameter used in the existing models. As a result, our model can characterize accurately the physical behaviors of numerous realistic gas-liquid fluids, especially hydrocarbons. Furthermore, we prove a relation associating the pressure gradient with the gradients of temperature and chemical potential, and thereby derive a new formulation of the momentum balance equation, which shows that gradients of the chemical potential and temperature become the primary driving force of the fluid motion. It is rigorously proved that the new formulations of the model obey the first and second laws of thermodynamics. To design efficient numerical methods, we prove that Helmholtz free energy density is a concave function with respect to the temperature under certain physical conditions. Based on the proposed modeling formulations and the convex-concave splitting of Helmholtz free energy density, we propose a novel thermodynamically stable numerical scheme. We rigorously prove that the proposed method satisfies the first and second laws of thermodynamics. Finally, numerical tests are carried out to verify the effectiveness of the proposed simulation method.

Experimental evaluation of rigor mortis. VII. Effect of ante- and post-mortem electrocution on the evolution of rigor mortis.

Science.gov (United States)

Krompecher, T; Bergerioux, C

1988-01-01

The influence of electrocution on the evolution of rigor mortis was studied on rats. Our experiments showed that: (1) Electrocution hastens the onset of rigor mortis. After an electrocution of 90 s, a complete rigor develops already 1 h post-mortem (p.m.) compared to 5 h p.m. for the controls. (2) Electrocution hastens the passing of rigor mortis. After an electrocution of 90 s, the first significant decrease occurs at 3 h p.m. (8 h p.m. in the controls). (3) These modifications in rigor mortis evolution are less pronounced in the limbs not directly touched by the electric current. (4) In case of post-mortem electrocution, the changes are slightly less pronounced, the resistance is higher and the absorbed energy is lower as compared with the ante-mortem electrocution cases. The results are completed by two practical observations on human electrocution cases.

The quantitative analysis of data for magnetization of ferromagnet. Extended thermodynamic approach

International Nuclear Information System (INIS)

Bodryakov, V.Yu.; Bashkatov, A.N.

2005-01-01

A quantitative analysis of M(H,T) data on magnetization of a gadolinium single crystal in the vicinity of Curie point is accomplished within the frameworks of extended thermodynamic approach. It is established that actually observed behavior of temperature dependences of thermodynamic coefficients for gadolinium even near Curie point is sharply different from that in Landau theory. A discrepancy revealed leads to conclusion that traditional concepts should be revised. The solution of extended equation of a ferromagnet magnetic state is found and criteria of its stability are shown [ru

Single-case synthesis tools I: Comparing tools to evaluate SCD quality and rigor.

Science.gov (United States)

Zimmerman, Kathleen N; Ledford, Jennifer R; Severini, Katherine E; Pustejovsky, James E; Barton, Erin E; Lloyd, Blair P

2018-03-03

Tools for evaluating the quality and rigor of single case research designs (SCD) are often used when conducting SCD syntheses. Preferred components include evaluations of design features related to the internal validity of SCD to obtain quality and/or rigor ratings. Three tools for evaluating the quality and rigor of SCD (Council for Exceptional Children, What Works Clearinghouse, and Single-Case Analysis and Design Framework) were compared to determine if conclusions regarding the effectiveness of antecedent sensory-based interventions for young children changed based on choice of quality evaluation tool. Evaluation of SCD quality differed across tools, suggesting selection of quality evaluation tools impacts evaluation findings. Suggestions for selecting an appropriate quality and rigor assessment tool are provided and across-tool conclusions are drawn regarding the quality and rigor of studies. Finally, authors provide guidance for using quality evaluations in conjunction with outcome analyses when conducting syntheses of interventions evaluated in the context of SCD. Copyright © 2018 Elsevier Ltd. All rights reserved.

THERMODYNAMICS OF PROTEIN-LIGAND INTERACTIONS AND THEIR ANALYSIS

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Rummi Devi Saini

2017-11-01

Full Text Available Physiological processes are controlled mainly by intermolecular recognition mechanisms which involve protein–protein and protein–ligand interactions with a high specificity and affinity to form a specific complex. Proteins being an important class of macromolecules in biological systems, it is important to understand their actions through binding to other molecules of proteins or ligands. In fact, the binding of low molecular weight ligands to proteins plays a significant role in regulating biological processes such as cellular metabolism and signal transmission. Therefore knowledge of the protein–ligand interactions and the knowledge of the mechanisms involved in the protein-ligand recognition and binding are key in understanding biology at molecular level which will facilitate the discovery, design, and development of drugs. In this review, the mechanisms involved in protein–ligand binding, the binding kinetics, thermodynamic concepts and binding driving forces are discussed. Thermodynamic mechanisms involved in a few important protein-ligand binding are described. Various spectroscopic, non-spectroscopic and computational method for analysis of protein–ligand binding are also discussed.

Rigor, vigor, and the study of health disparities.

Science.gov (United States)

Adler, Nancy; Bush, Nicole R; Pantell, Matthew S

2012-10-16

Health disparities research spans multiple fields and methods and documents strong links between social disadvantage and poor health. Associations between socioeconomic status (SES) and health are often taken as evidence for the causal impact of SES on health, but alternative explanations, including the impact of health on SES, are plausible. Studies showing the influence of parents' SES on their children's health provide evidence for a causal pathway from SES to health, but have limitations. Health disparities researchers face tradeoffs between "rigor" and "vigor" in designing studies that demonstrate how social disadvantage becomes biologically embedded and results in poorer health. Rigorous designs aim to maximize precision in the measurement of SES and health outcomes through methods that provide the greatest control over temporal ordering and causal direction. To achieve precision, many studies use a single SES predictor and single disease. However, doing so oversimplifies the multifaceted, entwined nature of social disadvantage and may overestimate the impact of that one variable and underestimate the true impact of social disadvantage on health. In addition, SES effects on overall health and functioning are likely to be greater than effects on any one disease. Vigorous designs aim to capture this complexity and maximize ecological validity through more complete assessment of social disadvantage and health status, but may provide less-compelling evidence of causality. Newer approaches to both measurement and analysis may enable enhanced vigor as well as rigor. Incorporating both rigor and vigor into studies will provide a fuller understanding of the causes of health disparities.

Role of the heat capacity change in understanding and modeling melting thermodynamics of complementary duplexes containing standard and nucleobase-modified LNA.

Science.gov (United States)

Hughesman, Curtis B; Turner, Robin F B; Haynes, Charles A

2011-06-14

Melting thermodynamic data obtained by differential scanning calorimetry (DSC) are reported for 43 duplexed oligonucleotides containing one or more locked nucleic acid (LNA) substitutions. The measured heat capacity change (ΔC(p)) for the helix-to-coil transition is used to compute the changes in enthalpy and entropy for melting of an LNA-bearing duplex at the T(m) of its corresponding isosequential unmodified DNA duplex to allow rigorous thermodynamic analysis of the stability enhancements provided by LNA substitutions. Contrary to previous studies, our analysis shows that the origin of the improved stability is almost exclusively a net reduction (ΔΔS° thermodynamics and the increased melting temperature (ΔT(m)) of heteroduplexes formed between an unmodified DNA strand and a complementary strand containing any number and configuration of standard LNA nucleotides A, T, C, and G. This single-base thermodynamic (SBT) model requires only four entropy-related parameters in addition to ΔC(p). Finally, DSC data for 20 duplexes containing the nucleobase-modified LNAs 2-aminoadenine (D) and 2-thiothymine (H) are reported and used to determine SBT model parameters for D and H. The data and model suggest that along with the greater stability enhancement provided by D and H bases relative to their corresponding A and T analogues, the unique pseudocomplementary properties of D-H base pairs may make their use appealing for in vitro and in vivo applications.

Analysis of the Glass-Forming Ability of Fe-Er Alloys, Based on Thermodynamic Modeling

Science.gov (United States)

Arutyunyan, N. A.; Zaitsev, A. I.; Dunaev, S. F.; Kalmykov, K. B.; El'nyakov, D. D.; Shaposhnikov, N. G.

2018-05-01

The Fe-Er phase diagram and thermodynamic properties of all its phases are assessed by means of self-consistent analysis. To refine the data on phase equilibria in the Fe-Er system, an investigation is performed in the 10-40 at % range of Er concentrations. The temperature-concentration dependences of the thermodynamic properties of a melt are presented using the model of ideal associated solutions. Thermodynamic parameters of each phase are obtained, and the calculated results are in agreement with available experimental data. The correlation between the thermodynamic properties of liquid Fe-Er alloys and their tendency toward amorphization are studied. It is shown that compositions of amorphous alloys prepared by melt quenching coincide with the ranges of concentration with the predominance of Fe3Er and FeEr2 associative groups that have large negative entropies of formation.

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

Development of rigor mortis is not affected by muscle volume.

Science.gov (United States)

Kobayashi, M; Ikegaya, H; Takase, I; Hatanaka, K; Sakurada, K; Iwase, H

2001-04-01

There is a hypothesis suggesting that rigor mortis progresses more rapidly in small muscles than in large muscles. We measured rigor mortis as tension determined isometrically in rat musculus erector spinae that had been cut into muscle bundles of various volumes. The muscle volume did not influence either the progress or the resolution of rigor mortis, which contradicts the hypothesis. Differences in pre-rigor load on the muscles influenced the onset and resolution of rigor mortis in a few pairs of samples, but did not influence the time taken for rigor mortis to reach its full extent after death. Moreover, the progress of rigor mortis in this muscle was biphasic; this may reflect the early rigor of red muscle fibres and the late rigor of white muscle fibres.

THERMODYNAMIC TOPOLOGICAL ANALYSIS OF EXTRACTIVE DISTILLATION OF MAXIMUM BOILING AZEOTROPES

Directory of Open Access Journals (Sweden)

W. F. Shen

2015-12-01

Full Text Available Abstract This paper provides a feasibility study of azeotropic mixture separation based on a topological analysis combining thermodynamic knowledge of residue curve maps, univolatility and unidistribution curves, and extractive profiles. Thermodynamic topological features related to process operations for typical ternary diagram classes 1.0-2 are, for the first time, discussed. Separating acetone/chloroform is presented as an illustrative example; different entrainers are investigated: several heavy ones, a light one, and water, covering the Serafimov classes 1.0-2, 1.0-1a and 3.1-4, respectively. The general feasibility criterion that was previously established for ternary mixtures including only one azeotrope (1.0-1a or 1.0-2 is now, for the first time, extended to that including three azeotropes (class 3.1–4.

Thermodynamic analysis and experimental investigation of a Solo V161 Stirling cogeneration unit

International Nuclear Information System (INIS)

Rogdakis, E.D.; Antonakos, G.D.; Koronaki, I.P.

2012-01-01

In order to investigate the Stirling engine implementation technology, a Solo Stirling Engine V161 cogeneration module has been installed at the Laboratory of Applied Thermodynamics of National Technical University of Athens. A special thermodynamic analysis of the engine's performance has been conducted introducing and utilizing specially designed computing codes along with the thermal balance study of the unit. Measurements were conducted under different operational conditions concerning various heat load stages of the engine, working pressure, as well as electric power production. Analysis of the experimental results has shown that the overall performance of the Stirling unit proved very promising and quite adequate for various areal applications, equally competing with other CHP systems. The performance of the unit experienced significant stability all over the operating range. The power stand ratio 0.35 differentiates Stirling cogeneration units from others that use diverging technologies significantly. The energy savings using a Stirling CHP unit, in respect to the concurrent use of a thermal and an electrical system at the same equivalent power has revealed 36.8%. -- Highlights: ► Thermodynamic analysis of an a-type Stirling engine. ► Development of generated electrical and thermal power of the m-CHP Solo Stirling Unit to engine's load comparison. ► Stirling m-CHP until heat balance analysis. ► Evaluation of the Solo Stirling V161 unit efficiency.

Optimization of powered Stirling heat engine with finite speed thermodynamics

International Nuclear Information System (INIS)

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

2016-01-01

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

Thermodynamics of quantum strings

CERN Document Server

Morgan, M J

1994-01-01

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

Grid inhomogeneous solvation theory: hydration structure and thermodynamics of the miniature receptor cucurbit[7]uril.

Science.gov (United States)

Nguyen, Crystal N; Young, Tom Kurtzman; Gilson, Michael K

2012-07-28

The displacement of perturbed water upon binding is believed to play a critical role in the thermodynamics of biomolecular recognition, but it is nontrivial to unambiguously define and answer questions about this process. We address this issue by introducing grid inhomogeneous solvation theory (GIST), which discretizes the equations of inhomogeneous solvation theory (IST) onto a three-dimensional grid situated in the region of interest around a solute molecule or complex. Snapshots from explicit solvent simulations are used to estimate localized solvation entropies, energies, and free energies associated with the grid boxes, or voxels, and properly summing these thermodynamic quantities over voxels yields information about hydration thermodynamics. GIST thus provides a smoothly varying representation of water properties as a function of position, rather than focusing on hydration sites where solvent is present at high density. It therefore accounts for full or partial displacement of water from sites that are highly occupied by water, as well as for partly occupied and water-depleted regions around the solute. GIST can also provide a well-defined estimate of the solvation free energy and therefore enables a rigorous end-states analysis of binding. For example, one may not only use a first GIST calculation to project the thermodynamic consequences of displacing water from the surface of a receptor by a ligand, but also account, in a second GIST calculation, for the thermodynamics of subsequent solvent reorganization around the bound complex. In the present study, a first GIST analysis of the molecular host cucurbit[7]uril is found to yield a rich picture of hydration structure and thermodynamics in and around this miniature receptor. One of the most striking results is the observation of a toroidal region of high water density at the center of the host's nonpolar cavity. Despite its high density, the water in this toroidal region is disfavored energetically and

Thermodynamic analysis applied to a food-processing plant

Energy Technology Data Exchange (ETDEWEB)

Ho, J C; Chandratilleke, T T

1987-01-01

Two production lines of a multi-product, food-processing plant are selected for energy auditing and analysis. Thermodynamic analysis showed that the first-law and second-law efficiencies are 81.5% and 26.1% for the instant-noodles line and 23.6% and 7.9% for the malt-beverage line. These efficiency values are dictated primarily by the major energy-consuming sub-processes of each production line. Improvements in both first-law and second-law efficiencies are possible for the plants if the use of steam for heating is replaced by gaseous or liquid fuels, the steam ejectors for creating vacuum are replaced by a mechanical pump, and employing the cooler surroundings to assist in the cooling process.

Thermodynamic analysis and phase equilibria investigation in Pb−Zn−Ag system

Directory of Open Access Journals (Sweden)

Mitovski Aleksandra M.

2010-01-01

Full Text Available Physico-chemical processes that take place during the refining process in the extractive metallurgy of lead, are connected with ternary Pb−Zn−Ag system, which is necessary to study from the theoretical practical and aspects. Such investigation is important from production point of view, because of the phenomena that occur during desilvering of lead which is one of the important stages during lead refining process. Process of lead desilvering binds to ternary system Pb−Zn−Ag, which was the reason for numerous investigations, both from thermodynamic point of view and in terms of testing and determining the phase diagram, bearing in mind the theoretical, and practical importance of knowledge about the processes which are going in investigated system. The paper presents the results of thermodynamic analysis and investigation of phase equilibria of the Pb−Zn−Ag ternary system using the method of thermodynamic predictions and phase diagrams calculations, respectively, and the experimental results of metalography obtained by optical microscopy. Phase diagram of the vertical section Pb−Zn80Ag20 is presented, obtained by CALPHAD calculation methodology, and using PANDAT thermodynamic software, compared to experimental results obtained by DTA analysis. The results show a pronounced break in solubility, which is characteristic for the whole ternary Pb−Zn−Ag system. Also, it can be noticed that the thermodynamic properties follow the behavior of this system, which is expressed through positive deviation of Raoult’s law, pointing to the lack of lead affinity compared to the other two components in the system. The optical microscopy results of the investigated system show the following: - Sample L1 (weight% Pb = 98: the structure of the observed section shows double eutectic (Pbsol+Zn−Agsol which lies in the base of the primary crystals of lead (Pbsol - Samples L2−L5: the structure consists of a dual eutectic (Pbsol+Zn−Agsol and

Calculation and analysis of thermodynamic relations for superconductors

International Nuclear Information System (INIS)

Nazarenko, A.B.

1989-01-01

The absorption coefficients of high-frequency and low-frequency sound have been calculated on the basis of the Ginzburg-Landau theory. This sound is a wave of periodic adiabatic bulk compressions and rarefactions of the frequency ω in an isotropic superconductor near the transition temperature. Thermodynamic relations have been obtained for abrupt changes in the physical quantities produced as a result of a transition from the normal state to the superconducting state. These relations are similar to the Ehrenfest relations. The above--mentioned thermodynamic quantities are compared with the published experimental results on YBa 2 Cu 3 O 7-δ . The experiments on the absorption of ultrasound in recently discovered superconductors mainformation on the phase transition type and thermodynamic relations for these superconductors, in particular, the T c -vs-dp curve. Similar calculations have been carried out for 2 He-transition experiments with ferromagnetic materials. The order parameter in the thermodynamic potential was assumed to be isotropic

The realization and analysis of a new thermodynamic cycle for internal combustion engine

Directory of Open Access Journals (Sweden)

Dorić Jovan Ž.

2011-01-01

Full Text Available This paper presents description and thermodynamic analysis of a new thermodynamic cycle. Realization of this new cycle is possible to achieve with valveless internal combustion engine with more complete expansion. The main purpose of this new IC engine is to increase engines’ thermal efficiency. The engine was designed so that the thermodynamic changes of the working fluid are different than in conventional engines. Specific differences are reflected in a more complete expansion of the working fluid (the expansion stroke is larger than compression stroke, valveless gas flowing and complete discharge of residual combustion products from the combustion chamber. In this concept, the movement of the piston is different than in conventional piston mechanisms. The results obtained herein include the efficiency characteristics of irreversible reciprocating new engine cycle which is very similar to Miller cycle. The results show that with this thermodynamic cycle engine has higher efficiency than with the standard Otto cycle. In this article, the patent application material under number 2008/607 at the Intellectual Property Office of the Republic of Serbia was used.

Long persistence of rigor mortis at constant low temperature.

Science.gov (United States)

Varetto, Lorenzo; Curto, Ombretta

2005-01-06

We studied the persistence of rigor mortis by using physical manipulation. We tested the mobility of the knee on 146 corpses kept under refrigeration at Torino's city mortuary at a constant temperature of +4 degrees C. We found a persistence of complete rigor lasting for 10 days in all the cadavers we kept under observation; and in one case, rigor lasted for 16 days. Between the 11th and the 17th days, a progressively increasing number of corpses showed a change from complete into partial rigor (characterized by partial bending of the articulation). After the 17th day, all the remaining corpses showed partial rigor and in the two cadavers that were kept under observation "à outrance" we found the absolute resolution of rigor mortis occurred on the 28th day. Our results prove that it is possible to find a persistence of rigor mortis that is much longer than the expected when environmental conditions resemble average outdoor winter temperatures in temperate zones. Therefore, this datum must be considered when a corpse is found in those environmental conditions so that when estimating the time of death, we are not misled by the long persistence of rigor mortis.

Rigorous derivation of porous-media phase-field equations

Science.gov (United States)

Schmuck, Markus; Kalliadasis, Serafim

2017-11-01

The evolution of interfaces in Complex heterogeneous Multiphase Systems (CheMSs) plays a fundamental role in a wide range of scientific fields such as thermodynamic modelling of phase transitions, materials science, or as a computational tool for interfacial flow studies or material design. Here, we focus on phase-field equations in CheMSs such as porous media. To the best of our knowledge, we present the first rigorous derivation of error estimates for fourth order, upscaled, and nonlinear evolution equations. For CheMs with heterogeneity ɛ, we obtain the convergence rate ɛ 1 / 4 , which governs the error between the solution of the new upscaled formulation and the solution of the microscopic phase-field problem. This error behaviour has recently been validated computationally in. Due to the wide range of application of phase-field equations, we expect this upscaled formulation to allow for new modelling, analytic, and computational perspectives for interfacial transport and phase transformations in CheMSs. This work was supported by EPSRC, UK, through Grant Nos. EP/H034587/1, EP/L027186/1, EP/L025159/1, EP/L020564/1, EP/K008595/1, and EP/P011713/1 and from ERC via Advanced Grant No. 247031.

First-principles calculations of the thermodynamic properties of transuranium elements in a molten salt medium

International Nuclear Information System (INIS)

Noh, Seunghyo; Kwak, Dohyun; Lee, Juseung; Kang, Joonhee; Han, Byungchan

2014-01-01

We utilized first-principles density-functional-theory (DFT) calculations to evaluate the thermodynamic feasibility of a pyroprocessing methodology for reducing the volume of high-level radioactive materials and recycling spent nuclear fuels. The thermodynamic properties of transuranium elements (Pu, Np and Cm) were obtained in electrochemical equilibrium with a LiCl-KCl molten salt as ionic phases and as adsorbates on a W(110) surface. To accomplish the goal, we rigorously calculated the double layer interface structures on an atomic resolution, on the thermodynamically most stable configurations on W(110) surfaces and the chemical activities of the transuranium elements for various coverages of those elements. Our results indicated that the electrodeposition process was very sensitive to the atomic level structures of Cl ions at the double-layer interface. Our studies are easily expandable to general electrochemical applications involving strong redox reactions of transition metals in non-aqueous solutions.

Minimization of the LCA impact of thermodynamic cycles using a combined simulation-optimization approach

International Nuclear Information System (INIS)

Brunet, Robert; Cortés, Daniel; Guillén-Gosálbez, Gonzalo; Jiménez, Laureano; Boer, Dieter

2012-01-01

This work presents a computational approach for the simultaneous minimization of the total cost and environmental impact of thermodynamic cycles. Our method combines process simulation, multi-objective optimization and life cycle assessment (LCA) within a unified framework that identifies in a systematic manner optimal design and operating conditions according to several economic and LCA impacts. Our approach takes advantages of the complementary strengths of process simulation (in which mass, energy balances and thermodynamic calculations are implemented in an easy manner) and rigorous deterministic optimization tools. We demonstrate the capabilities of this strategy by means of two case studies in which we address the design of a 10 MW Rankine cycle modeled in Aspen Hysys, and a 90 kW ammonia-water absorption cooling cycle implemented in Aspen Plus. Numerical results show that it is possible to achieve environmental and cost savings using our rigorous approach. - Highlights: ► Novel framework for the optimal design of thermdoynamic cycles. ► Combined use of simulation and optimization tools. ► Optimal design and operating conditions according to several economic and LCA impacts. ► Design of a 10MW Rankine cycle in Aspen Hysys, and a 90kW absorption cycle in Aspen Plus.

Minimization of the LCA impact of thermodynamic cycles using a combined simulation-optimization approach

Energy Technology Data Exchange (ETDEWEB)

Brunet, Robert; Cortes, Daniel [Departament d' Enginyeria Quimica, Escola Tecnica Superior d' Enginyeria Quimica, Universitat Rovira i Virgili, Campus Sescelades, Avinguda Paisos Catalans 26, 43007 Tarragona (Spain); Guillen-Gosalbez, Gonzalo [Departament d' Enginyeria Quimica, Escola Tecnica Superior d' Enginyeria Quimica, Universitat Rovira i Virgili, Campus Sescelades, Avinguda Paisos Catalans 26, 43007 Tarragona (Spain); Jimenez, Laureano [Departament d' Enginyeria Quimica, Escola Tecnica Superior d' Enginyeria Quimica, Universitat Rovira i Virgili, Campus Sescelades, Avinguda Paisos Catalans 26, 43007 Tarragona (Spain); Boer, Dieter [Departament d' Enginyeria Mecanica, Escola Tecnica Superior d' Enginyeria, Universitat Rovira i Virgili, Campus Sescelades, Avinguda Paisos Catalans 26, 43007, Tarragona (Spain)

2012-12-15

This work presents a computational approach for the simultaneous minimization of the total cost and environmental impact of thermodynamic cycles. Our method combines process simulation, multi-objective optimization and life cycle assessment (LCA) within a unified framework that identifies in a systematic manner optimal design and operating conditions according to several economic and LCA impacts. Our approach takes advantages of the complementary strengths of process simulation (in which mass, energy balances and thermodynamic calculations are implemented in an easy manner) and rigorous deterministic optimization tools. We demonstrate the capabilities of this strategy by means of two case studies in which we address the design of a 10 MW Rankine cycle modeled in Aspen Hysys, and a 90 kW ammonia-water absorption cooling cycle implemented in Aspen Plus. Numerical results show that it is possible to achieve environmental and cost savings using our rigorous approach. - Highlights: Black-Right-Pointing-Pointer Novel framework for the optimal design of thermdoynamic cycles. Black-Right-Pointing-Pointer Combined use of simulation and optimization tools. Black-Right-Pointing-Pointer Optimal design and operating conditions according to several economic and LCA impacts. Black-Right-Pointing-Pointer Design of a 10MW Rankine cycle in Aspen Hysys, and a 90kW absorption cycle in Aspen Plus.

Thermodynamic analysis of tar reforming through auto-thermal reforming process

Energy Technology Data Exchange (ETDEWEB)

Nurhadi, N., E-mail: nurhadi@tekmira.esdm.go.id; Diniyati, Dahlia; Efendi, M. Ade Andriansyah [R& D Centre for Mineral and Coal Technology, Jln. Jend.Sudirman no. 623, Bandung. Telp. 022-6030483 (Malaysia); Istadi, I. [Department of Chemical Engineering, Diponegoro University, Jln. Jl. Prof. Soedarto, SH, Semarang (Malaysia)

2015-12-29

Fixed bed gasification is a simple and suitable technology for small scale power generation. One of the disadvantages of this technology is producing tar. So far, tar is not utilized yet and being waste that should be treated into a more useful product. This paper presents a thermodynamic analysis of tar conversion into gas producer through non-catalytic auto-thermal reforming technology. Tar was converted into components, C, H, O, N and S, and then reacted with oxidant such as mixture of air or pure oxygen. Thus, this reaction occurred auto-thermally and reached chemical equilibrium. The sensitivity analysis resulted that the most promising process performance occurred at flow rate of air was reached 43% of stoichiometry while temperature of process is 1100°C, the addition of pure oxygen is 40% and preheating of oxidant flow is 250°C. The yield of the most promising process performance between 11.15-11.17 kmol/h and cold gas efficiency was between 73.8-73.9%.The results of this study indicated that thermodynamically the conversion of tar into producer gas through non-catalytic auto-thermal reformingis more promising.

Thermodynamic model and parametric analysis of a tubular SOFC module

Science.gov (United States)

Campanari, Stefano

Solid oxide fuel cells (SOFCs) have been considered in the last years as one of the most promising technologies for very high-efficiency electric energy generation from natural gas, both with simple fuel cell plants and with integrated gas turbine-fuel cell systems. Among the SOFC technologies, tubular SOFC stacks with internal reforming have emerged as one of the most mature technology, with a serious potential for a future commercialization. In this paper, a thermodynamic model of a tubular SOFC stack, with natural gas feeding, internal reforming of hydrocarbons and internal air preheating is proposed. In the first section of the paper, the model is discussed in detail, analyzing its calculating equations and tracing its logical steps; the model is then calibrated on the available data for a recently demonstrated tubular SOFC prototype plant. In the second section of the paper, it is carried out a detailed parametric analysis of the stack working conditions, as a function of the main operating parameters. The discussion of the results of the thermodynamic and parametric analysis yields interesting considerations about partial load SOFC operation and load regulation, and about system design and integration with gas turbine cycles.

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

International Nuclear Information System (INIS)

Philipse, A; Vrij, A

2011-01-01

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

Putative regulatory sites unraveled by network-embedded thermodynamic analysis of metabolome data

NARCIS (Netherlands)

Kümmel, Anne; Panke, Sven; Heinemann, Matthias

2006-01-01

As one of the most recent members of the omics family, large-scale quantitative metabolomics data are currently complementing our systems biology data pool and offer the chance to integrate the metabolite level into the functional analysis of cellular networks. Network-embedded thermodynamic

Thermodynamic analysis of a pulse tube engine

International Nuclear Information System (INIS)

Moldenhauer, Stefan; Thess, André; Holtmann, Christoph; Fernández-Aballí, Carlos

2013-01-01

Highlights: ► Numerical model of the pulse tube engine process. ► Proof that the heat transfer in the pulse tube is out of phase with the gas velocity. ► Proof that a free piston operation is possible. ► Clarifying the thermodynamic working principle of the pulse tube engine. ► Studying the influence of design parameters on the engine performance. - Abstract: The pulse tube engine is an innovative simple heat engine based on the pulse tube process used in cryogenic cooling applications. The working principle involves the conversion of applied heat energy into mechanical power, thereby enabling it to be used for electrical power generation. Furthermore, this device offers an opportunity for its wide use in energy harvesting and waste heat recovery. A numerical model has been developed to study the thermodynamic cycle and thereby help to design an experimental engine. Using the object-oriented modeling language Modelica, the engine was divided into components on which the conservation equations for mass, momentum and energy were applied. These components were linked via exchanged mass and enthalpy. The resulting differential equations for the thermodynamic properties were integrated numerically. The model was validated using the measured performance of a pulse tube engine. The transient behavior of the pulse tube engine’s underlying thermodynamic properties could be evaluated and studied under different operating conditions. The model was used to explore the pulse tube engine process and investigate the influence of design parameters.

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

Science.gov (United States)

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

2018-04-01

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

"Rigor mortis" in a live patient.

Science.gov (United States)

Chakravarthy, Murali

2010-03-01

Rigor mortis is conventionally a postmortem change. Its occurrence suggests that death has occurred at least a few hours ago. The authors report a case of "Rigor Mortis" in a live patient after cardiac surgery. The likely factors that may have predisposed such premortem muscle stiffening in the reported patient are, intense low cardiac output status, use of unusually high dose of inotropic and vasopressor agents and likely sepsis. Such an event may be of importance while determining the time of death in individuals such as described in the report. It may also suggest requirement of careful examination of patients with muscle stiffening prior to declaration of death. This report is being published to point out the likely controversies that might arise out of muscle stiffening, which should not always be termed rigor mortis and/ or postmortem.

Classroom Talk for Rigorous Reading Comprehension Instruction

Science.gov (United States)

Wolf, Mikyung Kim; Crosson, Amy C.; Resnick, Lauren B.

2004-01-01

This study examined the quality of classroom talk and its relation to academic rigor in reading-comprehension lessons. Additionally, the study aimed to characterize effective questions to support rigorous reading comprehension lessons. The data for this study included 21 reading-comprehension lessons in several elementary and middle schools from…

Thermodynamic analysis of onset characteristics in a miniature thermoacoustic Stirling engine

Science.gov (United States)

Huang, Xin; Zhou, Gang; Li, Qing

2013-06-01

This paper analyzes the onset characteristics of a miniature thermoacoustic Stirling heat engine using the thermodynamic analysis method. The governing equations of components are reduced from the basic thermodynamic relations and the linear thermoacoustic theory. By solving the governing equation group numerically, the oscillation frequencies and onset temperatures are obtained. The dependences of the kinds of working gas, the length of resonator tube, the diameter of resonator tube, on the oscillation frequency are calculated. Meanwhile, the influences of hydraulic radius and mean pressure on the onset temperature for different working gas are also presented. The calculation results indicate that there exists an optimal dimensionless hydraulic radius to obtain the lowest onset temperature, whose value lies in the range of 0.30-0.35 for different working gases. Furthermore, the amplitude and phase relationship of pressures and volume flows are analyzed in the time-domain. Some experiments have been performed to validate the calculations. The calculation results agree well with the experimental values. Finally, an error analysis is made, giving the reasons that cause the errors of theoretical calculations.

Network thermodynamic approach compartmental analysis. Na+ transients in frog skin.

Science.gov (United States)

Mikulecky, D C; Huf, E G; Thomas, S R

1979-01-01

We introduce a general network thermodynamic method for compartmental analysis which uses a compartmental model of sodium flows through frog skin as an illustrative example (Huf and Howell, 1974a). We use network thermodynamics (Mikulecky et al., 1977b) to formulate the problem, and a circuit simulation program (ASTEC 2, SPICE2, or PCAP) for computation. In this way, the compartment concentrations and net fluxes between compartments are readily obtained for a set of experimental conditions involving a square-wave pulse of labeled sodium at the outer surface of the skin. Qualitative features of the influx at the outer surface correlate very well with those observed for the short circuit current under another similar set of conditions by Morel and LeBlanc (1975). In related work, the compartmental model is used as a basis for simulation of the short circuit current and sodium flows simultaneously using a two-port network (Mikulecky et al., 1977a, and Mikulecky et al., A network thermodynamic model for short circuit current transients in frog skin. Manuscript in preparation; Gary-Bobo et al., 1978). The network approach lends itself to computation of classic compartmental problems in a simple manner using circuit simulation programs (Chua and Lin, 1975), and it further extends the compartmental models to more complicated situations involving coupled flows and non-linearities such as concentration dependencies, chemical reaction kinetics, etc.

Thermodynamic analysis of advanced fuels for fast breeder reactors

International Nuclear Information System (INIS)

Srivastava, D.; Garg, S.P.; Goswami, G.L.

1990-01-01

Six phase fields of interest in the M-C-N system (M= mixed U/Pu) with oxygen as impurity are i) U 1-x3 Pu x3 (=M)+ U 1-x1 Pu x1 C 1-y-z N y O z (= MCN O), ii)C+ U 1 x2 Pu x2 Csub(1.5) (=MCsub(1.5)), iii) MCsub(1.5) + MCNO, iv) C+MCNO, v) UN (1.5) + MCNO and vi) C + UNsub(1.5) + MCNO. In the present work a detailed thermodynamic analysis has been carried out for all the six phase fields existing in the system with x 1 , 1-y-z and y are varying from 0.0 to 1.0 and z as impurity from 0.0 to 0.15 at temperature between 1500K to 2000K. In the first part, composition of the phases in the different phase fields have been calculated as a function of overall composition of the fuel and temperature. In the second part, thermodynamic properties such as partial pressures of N 2 (g), O 2 (g), CO(g), Pu(g), U(g), PuO(g), UO(g), UC 2 (g) and PuC 2 (g) species and carbon potential of the fuel have been calculated as a function of compositions x 1 , y and z at different temperatures. Results obtained are discus sed in detail and compared with the reported measured data. Hitherto, thermodynamic properties for all the phase fields of M-C-N-O system have not been reported. (a uthor). 54 tabs., 13 figs., 24 refs

Thermodynamics of complexity

DEFF Research Database (Denmark)

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

1998-01-01

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

Thermodynamic analysis of salt corrosion of titanium alloys

International Nuclear Information System (INIS)

Travkin, V.V.; Pshirkov, V.F.; Kolachev, B.A.

1979-01-01

About 200 possible chemical reactions of metals, salts and oxides (in a solid state) with water (in a vapour state), and with gases (O 2 , Cl 2 , HCl) were studied by the thermodynamic analysis to elucidate a chemical nature of processes taking place at salt corrosion of titanium alloys (VT22, VT6 and VT16). Temperature dependences of isobaric-isothermic potential were considered to reveal a possibility of spontaneous course and direction of reactions as well as to obtain a comparative estimate of the probability of their pro-cedure. Thermodynamically possible schemes of the chemism of titanium alloy salt corrosion are proposed. Complex che-mical reactions take place in the presence of salt, moisture and oxygen of air on the surface of the alloys. The reactions proceed with the formation of titanium and alloying component chlorides, free chlorine and hydrogen. The free chlorine or HCl are released during pyrohydrolysis and oxidation of chlo-rides. The former ones interact with the alloy with the formation of salts, and hydrogen may be absorbed by the metal and cause embrittlement. Chlorides on the metal surface accelerate the chlorination process. NaCl acts as a cata-lyst. The determination of salt corrosion products has confirmed the process mechanism proposed

Thermodynamic and multifractal formalism and the Bowen-series map

International Nuclear Information System (INIS)

Rudolph, O.

1995-01-01

In the theory of quantum chaos one studies the semiclassical behaviour of quantum mechanical systems whose corresponding classical counterparts exhibit chaos. The geodesic motion of a free classical particle on closed Riemann surfaces with constant negative curvature is strongly chaotic. Selberg's theory relates the classical and the quantum mechanical systems. These systems are sometimes considered as model systems in the theory of quantum chaos since they are well understood from a mathematical point of view. In this work we study the multifractal formalism for the geodesic flow on surfaces with constant negative curvature. The multifractal analysis of measures has been developed in order to characterize the scaling behaviour of measures on attractors of classical chaotic dynamical systems globally. In order to relate the multifractal formalism with quantities usually considered in the study of the geodesic flow on Riemann surfaces with constant negative curvature, it is necessary to establish the assertions of the multifractal formalism in a mathematically rigorous way. This is achieved with the help of the thermodynamic formalism for hyperbolic dynamical systems developed by Ruelle, Bowen and others. (orig.)

Jarzynski equality: connections to thermodynamics and the second law.

Science.gov (United States)

Palmieri, Benoit; Ronis, David

2007-01-01

The one-dimensional expanding ideal gas model is used to compute the exact nonequilibrium distribution function. The state of the system during the expansion is defined in terms of local thermodynamics quantities. The final equilibrium free energy, obtained a long time after the expansion, is compared against the free energy that appears in the Jarzynski equality. Within this model, where the Jarzynski equality holds rigorously, the free energy change that appears in the equality does not equal the actual free energy change of the system at any time of the process. More generally, the work bound that is obtained from the Jarzynski equality is an upper bound to the upper bound that is obtained from the first and second laws of thermodynamics. The cancellation of the dissipative (nonequilibrium) terms that result in the Jarzynski equality is shown in the framework of response theory. This is used to show that the intuitive assumption that the Jarzynski work bound becomes equal to the average work done when the system evolves quasistatically is incorrect under some conditions.

Irreversible thermodynamic analysis and application for molecular heat engines

Science.gov (United States)

Lucia, Umberto; Açıkkalp, Emin

2017-09-01

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

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.

Experimental evaluation of rigor mortis. III. Comparative study of the evolution of rigor mortis in different sized muscle groups in rats.

Science.gov (United States)

Krompecher, T; Fryc, O

1978-01-01

The use of new methods and an appropriate apparatus has allowed us to make successive measurements of rigor mortis and a study of its evolution in the rat. By a comparative examination on the front and hind limbs, we have determined the following: (1) The muscular mass of the hind limbs is 2.89 times greater than that of the front limbs. (2) In the initial phase rigor mortis is more pronounced in the front limbs. (3) The front and hind limbs reach maximum rigor mortis at the same time and this state is maintained for 2 hours. (4) Resolution of rigor mortis is accelerated in the front limbs during the initial phase, but both front and hind limbs reach complete resolution at the same time.

Thermodynamic and Probabilistic Metabolic Control Analysis of Riboflavin (Vitamin B₂) Biosynthesis in Bacteria.

Science.gov (United States)

Birkenmeier, Markus; Mack, Matthias; Röder, Thorsten

2015-10-01

In this study, we applied a coupled in silico thermodynamic and probabilistic metabolic control analysis methodology to investigate the control mechanisms of the commercially relevant riboflavin biosynthetic pathway in bacteria. Under the investigated steady-state conditions, we found that several enzyme reactions of the pathway operate far from thermodynamic equilibrium (transformed Gibbs energies of reaction below about -17 kJ mol(-1)). Using the obtained thermodynamic information and applying enzyme elasticity sampling, we calculated the distributions of the scaled concentration control coefficients (CCCs) and scaled flux control coefficients (FCCs). From the statistical analysis of the calculated distributions, we inferred that the control over the riboflavin producing flux is shared among several enzyme activities and mostly resides in the initial reactions of the pathway. More precisely, the guanosine triphosphate (GTP) cyclohydrolase II activity, and therefore the bifunctional RibA protein of Bacillus subtilis because it catalyzes this activity, appears to mainly control the riboflavin producing flux (mean FCCs = 0.45 and 0.55, respectively). The GTP cyclohydrolase II activity and RibA also exert a high positive control over the riboflavin concentration (mean CCCs = 2.43 and 2.91, respectively). This prediction is consistent with previous findings for microbial riboflavin overproducing strains.

Stochastic thermodynamics

Science.gov (United States)

Eichhorn, Ralf; Aurell, Erik

2014-04-01

theory for small deviations from equilibrium, in which a general framework is constructed from the analysis of non-equilibrium states close to equilibrium. In a next step, Prigogine and others developed linear irreversible thermodynamics, which establishes relations between transport coefficients and entropy production on a phenomenological level in terms of thermodynamic forces and fluxes. However, beyond the realm of linear response no general theoretical results were available for quite a long time. This situation has changed drastically over the last 20 years with the development of stochastic thermodynamics, revealing that the range of validity of thermodynamic statements can indeed be extended deep into the non-equilibrium regime. Early developments in that direction trace back to the observations of symmetry relations between the probabilities for entropy production and entropy annihilation in non-equilibrium steady states [5-8] (nowadays categorized in the class of so-called detailed fluctuation theorems), and the derivations of the Bochkov-Kuzovlev [9, 10] and Jarzynski relations [11] (which are now classified as so-called integral fluctuation theorems). Apart from its fundamental theoretical interest, the developments in stochastic thermodynamics have experienced an additional boost from the recent experimental progress in fabricating, manipulating, controlling and observing systems on the micro- and nano-scale. These advances are not only of formidable use for probing and monitoring biological processes on the cellular, sub-cellular and molecular level, but even include the realization of a microscopic thermodynamic heat engine [12] or the experimental verification of Landauer's principle in a colloidal system [13]. The scientific program Stochastic Thermodynamics held between 4 and 15 March 2013, and hosted by The Nordic Institute for Theoretical Physics (Nordita), was attended by more than 50 scientists from the Nordic countries and elsewhere, amongst them

[Experimental study of restiffening of the rigor mortis].

Science.gov (United States)

Wang, X; Li, M; Liao, Z G; Yi, X F; Peng, X M

2001-11-01

To observe changes of the length of sarcomere of rat when restiffening. We measured the length of sarcomere of quadriceps in 40 rats in different condition by scanning electron microscope. The length of sarcomere of rigor mortis without destroy is obviously shorter than that of restiffening. The length of sarcomere is negatively correlative to the intensity of rigor mortis. Measuring the length of sarcomere can determine the intensity of rigor mortis and provide evidence for estimation of time since death.

[Rigor mortis -- a definite sign of death?].

Science.gov (United States)

Heller, A R; Müller, M P; Frank, M D; Dressler, J

2005-04-01

In the past years an ongoing controversial debate exists in Germany, regarding quality of the coroner's inquest and declaration of death by physicians. We report the case of a 90-year old female, who was found after an unknown time following a suicide attempt with benzodiazepine. The examination of the patient showed livores (mortis?) on the left forearm and left lower leg. Moreover, rigor (mortis?) of the left arm was apparent which prevented arm flexion and extension. The hypothermic patient with insufficient respiration was intubated and mechanically ventilated. Chest compressions were not performed, because central pulses were (hardly) palpable and a sinus bradycardia 45/min (AV-block 2 degrees and sole premature ventricular complexes) was present. After placement of an intravenous line (17 G, external jugular vein) the hemodynamic situation was stabilized with intermittent boli of epinephrine and with sodium bicarbonate. With improved circulation livores and rigor disappeared. In the present case a minimal central circulation was noted, which could be stabilized, despite the presence of certain signs of death ( livores and rigor mortis). Considering the finding of an abrogated peripheral perfusion (livores), we postulate a centripetal collapse of glycogen and ATP supply in the patients left arm (rigor), which was restored after resuscitation and reperfusion. Thus, it appears that livores and rigor are not sensitive enough to exclude a vita minima, in particular in hypothermic patients with intoxications. Consequently a careful ABC-check should be performed even in the presence of apparently certain signs of death, to avoid underdiagnosing a vita minima. Additional ECG- monitoring is required to reduce the rate of false positive declarations of death. To what extent basic life support by paramedics should commence when rigor and livores are present until physician DNR order, deserves further discussion.

A strategy for the economic optimization of combined cycle gas turbine power plants by taking advantage of useful thermodynamic relationships

International Nuclear Information System (INIS)

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

2011-01-01

Optimal combined cycle gas turbine power plants characterized by minimum specific annual cost values are here determined for wide ranges of market conditions as given by the relative weights of capital investment and operative costs, by means of a non-linear mathematical programming model. On the other hand, as the technical optimization allows identifying trends in the system behavior and unveiling optimization opportunities, selected functional relationships are obtained as the thermodynamic optimal values of the decision variables are systematically linked to the ratio between the total heat transfer area and the net power production (here named as specific transfer area). A strategy for simplifying the resolution of the rigorous economic optimization problem of power plants is proposed based on the economic optima distinctive characteristics which describe the behavior of the decision variables of the power plant on its optima. Such approach results in a novel mathematical formulation shaped as a system of non-linear equations and additional constraints that is able to easily provide accurate estimations of the optimal values of the power plant design and operative variables. Research highlights: → We achieve relationships between power plants' economic and thermodynamic optima. → We achieve functionalities among thermodynamic optimal values of decision variables. → The rigorous optimization problem is reduced to a non-linear equations system. → Accurate estimations of power plants' design and operative variables are obtained.

Identifying functional thermodynamics in autonomous Maxwellian ratchets

Science.gov (United States)

Boyd, Alexander B.; Mandal, Dibyendu; Crutchfield, James P.

2016-02-01

We introduce a family of Maxwellian Demons for which correlations among information bearing degrees of freedom can be calculated exactly and in compact analytical form. This allows one to precisely determine Demon functional thermodynamic operating regimes, when previous methods either misclassify or simply fail due to approximations they invoke. This reveals that these Demons are more functional than previous candidates. They too behave either as engines, lifting a mass against gravity by extracting energy from a single heat reservoir, or as Landauer erasers, consuming external work to remove information from a sequence of binary symbols by decreasing their individual uncertainty. Going beyond these, our Demon exhibits a new functionality that erases bits not by simply decreasing individual-symbol uncertainty, but by increasing inter-bit correlations (that is, by adding temporal order) while increasing single-symbol uncertainty. In all cases, but especially in the new erasure regime, exactly accounting for informational correlations leads to tight bounds on Demon performance, expressed as a refined Second Law of thermodynamics that relies on the Kolmogorov-Sinai entropy for dynamical processes and not on changes purely in system configurational entropy, as previously employed. We rigorously derive the refined Second Law under minimal assumptions and so it applies quite broadly—for Demons with and without memory and input sequences that are correlated or not. We note that general Maxwellian Demons readily violate previously proposed, alternative such bounds, while the current bound still holds. As such, it broadly describes the minimal energetic cost of any computation by a thermodynamic system.

Thermodynamic performance analysis of ramjet engine at wide working conditions

Science.gov (United States)

Ou, Min; Yan, Li; Tang, Jing-feng; Huang, Wei; Chen, Xiao-qian

2017-03-01

Although ramjet has the advantages of high-speed flying and higher specific impulse, the performance parameters will decline seriously with the increase of flight Mach number and flight height. Therefore, the investigation on the thermodynamic performance of ramjet is very crucial for broadening the working range. In the current study, a typical ramjet model has been employed to investigate the performance characteristics at wide working conditions. First of all, the compression characteristic analysis is carried out based on the Brayton cycle. The obtained results show that the specific cross-section area (A2 and A5) and the air-fuel ratio (f) have a great influence on the ramjet performance indexes. Secondly, the thermodynamic calculation process of ramjet is given from the view of the pneumatic thermal analysis. Then, the variable trends of the ramjet performance indexes with the flow conditions, the air-fuel ratio (f), the specific cross-sectional area (A2 and A5) under the fixed operating condition, equipotential dynamic pressure condition and variable dynamic pressure condition have been discussed. Finally, the optimum value of the specific cross-sectional area (A5) and the air-fuel ratio (f) of the ramjet model at a fixed work condition (Ma=3.5, H=12 km) are obtained.

A plea for rigorous conceptual analysis as central method in transnational law design

NARCIS (Netherlands)

Rijgersberg, R.; van der Kaaij, H.

2013-01-01

Although shared problems are generally easily identified in transnational law design, it is considerably more difficult to design frameworks that transcend the peculiarities of local law in a univocal fashion. The following exposition is a plea for giving more prominence to rigorous conceptual

Fe-solubility of Ni7S6 and Ni9S8: Thermodynamic analysis

International Nuclear Information System (INIS)

Waldner, P.

2011-01-01

Experimental data on phase equilibria have been used for thermodynamic analysis of the iron solubility of the nickel sulfides Ni 7 S 6 and Ni 9 S 8 . For both compounds, a two-sublattice approach within the framework of the compound energy formalism has been applied to perform Gibbs free energy modelling at 0.1 MPa total pressure consistently embedded in recent thermodynamic assessment studies of other iron-nickel-sulfides. The predicted maxima of iron solubility around 3 at% of Ni 7 S 6 and 5.5 at% of Ni 9 S 8 are confirmed by experimental data. The calculations of complex ternary phase relations with Fe-bearing Ni 7 S 6 and Ni 9 S 8 gain further improvement. The first internally consistent description of all thermodynamically stable phases known in the literature for the iron-nickel-sulfur system is completed.

Exergetical analysis of combustion, heat transfers, thermodynamical cycles and their applications

International Nuclear Information System (INIS)

Buchet, E.

1983-11-01

Exergetic analysis allowed to show up and evaluate irreversibilities in combustion, vapor exchanges and thermodynamic cycles, and also to justify processes often used to improve yields of thermal and energetic plants, and among them some more and more complex in cogeneration plants. This analysic method has been applied to thermal or nuclear steam power plant, to gas turbines and to cogeneration [fr

Thermal modeling of a hydraulic hybrid vehicle transmission based on thermodynamic analysis

International Nuclear Information System (INIS)

Kwon, Hyukjoon; Sprengel, Michael; Ivantysynova, Monika

2016-01-01

Hybrid vehicles have become a popular alternative to conventional powertrain architectures by offering improved fuel efficiency along with a range of environmental benefits. Hydraulic Hybrid Vehicles (HHV) offer one approach to hybridization with many benefits over competing technologies. Among these benefits are lower component costs, more environmentally friendly construction materials, and the ability to recover a greater quantity of energy during regenerative braking which make HHVs partially well suited to urban environments. In order to further the knowledge base regarding HHVs, this paper explores the thermodynamic characteristics of such a system. A system model is detailed for both the hydraulic and thermal components of a closed circuit hydraulic hybrid transmission following the FTP-72 driving cycle. Among the new techniques proposed in this paper is a novel method for capturing rapid thermal transients. This paper concludes by comparing the results of this model with experimental data gathered on a Hardware-in-the-Loop (HIL) transmission dynamometer possessing the same architecture, components, and driving cycle used within the simulation model. This approach can be used for several applications such as thermal stability analysis of HHVs, optimal thermal management, and analysis of the system's thermodynamic efficiency. - Highlights: • Thermal modeling for HHVs is introduced. • A model for the hydraulic and thermal system is developed for HHVs. • A novel method for capturing rapid thermal transients is proposed. • The thermodynamic system diagram of a series HHV is predicted.

Thermodynamic analysis of dust sulphation reactions

Energy Technology Data Exchange (ETDEWEB)

Yang Yongxiang; Jokilaakso, A.

1997-12-31

Sulphation reactions of metal oxides with SO{sub 2} and O. or SO{sub 3} play significant roles in sulphation roasting of sulphide and oxide minerals as well as in desulphurisation process of combustion gases. In metallurgical waste-heat boilers for sulphide smelting, the sulphation of the oxidic flue dust in the atmosphere containing sulphur oxides is an unavoidable process, and the sulphation reactions have to be guided in a controlled way in the proper parts of the gas handling equipment. In this report, some thermodynamic analyses were conducted for the oxide sulphation reactions in relation to sulphide smelting processes. The phase stability of Me-S-O systems especially for oxides - sulphates equilibrium was studied under different thermodynamic conditions of gas compositions and temperatures. The sulphate stability was analysed for an example of gas compositions in the copper flash smelter of Outokumpu Harjavalta Metals Oy, in relation to temperature. In the report, most of the information was from literature. Moreover, a number of thermodynamic computations were carried out with the HSC program, and the constructed phase stability diagrams were compared with those from the literature whenever possible. The maximum temperatures for stable sulphates under normal operating conditions of the waste-heat boilers in sulphide smelting processes were obtained. This report will serve as the basis for the kinetic studies of the sulphation reactions and the sulphation reaction modelling in pyrometallurgical processes. (orig.) SULA 2 Programme. 36 refs.

Thermodynamic analysis of a minimum maintenance solar pump

Energy Technology Data Exchange (ETDEWEB)

Brew-Hammond, A.; Roullier, J.; Appeagyei-Kissi, D. (University of Science and Technology, Kumasi (Ghana))

1993-10-01

The Minimum Maintenance Solar Pump (MMSP) is a solar-thermal pumping system which operates on a diurnal cycle with solar heating and nocturnal cooling/suction. Several prototypes of the MMSP have been constructed in Ghana, Canada and France with varying degrees of success. A thermodynamic analysis of the MMSP has yielded an expression which is used with the aid of a micro-computer to predict the performance characteristics of the MMSP. The predictions compare favourably with available experimental results and indicate that it is imperative for temperatures well above 80[sup o]C to be obtained in the MMSP if pumping is to be achieved at heads of practical significance. (author)

Thermodynamic analysis and optimization of an irreversible Ericsson cryogenic refrigerator cycle

International Nuclear Information System (INIS)

Ahmadi, Mohammad Hossein; Ahmadi, Mohammad Ali

2015-01-01

Highlights: • Thermodynamic modeling of Ericsson refrigeration is performed. • The latter is achieved using NSGA algorithm and thermodynamic analysis. • Different decision makers are utilized to determine optimum values of outcomes. - Abstract: Optimum ecological and thermal performance assessments of an Ericsson cryogenic refrigerator system are investigated in different optimization settings. To evaluate this goal, ecological and thermal approaches are proposed for the Ericsson cryogenic refrigerator, and three objective functions (input power, coefficient of performance and ecological objective function) are gained for the suggested system. Throughout the current research, an evolutionary algorithm (EA) and thermodynamic analysis are employed to specify optimum values of the input power, coefficient of performance and ecological objective function of an Ericsson cryogenic refrigerator system. Four setups are assessed for optimization of the Ericsson cryogenic refrigerator. Throughout the three scenarios, a conventional single-objective optimization has been utilized distinctly with each objective function, nonetheless of other objectives. Throughout the last setting, input power, coefficient of performance and ecological function objectives are optimized concurrently employing a non-dominated sorting genetic algorithm (GA) named the non-dominated sorting genetic algorithm (NSGA-II). As in multi-objective optimization, an assortment of optimum results named the Pareto optimum frontiers are gained rather than a single ultimate optimum result gained via conventional single-objective optimization. Thus, a process of decision making has been utilized for choosing an ultimate optimum result. Well-known decision-makers have been performed to specify optimized outcomes from the Pareto optimum results in the space of objectives. The outcomes gained from aforementioned optimization setups are discussed and compared employing an index of deviation presented in this

Thermodynamical stability of the Bardeen black hole

Energy Technology Data Exchange (ETDEWEB)

Bretón, Nora [Dpto. de Física, Centro de Investigación y de Estudios Avanzados del I. P. N., Apdo. 14-740, D.F. (Mexico); Perez Bergliaffa, Santiago E. [Dpto. de Física, U. Estado do Rio de Janeiro (Brazil)

2014-01-14

We analyze the stability of the regular magnetic Bardeen black hole both thermodynamically and dynamically. For the thermodynamical analysis we consider a microcanonical ensemble and apply the turning point method. This method allows to decide a change in stability (or instability) of a system, requiring only the assumption of smoothness of the area functional. The dynamical stability is asserted using criteria based on the signs of the Lagrangian and its derivatives. It turns out from our analysis that the Bardeen black hole is both thermodynamically and dynamically stable.

Chloride corrosion in biomass-fired boilers – Fe-O-Cl system thermodynamic analysis

Directory of Open Access Journals (Sweden)

Kaczmarczyk Robert

2016-01-01

The paper presents a thermodynamic analysis of chloride-induced corrosion in the Fe-O-Cl system. The ranges of the metallic, oxide and chloride phase stability are determined within the temperature range T = 750-1000 K. Based on the parametric equations the equilibrium concentration of gaseous phase determined by Deacon reaction are presented. The effect of H2O concentration in the gaseous phase on high-temperature corrosion process and gaseous NaCl influence on NaFeO2 formation in the passive oxide scale layer (FeO/Fe3O4/Fe2O3 are discussed as well. The results are correlated with available in the literature laboratory experimental data and industrial corrosion process observations. Presented thermodynamic analysis is compared with assumptions of “active oxidation” model. The results may be used for experimental research prediction and a corrosion prevention in the industry.

Sustainable biocatalytic biodiesel production : A thermodynamic analysis

Energy Technology Data Exchange (ETDEWEB)

Guezel, G

2012-09-15

In the present thesis it was aimed at achieving thermodynamic analysis of reactions involved in enzymatic biodiesel production with specific focus on chemical and phase equilibria of reactive systems. Lipase-catalyzed biodiesel production (biocatalytic ethanolysis) presents significant advantages: Easy recovery of glycerol, no complex down-processing operations for elimination of catalyst and salt, and requires less organic solvent and lower energy consumption compared with conventional chemical methods. In overall, the major aims of this thesis were evaluating and subsequently finding feasible solutions to the questions emerged during the corresponding studies that have been performed worldwide. Some of the questions that were answered as appropriate as possible can be listed as follows: 1) What is the solubility of EtOH in vegetable oils and in FAEE blends and how does it change with temperature? 2) Is it possible to prevent denaturing impact of EtOH on biocatalysts? 3) What are the feedstock content (water and FFA) impacts on glycerol and EtOH miscibility with ester species? 4) Is it necessary removing glycerol by-product simultaneously? 5) Is it feasible providing monophasic or homogeneous reaction media that procure lower external mass transfer resistance? 6) What are the moisture absorption limits of FAAE species? 7) How are the interactions of reactive species in terms of miscibility/immiscibility phenomena? 8) Is it thermodynamically feasible providing monophasic reaction media? 9) How can LLE and VLE phase behaviors help to determine optimum reaction conditions? 10) How can the results of LLE and VLE studies be used so as to determine appropriate refining operations? (LN)

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

Comparative thermodynamic analysis of the Pb-Au0.7Sn0.3 section in the Pb-Au-Sn ternary system

International Nuclear Information System (INIS)

Trumic, B.; Zivkovic, D.; Zivkovic, Z.; Manasijevic, D.

2005-01-01

The results of comparative thermodynamic analysis of Pb-Au 0.7 Sn 0.3 section in Pb-Au-Sn system are presented in this paper. Investigation was done comparatively by calorimetric measurements and thermodynamic calculation according to the general solution model. Thermodynamic parameters, such as partial and integral molar quantities, were determined at different temperatures. The comparison between experimental and calculated results showed mutual agreement. Demixing tendency of lead, presented in the positive deviation from ideal behavior, was confirmed through the study of concentration fluctuation in the long-wavelength limit. Also, chosen alloys in the investigated section were characterized using SEM-EDX analysis

Thermodynamic cycle analysis for capacitive deionization

NARCIS (Netherlands)

Biesheuvel, P.M.

2009-01-01

Capacitive deionization (CDI) is an ion removal technology based on temporarily storing ions in the polarization layers of two oppositely positioned electrodes. Here we present a thermodynamic model for the minimum work required for ion separation in the fully reversible case by describing the ionic

Evaluating Rigor in Qualitative Methodology and Research Dissemination

Science.gov (United States)

Trainor, Audrey A.; Graue, Elizabeth

2014-01-01

Despite previous and successful attempts to outline general criteria for rigor, researchers in special education have debated the application of rigor criteria, the significance or importance of small n research, the purpose of interpretivist approaches, and the generalizability of qualitative empirical results. Adding to these complications, the…

Application of thermodynamics-based rate-dependent constitutive models of concrete in the seismic analysis of concrete dams

Directory of Open Access Journals (Sweden)

Leng Fei

2008-09-01

Full Text Available This paper discusses the seismic analysis of concrete dams with consideration of material nonlinearity. Based on a consistent rate-dependent model and two thermodynamics-based models, two thermodynamics-based rate-dependent constitutive models were developed with consideration of the influence of the strain rate. They can describe the dynamic behavior of concrete and be applied to nonlinear seismic analysis of concrete dams taking into account the rate sensitivity of concrete. With the two models, a nonlinear analysis of the seismic response of the Koyna Gravity Dam and the Dagangshan Arch Dam was conducted. The results were compared with those of a linear elastic model and two rate-independent thermodynamics-based constitutive models, and the influences of constitutive models and strain rate on the seismic response of concrete dams were discussed. It can be concluded from the analysis that, during seismic response, the tensile stress is the control stress in the design and seismic safety evaluation of concrete dams. In different models, the plastic strain and plastic strain rate of concrete dams show a similar distribution. When the influence of the strain rate is considered, the maximum plastic strain and plastic strain rate decrease.

Understanding Drug Release Data through Thermodynamic Analysis.

Science.gov (United States)

Freire, Marjorie Caroline Liberato Cavalcanti; Alexandrino, Francisco; Marcelino, Henrique Rodrigues; Picciani, Paulo Henrique de Souza; Silva, Kattya Gyselle de Holanda E; Genre, Julieta; Oliveira, Anselmo Gomes de; Egito, Eryvaldo Sócrates Tabosa do

2017-06-13

Understanding the factors that can modify the drug release profile of a drug from a Drug-Delivery-System (DDS) is a mandatory step to determine the effectiveness of new therapies. The aim of this study was to assess the Amphotericin-B (AmB) kinetic release profiles from polymeric systems with different compositions and geometries and to correlate these profiles with the thermodynamic parameters through mathematical modeling. Film casting and electrospinning techniques were used to compare behavior of films and fibers, respectively. Release profiles from the DDSs were performed, and the mathematical modeling of the data was carried out. Activation energy, enthalpy, entropy and Gibbs free energy of the drug release process were determined. AmB release profiles showed that the relationship to overcome the enthalpic barrier was PVA-fiber > PVA-film > PLA-fiber > PLA-film. Drug release kinetics from the fibers and the films were better fitted on the Peppas-Sahlin and Higuchi models, respectively. The thermodynamic parameters corroborate these findings, revealing that the AmB release from the evaluated systems was an endothermic and non-spontaneous process. Thermodynamic parameters can be used to explain the drug kinetic release profiles. Such an approach is of utmost importance for DDS containing insoluble compounds, such as AmB, which is associated with an erratic bioavailability.

Understanding Drug Release Data through Thermodynamic Analysis

Science.gov (United States)

Freire, Marjorie Caroline Liberato Cavalcanti; Alexandrino, Francisco; Marcelino, Henrique Rodrigues; Picciani, Paulo Henrique de Souza; Silva, Kattya Gyselle de Holanda e; Genre, Julieta; de Oliveira, Anselmo Gomes; do Egito, Eryvaldo Sócrates Tabosa

2017-01-01

Understanding the factors that can modify the drug release profile of a drug from a Drug-Delivery-System (DDS) is a mandatory step to determine the effectiveness of new therapies. The aim of this study was to assess the Amphotericin-B (AmB) kinetic release profiles from polymeric systems with different compositions and geometries and to correlate these profiles with the thermodynamic parameters through mathematical modeling. Film casting and electrospinning techniques were used to compare behavior of films and fibers, respectively. Release profiles from the DDSs were performed, and the mathematical modeling of the data was carried out. Activation energy, enthalpy, entropy and Gibbs free energy of the drug release process were determined. AmB release profiles showed that the relationship to overcome the enthalpic barrier was PVA-fiber > PVA-film > PLA-fiber > PLA-film. Drug release kinetics from the fibers and the films were better fitted on the Peppas–Sahlin and Higuchi models, respectively. The thermodynamic parameters corroborate these findings, revealing that the AmB release from the evaluated systems was an endothermic and non-spontaneous process. Thermodynamic parameters can be used to explain the drug kinetic release profiles. Such an approach is of utmost importance for DDS containing insoluble compounds, such as AmB, which is associated with an erratic bioavailability. PMID:28773009

Thermodynamic Activity-Based Progress Curve Analysis in Enzyme Kinetics.

Science.gov (United States)

Pleiss, Jürgen

2018-03-01

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

A Rigorous Methodology for Analyzing and Designing Plug-Ins

DEFF Research Database (Denmark)

Fasie, Marieta V.; Haxthausen, Anne Elisabeth; Kiniry, Joseph

2013-01-01

. This paper addresses these problems by describing a rigorous methodology for analyzing and designing plug-ins. The methodology is grounded in the Extended Business Object Notation (EBON) and covers informal analysis and design of features, GUI, actions, and scenarios, formal architecture design, including...... behavioral semantics, and validation. The methodology is illustrated via a case study whose focus is an Eclipse environment for the RAISE formal method's tool suite....

An ultramicroscopic study on rigor mortis.

Science.gov (United States)

Suzuki, T

1976-01-01

Gastrocnemius muscles taken from decapitated mice at various intervals after death and from mice killed by 2,4-dinitrophenol or mono-iodoacetic acid injection to induce rigor mortis soon after death, were observed by electron microscopy. The prominent appearance of many fine cross striations in the myofibrils (occurring about every 400 A) was considered to be characteristic of rigor mortis. These striations were caused by minute granules studded along the surfaces of both thick and thin filaments and appeared to be the bridges connecting the 2 kinds of filaments and accounted for the hardness and rigidity of the muscle.

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

CTserver: A Computational Thermodynamics Server for the Geoscience Community

Science.gov (United States)

Kress, V. C.; Ghiorso, M. S.

2006-12-01

The CTserver platform is an Internet-based computational resource that provides on-demand services in Computational Thermodynamics (CT) to a diverse geoscience user base. This NSF-supported resource can be accessed at ctserver.ofm-research.org. The CTserver infrastructure leverages a high-quality and rigorously tested software library of routines for computing equilibrium phase assemblages and for evaluating internally consistent thermodynamic properties of materials, e.g. mineral solid solutions and a variety of geological fluids, including magmas. Thermodynamic models are currently available for 167 phases. Recent additions include Duan, Møller and Weare's model for supercritical C-O-H-S, extended to include SO2 and S2 species, and an entirely new associated solution model for O-S-Fe-Ni sulfide liquids. This software library is accessed via the CORBA Internet protocol for client-server communication. CORBA provides a standardized, object-oriented, language and platform independent, fast, low-bandwidth interface to phase property modules running on the server cluster. Network transport, language translation and resource allocation are handled by the CORBA interface. Users access server functionality in two principal ways. Clients written as browser- based Java applets may be downloaded which provide specific functionality such as retrieval of thermodynamic properties of phases, computation of phase equilibria for systems of specified composition, or modeling the evolution of these systems along some particular reaction path. This level of user interaction requires minimal programming effort and is ideal for classroom use. A more universal and flexible mode of CTserver access involves making remote procedure calls from user programs directly to the server public interface. The CTserver infrastructure relieves the user of the burden of implementing and testing the often complex thermodynamic models of real liquids and solids. A pilot application of this distributed

A rigorous phenomenological analysis of the ππ scattering lengths

International Nuclear Information System (INIS)

Caprini, I.; Dita, P.; Sararu, M.

1979-11-01

The constraining power of the present experimental data, combined with the general theoretical knowledge about ππ scattering, upon the scattering lengths of this process, is investigated by means of a rigorous functional method. We take as input the experimental phase shifts and make no hypotheses about the high energy behaviour of the amplitudes, using only absolute bounds derived from axiomatic field theory and exact consequences of crossing symmetry. In the simplest application of the method, involving only the π 0 π 0 S-wave, we explored numerically a number of values proposed by various authors for the scattering lengths a 0 and a 2 and found that no one appears to be especially favoured. (author)

Tenderness of pre- and post rigor lamb longissimus muscle.

Science.gov (United States)

Geesink, Geert; Sujang, Sadi; Koohmaraie, Mohammad

2011-08-01

Lamb longissimus muscle (n=6) sections were cooked at different times post mortem (prerigor, at rigor, 1dayp.m., and 7 days p.m.) using two cooking methods. Using a boiling waterbath, samples were either cooked to a core temperature of 70 °C or boiled for 3h. The latter method was meant to reflect the traditional cooking method employed in countries where preparation of prerigor meat is practiced. The time postmortem at which the meat was prepared had a large effect on the tenderness (shear force) of the meat (PCooking prerigor and at rigor meat to 70 °C resulted in higher shear force values than their post rigor counterparts at 1 and 7 days p.m. (9.4 and 9.6 vs. 7.2 and 3.7 kg, respectively). The differences in tenderness between the treatment groups could be largely explained by a difference in contraction status of the meat after cooking and the effect of ageing on tenderness. Cooking pre and at rigor meat resulted in severe muscle contraction as evidenced by the differences in sarcomere length of the cooked samples. Mean sarcomere lengths in the pre and at rigor samples ranged from 1.05 to 1.20 μm. The mean sarcomere length in the post rigor samples was 1.44 μm. Cooking for 3 h at 100 °C did improve the tenderness of pre and at rigor prepared meat as compared to cooking to 70 °C, but not to the extent that ageing did. It is concluded that additional intervention methods are needed to improve the tenderness of prerigor cooked meat. Copyright © 2011 Elsevier B.V. All rights reserved.

Thermodynamic exergy analysis for small modular reactor in nuclear hybrid energy system

Directory of Open Access Journals (Sweden)

Boldon Lauren

2016-01-01

Full Text Available Small modular reactors (SMRs provide a unique opportunity for future nuclear development with reduced financial risks, allowing the United States to meet growing energy demands through safe, reliable, clean air electricity generation while reducing greenhouse gas emissions and the reliance on unstable fossil fuel prices. A nuclear power plant is comprised of several complex subsystems which utilize materials from other subsystems and their surroundings. The economic utility of resources, or thermoeconomics, is extremely difficult to analyze, particularly when trying to optimize resources and costs among individual subsystems and determine prices for products. Economics and thermodynamics cannot provide this information individually. Thermoeconomics, however, provides a method of coupling the quality of energy available based on exergy and the value of this available energy – “exergetic costs”. For an SMR exergy analysis, both the physical and economic environments must be considered. The physical environment incorporates the energy, raw materials, and reference environment, where the reference environment refers to natural resources available without limit and without cost, such as air input to a boiler. The economic environment includes market influences and prices in addition to installation, operation, and maintenance costs required for production to occur. The exergetic cost or the required exergy for production may be determined by analyzing the physical environment alone. However, to optimize the system economics, this environment must be coupled with the economic environment. A balance exists between enhancing systems to improve efficiency and optimizing costs. Prior research into SMR thermodynamics has not detailed methods on improving exergetic costs for an SMR coupled with storage technologies and renewable energy such as wind or solar in a hybrid energy system. This process requires balancing technological efficiencies and

Thermodynamic and kinetic analysis of heterogeneous photocatalysis for semiconductor systems.

Science.gov (United States)

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

2014-05-21

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

Thermodynamics of the CO2–Absorption/Desorption Section in the Integrated Gasifying Combined cycle — II. Analysis

Directory of Open Access Journals (Sweden)

Jaroslav KOZACZKA

2012-06-01

Full Text Available The thermodynamic analysis of the absorption/desorption section of the ICGC–cycle has been presented using the Second Law with special emphasis on the thermodynamic effectivity concept and usability for complex systems investigations. Essential problems have been discussed based on the classical bibliographical items on the subject. Numerical calculations have been accomplished using results obtained in the first part, which contained absorption and desorption modeling approach oriented onto thermodynamic analyzes. Additionally the special properties of dilute solutions, especially the CO2/water system, have been presented and the problem of the solute chemical concentration exergy change suggested.

Understanding Drug Release Data through Thermodynamic Analysis

Directory of Open Access Journals (Sweden)

Marjorie Caroline Liberato Cavalcanti Freire

2017-06-01

Full Text Available Understanding the factors that can modify the drug release profile of a drug from a Drug-Delivery-System (DDS is a mandatory step to determine the effectiveness of new therapies. The aim of this study was to assess the Amphotericin-B (AmB kinetic release profiles from polymeric systems with different compositions and geometries and to correlate these profiles with the thermodynamic parameters through mathematical modeling. Film casting and electrospinning techniques were used to compare behavior of films and fibers, respectively. Release profiles from the DDSs were performed, and the mathematical modeling of the data was carried out. Activation energy, enthalpy, entropy and Gibbs free energy of the drug release process were determined. AmB release profiles showed that the relationship to overcome the enthalpic barrier was PVA-fiber > PVA-film > PLA-fiber > PLA-film. Drug release kinetics from the fibers and the films were better fitted on the Peppas–Sahlin and Higuchi models, respectively. The thermodynamic parameters corroborate these findings, revealing that the AmB release from the evaluated systems was an endothermic and non-spontaneous process. Thermodynamic parameters can be used to explain the drug kinetic release profiles. Such an approach is of utmost importance for DDS containing insoluble compounds, such as AmB, which is associated with an erratic bioavailability.

Statistical thermodynamics

International Nuclear Information System (INIS)

Lim, Gyeong Hui

2008-03-01

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

Thermodynamic and Quantum Thermodynamic Analyses of Brownian Movement

OpenAIRE

Gyftopoulos, Elias P.

2006-01-01

Thermodynamic and quantum thermodynamic analyses of Brownian movement of a solvent and a colloid passing through neutral thermodynamic equilibrium states only. It is shown that Brownian motors and E. coli do not represent Brownian movement.

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 Analysis of Ionic Compounds: Synthetic Applications.

Science.gov (United States)

Yoder, Claude H.

1986-01-01

Shows how thermodynamic cycles can be used to understand trends in heats of formation and aqueous solubilities and, most importantly, how they may be used to choose synthetic routes to new ionic compounds. (JN)

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...

Thermodynamic analysis of Mg-doped p-type GaN semiconductor

International Nuclear Information System (INIS)

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

2006-01-01

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

Basic Thermodynamics

International Nuclear Information System (INIS)

Duthil, P

2014-01-01

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

Basic Thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Duthil, P [Orsay, IPN (France)

2014-07-01

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

Experimental thermodynamics experimental thermodynamics of non-reacting fluids

CERN Document Server

Neindre, B Le

2013-01-01

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

Mechanics, Waves and Thermodynamics

Science.gov (United States)

Ranjan Jain, Sudhir

2016-05-01

Figures; Preface; Acknowledgement; 1. Energy, mass, momentum; 2. Kinematics, Newton's laws of motion; 3. Circular motion; 4. The principle of least action; 5. Work and energy; 6. Mechanics of a system of particles; 7. Friction; 8. Impulse and collisions; 9. Central forces; 10. Dimensional analysis; 11. Oscillations; 12. Waves; 13. Sound of music; 14. Fluid mechanics; 15. Water waves; 16. The kinetic theory of gases; 17. Concepts and laws of thermodynamics; 18. Some applications of thermodynamics; 19. Basic ideas of statistical mechanics; Bibliography; Index.

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

Thermodynamic analysis of a beta-type Stirling engine with rhombic drive mechanism

International Nuclear Information System (INIS)

Aksoy, Fatih; Cinar, Can

2013-01-01

Highlights: • Thermodynamic analysis of Stirling engine with rhombic-drive mechanism was performed. • The analysis was performed for smooth and grooved displacer cylinders. • The convective heat transfer coefficient was predicted using the experimental results. • The experimental results was compared with the theoretical results. - Abstract: This paper presents a theoretical investigation on kinematic and thermodynamic analysis of a beta type Stirling engine with rhombic-drive mechanism. Variations in the hot and cold volumes of the engine were calculated using kinematic relations. Two different displacer cylinders were investigated: one of them had smooth inner surface and the other had axial slots grooved into the cylinder to increase the heat transfer area. The effects of the slots grooved into the displacer cylinder inner surface on the performance were calculated using nodal analysis in Fortran. The effects of working fluid mass on cyclic work were investigated using 200, 300 and 400 W/m 2 K convective heat transfer coefficients for smooth and grooved displacer cylinders. The variation of engine power with engine speed was obtained by using the same convective heat transfer coefficients and isothermal conditions. The convective heat transfer coefficient was predicted as 104 W/m 2 K using the experimental results measured from the prototype engine under atmospheric conditions. The variation in cyclic work determined by the experimental study was also compared with the theoretical results obtained for different convective heat transfer coefficients and isothermal conditions

Scientific rigor through videogames.

Science.gov (United States)

Treuille, Adrien; Das, Rhiju

2014-11-01

Hypothesis-driven experimentation - the scientific method - can be subverted by fraud, irreproducibility, and lack of rigorous predictive tests. A robust solution to these problems may be the 'massive open laboratory' model, recently embodied in the internet-scale videogame EteRNA. Deploying similar platforms throughout biology could enforce the scientific method more broadly. Copyright © 2014 Elsevier Ltd. All rights reserved.

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.

Unified geometric description of black hole thermodynamics

International Nuclear Information System (INIS)

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

2008-01-01

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

Emergency cricothyrotomy for trismus caused by instantaneous rigor in cardiac arrest patients.

Science.gov (United States)

Lee, Jae Hee; Jung, Koo Young

2012-07-01

Instantaneous rigor as muscle stiffening occurring in the moment of death (or cardiac arrest) can be confused with rigor mortis. If trismus is caused by instantaneous rigor, orotracheal intubation is impossible and a surgical airway should be secured. Here, we report 2 patients who had emergency cricothyrotomy for trismus caused by instantaneous rigor. This case report aims to help physicians understand instantaneous rigor and to emphasize the importance of securing a surgical airway quickly on the occurrence of trismus. Copyright © 2012 Elsevier Inc. All rights reserved.

Toward Synthetic Biology Strategies for Adipic Acid Production: An in Silico Tool for Combined Thermodynamics and Stoichiometric Analysis of Metabolic Networks

DEFF Research Database (Denmark)

Averesch, Nils J. H.; Martínez, Verónica S.; Nielsen, Lars K.

2018-01-01

Adipic acid, a nylon-6,6 precursor, has recently gained popularity in synthetic biology. Here, 16 different production routes to adipic acid were evaluated using a novel tool for network-embedded thermodynamic analysis of elementary flux modes. The tool distinguishes between thermodynamically...

Surface thermodynamics

International Nuclear Information System (INIS)

Garcia-Moliner, F.

1975-01-01

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

Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

Science.gov (United States)

Parker, Barry R.; McLeod, Robert J.

1980-01-01

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

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

Thermodynamic tables to accompany Modern engineering thermodynamics

CERN Document Server

Balmer, Robert T

2011-01-01

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

Rigor or mortis: best practices for preclinical research in neuroscience.

Science.gov (United States)

Steward, Oswald; Balice-Gordon, Rita

2014-11-05

Numerous recent reports document a lack of reproducibility of preclinical studies, raising concerns about potential lack of rigor. Examples of lack of rigor have been extensively documented and proposals for practices to improve rigor are appearing. Here, we discuss some of the details and implications of previously proposed best practices and consider some new ones, focusing on preclinical studies relevant to human neurological and psychiatric disorders. Copyright © 2014 Elsevier Inc. All rights reserved.

Involvement of Thermodynamic Cycle Analysis in a Concurrent Approach to Reciprocating Engine Design

Directory of Open Access Journals (Sweden)

J. Macek

2001-01-01

Full Text Available A modularised approach to thermodynamic optimisation of new concepts of volumetric combustion engines concerning efficiency and emissions is outlined. Levels of primary analysis using a computerised general-change entropy diagram and detailed multizone, 1 to 3-D finite volume methods are distinguished. The use of inverse algorithms based on the same equations is taken into account.

New methods of thermodynamics; Nouvelles methodes en thermodynamique

Energy Technology Data Exchange (ETDEWEB)

NONE

2001-07-01

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

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 Lanczos algorithm for extensive many-body systems in the thermodynamic limit

International Nuclear Information System (INIS)

Witte, N.S.; Bessis, D.

1999-01-01

We establish rigorously the scaling properties of the Lanczos process applied to an arbitrary extensive Many-Body System which is carried to convergence n → ∞ and the thermodynamic limit N → ∞ taken. In this limit the solution for the limiting Lanczos coefficients are found exactly and generally through two equivalent sets of equations, given initial knowledge of the exact cumulant generating function. The measure and the Orthogonal Polynomial System associated with the Lanczos process in this regime are also given explicitly. Some important representations of these Lanczos functions are provided, including Taylor series expansions, and the theorems controlling their general properties are proven. (authors)

Extended thermodynamics

CERN Document Server

Müller, Ingo

1993-01-01

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

High and low rigor temperature effects on sheep meat tenderness and ageing.

Science.gov (United States)

Devine, Carrick E; Payne, Steven R; Peachey, Bridget M; Lowe, Timothy E; Ingram, John R; Cook, Christian J

2002-02-01

Immediately after electrical stimulation, the paired m. longissimus thoracis et lumborum (LT) of 40 sheep were boned out and wrapped tightly with a polyethylene cling film. One of the paired LT's was chilled in 15°C air to reach a rigor mortis (rigor) temperature of 18°C and the other side was placed in a water bath at 35°C and achieved rigor at this temperature. Wrapping reduced rigor shortening and mimicked meat left on the carcass. After rigor, the meat was aged at 15°C for 0, 8, 26 and 72 h and then frozen. The frozen meat was cooked to 75°C in an 85°C water bath and shear force values obtained from a 1×1 cm cross-section. The shear force values of meat for 18 and 35°C rigor were similar at zero ageing, but as ageing progressed, the 18 rigor meat aged faster and became more tender than meat that went into rigor at 35°C (Prigor at each ageing time were significantly different (Prigor were still significantly greater. Thus the toughness of 35°C meat was not a consequence of muscle shortening and appears to be due to both a faster rate of tenderisation and the meat tenderising to a greater extent at the lower temperature. The cook loss at 35°C rigor (30.5%) was greater than that at 18°C rigor (28.4%) (P<0.01) and the colour Hunter L values were higher at 35°C (P<0.01) compared with 18°C, but there were no significant differences in a or b values.

Thermodynamic Equilibria and Extrema Analysis of Attainability Regions and Partial Equilibria

CERN Document Server

Gorban, Alexander N; Kaganovich, Boris M; Keiko, Alexandre V; Shamansky, Vitaly A; Shirkalin, Igor A

2006-01-01

This book discusses mathematical models that are based on the concepts of classical equilibrium thermodynamics. They are intended for the analysis of possible results of diverse natural and production processes. Unlike the traditional models, these allow one to view the achievable set of partial equilibria with regards to constraints on kinetics, energy and mass exchange and to determine states of the studied systems of interest for the researcher. Application of the suggested models in chemical technology, energy and ecology is illustrated in the examples.

Thermodynamic and exergoeconomic analysis of a cement plant: Part II – Application

International Nuclear Information System (INIS)

Atmaca, Adem; Yumrutaş, Recep

2014-01-01

Highlights: • The overall energy and exergy efficiencies of the plant is found to be 59.37% and 38.99% respectively. • Performance assessment of a cement plant indicates that the calcination process involves the highest portion of energy losses. • The specific exergetic cost cement produced by the cement plant is calculated to be 180.5 USD/GJ. • The specific cement manufacturing cost is found to be 41.84 USD/ton. - Abstract: This paper is Part 2 of the study on the thermodynamic and exergoeconomic analysis of a cement plant. In Part 1, thermodynamic and exergoeconomic formulations and procedure for such a comprehensive analysis are provided while this paper provides an application of the developed formulation that considers an actual cement plant located in Gaziantep, Turkey. The overall energy and exergy efficiencies of the plant is found to be 59.37% and 38.99% respectively. The exergy destructions, exergetic cost allocations, and various exergoeconomic performance parameters are determined by using the exergoeconomic analysis based on specific exergy costing method (SPECO) for the entire plant and its components. The specific unit exergetic cost of the farine, clinker and cement produced by the cement plant are calculated to be 43.77 USD/GJ, 133.72 USD/GJ and 180.5 USD/GJ respectively. The specific manufacturing costs of farine, clinker and cement are found to be 3.8 USD/ton, 33.11 USD/ton and 41.84 USD/ton respectively

Physiological studies of muscle rigor mortis in the fowl

International Nuclear Information System (INIS)

Nakahira, S.; Kaneko, K.; Tanaka, K.

1990-01-01

A simple system was developed for continuous measurement of muscle contraction during nor mortis. Longitudinal muscle strips dissected from the Peroneus Longus were suspended in a plastic tube containing liquid paraffin. Mechanical activity was transmitted to a strain-gauge transducer which is connected to a potentiometric pen-recorder. At the onset of measurement 1.2g was loaded on the muscle strip. This model was used to study the muscle response to various treatments during nor mortis. All measurements were carried out under the anaerobic condition at 17°C, except otherwise stated. 1. The present system was found to be quite useful for continuous measurement of muscle rigor course. 2. Muscle contraction under the anaerobic condition at 17°C reached a peak about 2 hours after the onset of measurement and thereafter it relaxed at a slow rate. In contrast, the aerobic condition under a high humidity resulted in a strong rigor, about three times stronger than that in the anaerobic condition. 3. Ultrasonic treatment (37, 000-47, 000Hz) at 25°C for 10 minutes resulted in a moderate muscle rigor. 4. Treatment of muscle strip with 2mM EGTA at 30°C for 30 minutes led to a relaxation of the muscle. 5. The muscle from the birds killed during anesthesia with pentobarbital sodium resulted in a slow rate of rigor, whereas the birds killed one day after hypophysectomy led to a quick muscle rigor as seen in intact controls. 6. A slight muscle rigor was observed when muscle strip was placed in a refrigerator at 0°C for 18.5 hours and thereafter temperature was kept at 17°C. (author)

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

Estimation of the breaking of rigor mortis by myotonometry.

Science.gov (United States)

Vain, A; Kauppila, R; Vuori, E

1996-05-31

Myotonometry was used to detect breaking of rigor mortis. The myotonometer is a new instrument which measures the decaying oscillations of a muscle after a brief mechanical impact. The method gives two numerical parameters for rigor mortis, namely the period and decrement of the oscillations, both of which depend on the time period elapsed after death. In the case of breaking the rigor mortis by muscle lengthening, both the oscillation period and decrement decreased, whereas, shortening the muscle caused the opposite changes. Fourteen h after breaking the stiffness characteristics of the right and left m. biceps brachii, or oscillation periods, were assimilated. However, the values for decrement of the muscle, reflecting the dissipation of mechanical energy, maintained their differences.

Thermodynamic analysis and optimization of IT-SOFC-based integrated coal gasification fuel cell power plants

NARCIS (Netherlands)

Romano, M.C.; Campanari, S.; Spallina, V.; Lozza, G.

2011-01-01

This work discusses the thermodynamic analysis of integrated gasification fuel cell plants, where a simple cycle gas turbine works in a hybrid cycle with a pressurized intermediate temperature–solid oxide fuel cell (SOFC), integrated with a coal gasification and syngas cleanup island and a bottoming

Thermodynamic stability of elementary chemical reactions proceeding at finite rates revisited using Lyapunov function analysis

International Nuclear Information System (INIS)

Burande, Chandrakant S.; Bhalekar, Anil A.

2005-01-01

The thermodynamic stability of a few representative elementary chemical reactions proceeding at finite rates has been investigated using the recently proposed thermodynamic Lyapunov function and following the steps of Lyapunov's second method (also termed as the direct method) of stability of motion. The thermodynamic Lyapunov function; L s , used herein is the excess rate of entropy production in the thermodynamic perturbation space, which thereby inherits the dictates of the second law of thermodynamics. This Lyapunov function is not the same as the excess entropy rate that one encounters in thermodynamic (irreversible) literature. The model chemical conversions studied in this presentation are A+B→v x X and A+B↔ν x X. For the sake of simplicity, the thermal effects of chemical reactions have been considered as not adding to the perturbation as our main aim was to demonstrate how one should use systematically the proposed thermodynamic Lyapunov function following the steps of Lyapunov's second method of stability of motion. The domains of thermodynamic stability under the constantly acting small disturbances, thermodynamic asymptotic stability and thermodynamic instability in these model systems get established

Estimation of the convergence order of rigorous coupled-wave analysis for OCD metrology

Science.gov (United States)

Ma, Yuan; Liu, Shiyuan; Chen, Xiuguo; Zhang, Chuanwei

2011-12-01

In most cases of optical critical dimension (OCD) metrology, when applying rigorous coupled-wave analysis (RCWA) to optical modeling, a high order of Fourier harmonics is usually set up to guarantee the convergence of the final results. However, the total number of floating point operations grows dramatically as the truncation order increases. Therefore, it is critical to choose an appropriate order to obtain high computational efficiency without losing much accuracy in the meantime. In this paper, the convergence order associated with the structural and optical parameters has been estimated through simulation. The results indicate that the convergence order is linear with the period of the sample when fixing the other parameters, both for planar diffraction and conical diffraction. The illuminated wavelength also affects the convergence of a final result. With further investigations concentrated on the ratio of illuminated wavelength to period, it is discovered that the convergence order decreases with the growth of the ratio, and when the ratio is fixed, convergence order jumps slightly, especially in a specific range of wavelength. This characteristic could be applied to estimate the optimum convergence order of given samples to obtain high computational efficiency.

Rigorous simulation: a tool to enhance decision making

Energy Technology Data Exchange (ETDEWEB)

Neiva, Raquel; Larson, Mel; Baks, Arjan [KBC Advanced Technologies plc, Surrey (United Kingdom)

2012-07-01

The world refining industries continue to be challenged by population growth (increased demand), regional market changes and the pressure of regulatory requirements to operate a 'green' refinery. Environmental regulations are reducing the value and use of heavy fuel oils, and leading to convert more of the heavier products or even heavier crude into lighter products while meeting increasingly stringent transportation fuel specifications. As a result actions are required for establishing a sustainable advantage for future success. Rigorous simulation provides a key advantage improving the time and efficient use of capital investment and maximizing profitability. Sustainably maximizing profit through rigorous modeling is achieved through enhanced performance monitoring and improved Linear Programme (LP) model accuracy. This paper contains examples on these two items. The combination of both increases overall rates of return. As refiners consider optimizing existing assets and expanding projects, the process agreed to achieve these goals is key for a successful profit improvement. The benefit of rigorous kinetic simulation with detailed fractionation allows for optimizing existing asset utilization while focusing the capital investment in the new unit(s), and therefore optimizing the overall strategic plan and return on investment. Individual process unit's monitoring works as a mechanism for validating and optimizing the plant performance. Unit monitoring is important to rectify poor performance and increase profitability. The key to a good LP relies upon the accuracy of the data used to generate the LP sub-model data. The value of rigorous unit monitoring are that the results are heat and mass balanced consistently, and are unique for a refiners unit / refinery. With the improved match of the refinery operation, the rigorous simulation models will allow capturing more accurately the non linearity of those process units and therefore provide correct

Rigorous solution to Bargmann-Wigner equation for integer spin

CERN Document Server

Huang Shi Zhong; Wu Ning; Zheng Zhi Peng

2002-01-01

A rigorous method is developed to solve the Bargamann-Wigner equation for arbitrary integer spin in coordinate representation in a step by step way. The Bargmann-Wigner equation is first transformed to a form easier to solve, the new equations are then solved rigorously in coordinate representation, and the wave functions in a closed form are thus derived

Thermodynamics and entanglements of walks under stress

International Nuclear Information System (INIS)

Janse van Rensburg, E J; Orlandini, E; Tesi, M C; Whittington, S G

2009-01-01

We use rigorous arguments and Monte Carlo simulations to study the thermodynamics and the topological properties of self-avoiding walks on the cubic lattice subjected to an external force f. The walks are anchored at one or both endpoints to an impenetrable plane at Z = 0 and the force is applied in the Z-direction. If a force is applied to the free endpoint of an anchored walk, then a model of pulled walks is obtained. If the walk is confined to a slab and a force is applied to the top bounding plane, then a model of stretched walks is obtained. For both models we prove the existence of the limiting free energy for any value of the force and we show that, for compressive forces, the thermodynamic properties of the two models differ substantially. For pulled walks we prove the existence of a phase transition that, by numerical simulation, we estimate to be second order and located at f = 0. By using a pattern theorem for large positive forces we show that almost all sufficiently long stretched walks are knotted. We examine the entanglement complexity of stretched and pulled walks; our numerical results show a sharp reduction with increasing pulling and stretching forces. Finally, we also examine models of pulled and stretched loops. We prove the existence of limiting free energies in these models and consider the knot probability numerically as a function of the applied pulling or stretching force

RIGOR MORTIS AND THE INFLUENCE OF CALCIUM AND MAGNESIUM SALTS UPON ITS DEVELOPMENT.

Science.gov (United States)

Meltzer, S J; Auer, J

1908-01-01

Calcium salts hasten and magnesium salts retard the development of rigor mortis, that is, when these salts are administered subcutaneously or intravenously. When injected intra-arterially, concentrated solutions of both kinds of salts cause nearly an immediate onset of a strong stiffness of the muscles which is apparently a contraction, brought on by a stimulation caused by these salts and due to osmosis. This contraction, if strong, passes over without a relaxation into a real rigor. This form of rigor may be classed as work-rigor (Arbeitsstarre). In animals, at least in frogs, with intact cords, the early contraction and the following rigor are stronger than in animals with destroyed cord. If M/8 solutions-nearly equimolecular to "physiological" solutions of sodium chloride-are used, even when injected intra-arterially, calcium salts hasten and magnesium salts retard the onset of rigor. The hastening and retardation in this case as well as in the cases of subcutaneous and intravenous injections, are ion effects and essentially due to the cations, calcium and magnesium. In the rigor hastened by calcium the effects of the extensor muscles mostly prevail; in the rigor following magnesium injection, on the other hand, either the flexor muscles prevail or the muscles become stiff in the original position of the animal at death. There seems to be no difference in the degree of stiffness in the final rigor, only the onset and development of the rigor is hastened in the case of the one salt and retarded in the other. Calcium hastens also the development of heat rigor. No positive facts were obtained with regard to the effect of magnesium upon heat vigor. Calcium also hastens and magnesium retards the onset of rigor in the left ventricle of the heart. No definite data were gathered with regard to the effects of these salts upon the right ventricle.

Thermodynamic analysis of the tetragonal to monoclinic transformation in a constrained zirconia microcrystal

International Nuclear Information System (INIS)

Garvie, R.C.

1985-01-01

A thermodynamic analysis was made of a simple model comprising a transforming t-ZrO 2 microcrystal of size d constrained in a matrix subjected to a hydrostatic tensile stress field. The field generated a critical size range such that a t-particle transformed if dsub(cl) < d < dsub(cu). The lower limit dsub(cl) exists because at this point the maximum energy (supplied by the applied stress) which can be taken up by the crystal is insufficient to drive the transformation. The upper limit dsub(cu) is a consequence of the microcrystal being so large that it transforms spontaneously when the material is cooled to room temperature. Using the thermodynamic (Griffith) approach and assuming that transformation toughening is due to the dilational strain energy, this mechanism accounted for about one-third of the total observed effective surface energy in a peak-aged Ca-PSZ alloy. (author)

Thermodynamic analysis of a fuel cell power system for transportation applications

International Nuclear Information System (INIS)

Hussain, M.M.; Baschuk, J.J.; Li, X.; Dincer, I.

2004-01-01

This study deals with the thermodynamic modeling of a polymer electrolyte membrane (PEM) fuel cell power system for transportation applications. The PEM fuel cell performance model developed previously by two of the authors is incorporated into the present model. The analysis includes the operation of all the components in the system, which consists of two major modules: PEM fuel cell stack module and system module and a cooling pump. System module includes air compressor, heat exchanger, humidifier and a cooling loop. A parametric study is performed to examine the effect of varying operating conditions (e.g., temperature pressure and air stoichiometry) on the energy and exergy efficiencies of the system. Further, thermodynamic irreversibilities in each component of the system are determined. It is found that, with the increase of external load (current density), the difference between the gross stack power and net system power increases. The largest irreversibility rate occurs in the fuel cell stack. Thus, minimization of irreversibility rate in the fuel cell stack is essential to enhance the performance of the system, which in turn reduces the cost and helps in commercialization of fuel cell power system in transportation applications. (author)

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)

Systematic vibration thermodynamic properties of bromine

Science.gov (United States)

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

2015-11-01

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

Thermodynamical motivation of the Polish energy policy

Directory of Open Access Journals (Sweden)

Ziębik Andrzej

2013-02-01

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

Singular limits in thermodynamics of viscous fluids

CERN Document Server

Feireisl, Eduard

2017-01-01

This book is about singular limits of systems of partial differential equations governing the motion of thermally conducting compressible viscous fluids. "The main aim is to provide mathematically rigorous arguments how to get from the compressible Navier-Stokes-Fourier system several less complex systems of partial differential equations used e.g. in meteorology or astrophysics. However, the book contains also a detailed introduction to the modelling in mechanics and thermodynamics of fluids from the viewpoint of continuum physics. The book is very interesting and important. It can be recommended not only to specialists in the field, but it can also be used for doctoral students and young researches who want to start to work in the mathematical theory of compressible fluids and their asymptotic limits." Milan Pokorný (zbMATH) "This book is of the highest quality from every point of view. It presents, in a unified way, recent research material of fundament al importance. It is self-contained, thanks to Chapt...

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.

Diagram analysis of the Hubbard model: Stationarity property of the thermodynamic potential

International Nuclear Information System (INIS)

Moskalenko, V. A.; Dohotaru, L. A.; Cebotari, I. D.

2010-01-01

The diagram approach proposed many years ago for the strongly correlated Hubbard model is developed with the aim to analyze the thermodynamic potential properties. A new exact relation between renormalized quantities such as the thermodynamic potential, the one-particle propagator, and the correlation function is established. This relation contains an additional integration of the one-particle propagator with respect to an auxiliary constant. The vacuum skeleton diagrams constructed from the irreducible Green's functions and tunneling propagator lines are determined and a special functional is introduced. The properties of this functional are investigated and its relation to the thermodynamic potential is established. The stationarity property of this functional with respect to first-order variations of the correlation function is demonstrated; as a consequence, the stationarity property of the thermodynamic potential is proved.

Integration of thermodynamic insights and MINLP optimisation for the synthesis, design and analysis of process flowsheets

DEFF Research Database (Denmark)

Hostrup, Martin; Gani, Rafiqul; Kravanja, Zdravko

1999-01-01

This paper presents an integrated approach to the solution of process synthesis, design and analysis problems. Integration is achieved by combining two different techniques, synthesis based on thermodynamic insights and structural optimization together with a simulation engine and a properties pr...

Thermodynamic analysis of a new combined cooling and power system using ammonia–water mixture

International Nuclear Information System (INIS)

Wang, Jiangfeng; Wang, Jianyong; Zhao, Pan; Dai, Yiping

2016-01-01

Highlights: • A new combined cooling and power system is proposed. • Exergy destruction analysis is used to identify irreversibility of components in system. • Thermodynamic parameter analysis is performed for system. - Abstract: In order to achieve both power and cooling supply for users, a new combined cooling and power system using ammonia–water mixture is proposed to utilizing low grade heat sources, such as industrial waste heat, solar energy and geothermal energy. The proposed system combines a Kalina cycle and an ammonia–water absorption refrigeration cycle, in which the ammonia–water turbine exhaust is delivered to a separator to extract purer ammonia vapor. The purer ammonia vapor enters an evaporator to generate refrigeration output after being condensed and throttled. Mathematical models are established to simulate the combined system under steady-state conditions. Exergy destruction analysis is conducted to display the exergy destruction distribution in the system qualitatively and the results show that the major exergy destruction occurs in the heat exchangers. Finally a thermodynamic sensitivity analysis is performed and reveals that with an increase in the pressure of separator I or the ammonia mass fraction of basic solution, thermal efficiency and exergy efficiency of the system increase, whereas with an increase in the temperature of separator I, the ammonia–water turbine back pressure or the condenser II pressure, thermal efficiency and exergy efficiency of the system drop.

Rigorous bounds on the free energy of electron-phonon models

NARCIS (Netherlands)

Raedt, Hans De; Michielsen, Kristel

1997-01-01

We present a collection of rigorous upper and lower bounds to the free energy of electron-phonon models with linear electron-phonon interaction. These bounds are used to compare different variational approaches. It is shown rigorously that the ground states corresponding to the sharpest bounds do

Thermodynamic Analysis of Chalk–Brine–Oil Interactions

DEFF Research Database (Denmark)

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

2017-01-01

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

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

International Nuclear Information System (INIS)

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

2016-01-01

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

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...

Accelerating Biomedical Discoveries through Rigor and Transparency.

Science.gov (United States)

Hewitt, Judith A; Brown, Liliana L; Murphy, Stephanie J; Grieder, Franziska; Silberberg, Shai D

2017-07-01

Difficulties in reproducing published research findings have garnered a lot of press in recent years. As a funder of biomedical research, the National Institutes of Health (NIH) has taken measures to address underlying causes of low reproducibility. Extensive deliberations resulted in a policy, released in 2015, to enhance reproducibility through rigor and transparency. We briefly explain what led to the policy, describe its elements, provide examples and resources for the biomedical research community, and discuss the potential impact of the policy on translatability with a focus on research using animal models. Importantly, while increased attention to rigor and transparency may lead to an increase in the number of laboratory animals used in the near term, it will lead to more efficient and productive use of such resources in the long run. The translational value of animal studies will be improved through more rigorous assessment of experimental variables and data, leading to better assessments of the translational potential of animal models, for the benefit of the research community and society. Published by Oxford University Press on behalf of the Institute for Laboratory Animal Research 2017. This work is written by (a) US Government employee(s) and is in the public domain in the US.

Classical and statistical thermodynamics

CERN Document Server

Rizk, Hanna A

2016-01-01

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

Recent Development in Rigorous Computational Methods in Dynamical Systems

OpenAIRE

Arai, Zin; Kokubu, Hiroshi; Pilarczyk, Paweł

2009-01-01

We highlight selected results of recent development in the area of rigorous computations which use interval arithmetic to analyse dynamical systems. We describe general ideas and selected details of different ways of approach and we provide specific sample applications to illustrate the effectiveness of these methods. The emphasis is put on a topological approach, which combined with rigorous calculations provides a broad range of new methods that yield mathematically rel...

Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces

International Nuclear Information System (INIS)

Sega, Marcello; Fábián, Balázs; Jedlovszky, Pál

2015-01-01

Interfaces are ubiquitous objects, whose thermodynamic behavior we only recently started to understand at the microscopic detail. Here, we borrow concepts from the techniques of surface identification and intrinsic analysis, to provide a complementary point of view on the density, stress, energy, and free energy distribution across liquid (“soft”) interfaces by analyzing the respective contributions coming from successive layers

Layer-by-layer and intrinsic analysis of molecular and thermodynamic properties across soft interfaces

Energy Technology Data Exchange (ETDEWEB)

Sega, Marcello [Computational Physics Group, University of Vienna, Sensengasse 8/9, 1090 Vienna (Austria); Fábián, Balázs [Institut UTINAM (CNRS UMR 6213), Université de Franche-Comté, 16 route de Gray, F-25030 Besançon (France); Department of Inorganic and Analytical Chemistry, Budapest University of Technology and Economics, Szt. Gellért tér 4, H-1111 Budapest (Hungary); Jedlovszky, Pál [Laboratory of Interfaces and Nanosize Systems, Institute of Chemistry, Eötvös Loránd University, Pázmány P. Stny 1/A, H-1117 Budapest (Hungary); MTA-BME Research Group of Technical Analytical Chemistry, Szt. Gellért tér 4, H-1111 Budapest (Hungary); Department of Chemistry, EKF, Leányka u. 6, H-3300 Eger (Hungary)

2015-09-21

Interfaces are ubiquitous objects, whose thermodynamic behavior we only recently started to understand at the microscopic detail. Here, we borrow concepts from the techniques of surface identification and intrinsic analysis, to provide a complementary point of view on the density, stress, energy, and free energy distribution across liquid (“soft”) interfaces by analyzing the respective contributions coming from successive layers.

Thermodynamic properties of soddyite from solubility and calorimetry measurements

International Nuclear Information System (INIS)

Gorman-Lewis, Drew; Mazeina, Lena; Fein, Jeremy B.; Szymanowski, Jennifer E.S.; Burns, Peter C.; Navrotsky, Alexandra

2007-01-01

The release of uranium from geologic nuclear waste repositories under oxidizing conditions can only be modeled if the thermodynamic properties of the secondary uranyl minerals that form in the repository setting are known. Toward this end, we synthesized soddyite ((UO 2 ) 2 (SiO 4 )(H 2 O) 2 ), and performed solubility measurements from both undersaturation and supersaturation. The solubility measurements rigorously constrain the value of the solubility product of synthetic soddyite, and consequently its standard-state Gibbs free energy of formation. The log solubility product (lg K sp ) with its error (1σ) is (6.43 + 0.20/-0.37), and the standard-state Gibbs free energy of formation is (-3652.2 ± 4.2 (2σ)) kJ mol -1 . High-temperature drop solution calorimetry was conducted, yielding a calculated standard-state enthalpy of formation of soddyite of (-4045.4 ± 4.9 (2σ)) kJ . mol -1 . The standard-state Gibbs free energy and enthalpy of formation yield a calculated standard-state entropy of formation of soddyite of (-1318.7 ± 21.7 (2σ)) J . mol -1 . K -1 . The measurements and associated thermodynamic calculations not only describe the T = 298 K stability and solubility of soddyite, but they also can be used in predictions of repository performance through extrapolation of these properties to repository temperatures

Thermodynamic stabilization of colloids

NARCIS (Netherlands)

Stol, R.J.; Bruyn, P.L. de

An analysis is given of the conditions necessary for obtaining a thermodynamically stable dispersion (TSD) of solid particles in a continuous aqueous solution phase. The role of the adsorption of potential-determining ions at the planar interface in lowering the interfacial free energy (γ) to

Trends: Rigor Mortis in the Arts.

Science.gov (United States)

Blodget, Alden S.

1991-01-01

Outlines how past art education provided a refuge for students from the rigors of other academic subjects. Observes that in recent years art education has become "discipline based." Argues that art educators need to reaffirm their commitment to a humanistic way of knowing. (KM)

Thermodynamic modelling of alkali-activated slag cements

International Nuclear Information System (INIS)

Myers, Rupert J.; Lothenbach, Barbara; Bernal, Susan A.; Provis, John L.

2015-01-01

Highlights: • A thermodynamic modelling analysis of alkali-activated slag cements is presented. • Thermodynamic database describes zeolites, alkali carbonates, C–(N–)A–S–H gel. • Updated thermodynamic model for Mg–Al layered double hydroxides. • Description of phase assemblages in Na 2 SiO 3 - and Na 2 CO 3 -activated slag cements. • Phase diagrams for NaOH-activated and Na 2 SiO 3 -activated slag cements are simulated. - Abstract: This paper presents a thermodynamic modelling analysis of alkali-activated slag-based cements, which are high performance and potentially low-CO 2 binders relative to Portland cement. The thermodynamic database used here contains a calcium (alkali) aluminosilicate hydrate ideal solid solution model (CNASH-ss), alkali carbonate and zeolite phases, and an ideal solid solution model for a hydrotalcite-like Mg–Al layered double hydroxide phase. Simulated phase diagrams for NaOH- and Na 2 SiO 3 -activated slag-based cements demonstrate the high stability of zeolites and other solid phases in these materials. Thermodynamic modelling provides a good description of the chemical compositions and types of phases formed in Na 2 SiO 3 -activated slag cements over the most relevant bulk chemical composition range for these cements, and the simulated volumetric properties of the cement paste are consistent with previously measured and estimated values. Experimentally determined and simulated solid phase assemblages for Na 2 CO 3 -activated slag cements were also found to be in good agreement. These results can be used to design the chemistry of alkali-activated slag-based cements, to further promote the uptake of this technology and valorisation of metallurgical slags

Thermodynamic and energy efficiency analysis of power generation from natural salinity gradients by pressure retarded osmosis.

Science.gov (United States)

Yip, Ngai Yin; Elimelech, Menachem

2012-05-01

The Gibbs free energy of mixing dissipated when fresh river water flows into the sea can be harnessed for sustainable power generation. Pressure retarded osmosis (PRO) is one of the methods proposed to generate power from natural salinity gradients. In this study, we carry out a thermodynamic and energy efficiency analysis of PRO work extraction. First, we present a reversible thermodynamic model for PRO and verify that the theoretical maximum extractable work in a reversible PRO process is identical to the Gibbs free energy of mixing. Work extraction in an irreversible constant-pressure PRO process is then examined. We derive an expression for the maximum extractable work in a constant-pressure PRO process and show that it is less than the ideal work (i.e., Gibbs free energy of mixing) due to inefficiencies intrinsic to the process. These inherent inefficiencies are attributed to (i) frictional losses required to overcome hydraulic resistance and drive water permeation and (ii) unutilized energy due to the discontinuation of water permeation when the osmotic pressure difference becomes equal to the applied hydraulic pressure. The highest extractable work in constant-pressure PRO with a seawater draw solution and river water feed solution is 0.75 kWh/m(3) while the free energy of mixing is 0.81 kWh/m(3)-a thermodynamic extraction efficiency of 91.1%. Our analysis further reveals that the operational objective to achieve high power density in a practical PRO process is inconsistent with the goal of maximum energy extraction. This study demonstrates thermodynamic and energetic approaches for PRO and offers insights on actual energy accessible for utilization in PRO power generation through salinity gradients. © 2012 American Chemical Society

Using grounded theory as a method for rigorously reviewing literature

NARCIS (Netherlands)

Wolfswinkel, J.; Furtmueller-Ettinger, Elfriede; Wilderom, Celeste P.M.

2013-01-01

This paper offers guidance to conducting a rigorous literature review. We present this in the form of a five-stage process in which we use Grounded Theory as a method. We first probe the guidelines explicated by Webster and Watson, and then we show the added value of Grounded Theory for rigorously

Mechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysis.

Directory of Open Access Journals (Sweden)

Yonghua Wang

Full Text Available MicroRNAs (miRNAs are endogenously produced approximately 21-nt riboregulators that associate with Argonaute (Ago proteins to direct mRNA cleavage or repress the translation of complementary RNAs. Capturing the molecular mechanisms of miRNA interacting with its target will not only reinforce the understanding of underlying RNA interference but also fuel the design of more effective small-interfering RNA strands. To address this, in the present work the RNA-bound (Ago-miRNA, Ago-miRNA-target and RNA-free Ago forms were analyzed by performing both molecular dynamics simulations and thermodynamic analysis. Based on the principal component analysis results of the simulation trajectories as well as the correlation analysis in fluctuations of residues, we discover that: 1 three important (PAZ, Mid and PIWI domains exist in Argonaute which define the global dynamics of the protein; 2 the interdomain correlated movements are so crucial for the interaction of Ago-RNAs that they not only facilitate the relaxation of the interactions between residues surrounding the RNA binding channel but also induce certain conformational changes; and 3 it is just these conformational changes that expand the cavity of the active site and open putative pathways for both the substrate uptake and product release. In addition, by thermodynamic analysis we also discover that for both the guide RNA 5'-end recognition and the facilitated site-specific cleavage of the target, the presence of two metal ions (of Mg(2+ plays a predominant role, and this conclusion is consistent with the observed enzyme catalytic cleavage activity in the ternary complex (Ago-miRNA-mRNA. Our results find that it is the set of arginine amino acids concentrated in the nucleotide-binding channel in Ago, instead of the conventionally-deemed seed base-paring, that makes greater contributions in stabilizing the binding of the nucleic acids to Ago.

Mechanism of microRNA-target interaction: molecular dynamics simulations and thermodynamics analysis.

Science.gov (United States)

Wang, Yonghua; Li, Yan; Ma, Zhi; Yang, Wei; Ai, Chunzhi

2010-07-29

MicroRNAs (miRNAs) are endogenously produced approximately 21-nt riboregulators that associate with Argonaute (Ago) proteins to direct mRNA cleavage or repress the translation of complementary RNAs. Capturing the molecular mechanisms of miRNA interacting with its target will not only reinforce the understanding of underlying RNA interference but also fuel the design of more effective small-interfering RNA strands. To address this, in the present work the RNA-bound (Ago-miRNA, Ago-miRNA-target) and RNA-free Ago forms were analyzed by performing both molecular dynamics simulations and thermodynamic analysis. Based on the principal component analysis results of the simulation trajectories as well as the correlation analysis in fluctuations of residues, we discover that: 1) three important (PAZ, Mid and PIWI) domains exist in Argonaute which define the global dynamics of the protein; 2) the interdomain correlated movements are so crucial for the interaction of Ago-RNAs that they not only facilitate the relaxation of the interactions between residues surrounding the RNA binding channel but also induce certain conformational changes; and 3) it is just these conformational changes that expand the cavity of the active site and open putative pathways for both the substrate uptake and product release. In addition, by thermodynamic analysis we also discover that for both the guide RNA 5'-end recognition and the facilitated site-specific cleavage of the target, the presence of two metal ions (of Mg(2+)) plays a predominant role, and this conclusion is consistent with the observed enzyme catalytic cleavage activity in the ternary complex (Ago-miRNA-mRNA). Our results find that it is the set of arginine amino acids concentrated in the nucleotide-binding channel in Ago, instead of the conventionally-deemed seed base-paring, that makes greater contributions in stabilizing the binding of the nucleic acids to Ago.

Thermodynamic exergy analysis for small modular reactor in nuclear hybrid energy system - 15110

International Nuclear Information System (INIS)

Boldon, L.; Liu, L.; Sabharwall, P.; Rabiti, C.; Bragg-Sitton, S.M.

2015-01-01

To assess the inherent value of energy in a thermal system, it is necessary to understand both the quantity and quality of energy available or the exergy. We study the case where nuclear energy through a small modular reactor (SMR) is supplementing the available wind energy through storage to meet the needs of the electrical grid. Nuclear power is also being used for the production of hydrogen via high temperature steam electrolysis. For a SMR exergy analysis, both the physical and economic environments must be considered. The physical environment incorporates the energy, raw materials, and reference environment, where the reference environment refers to natural resources available without limit and without cost. This paper aims to explore the use of exergy analysis methods to estimate and optimize SMR resources and costs for individual subsystems, based on thermodynamic principles-resource utilization and efficiency. The paper will present background information on exergy theory; identify the core subsystems in an SMR plant coupled with storage systems in support of renewable energy and hydrogen production; perform a thermodynamic exergy analysis; determine the cost allocation among these subsystems; and calculate unit 'exergetic' costs, unit 'exergo-economic' costs, and first and second law efficiencies. Exergetic and 'exergo-economic' costs ultimately determine how individual subsystems contribute to overall profitability and how efficiencies and consumption may be optimized to improve profitability, making SMRs more competitive with other generation technologies

Thermodynamic analysis of computed pathways integrated into the metabolic networks of E. coli and Synechocystis reveals contrasting expansion potential.

Science.gov (United States)

Asplund-Samuelsson, Johannes; Janasch, Markus; Hudson, Elton P

2018-01-01

Introducing biosynthetic pathways into an organism is both reliant on and challenged by endogenous biochemistry. Here we compared the expansion potential of the metabolic network in the photoautotroph Synechocystis with that of the heterotroph E. coli using the novel workflow POPPY (Prospecting Optimal Pathways with PYthon). First, E. coli and Synechocystis metabolomic and fluxomic data were combined with metabolic models to identify thermodynamic constraints on metabolite concentrations (NET analysis). Then, thousands of automatically constructed pathways were placed within each network and subjected to a network-embedded variant of the max-min driving force analysis (NEM). We found that the networks had different capabilities for imparting thermodynamic driving forces toward certain compounds. Key metabolites were constrained differently in Synechocystis due to opposing flux directions in glycolysis and carbon fixation, the forked tri-carboxylic acid cycle, and photorespiration. Furthermore, the lysine biosynthesis pathway in Synechocystis was identified as thermodynamically constrained, impacting both endogenous and heterologous reactions through low 2-oxoglutarate levels. Our study also identified important yet poorly covered areas in existing metabolomics data and provides a reference for future thermodynamics-based engineering in Synechocystis and beyond. The POPPY methodology represents a step in making optimal pathway-host matches, which is likely to become important as the practical range of host organisms is diversified. Copyright © 2017 The Authors. Published by Elsevier Inc. All rights reserved.

Thermodynamic analysis of a combined gas turbine, ORC cycle and absorption refrigeration for a CCHP system

International Nuclear Information System (INIS)

Mohammadi, Amin; Kasaeian, Alibakhsh; Pourfayaz, Fathollah; Ahmadi, Mohammad Hossein

2017-01-01

Highlights: • Thermodynamic analysis of a hybrid CCHP system. • Sensitivity analysis is performed on the most important parameters of the system. • Pressure ratio and gas turbine inlet temperature are the most effective parameters. - Abstract: Hybrid power systems are gained more attention due to their better performance and higher efficiency. Widespread use of these systems improves environmental situation as they reduce the amount of fossil fuel consumption. In this paper a hybrid system composed of a gas turbine, an ORC cycle and an absorption refrigeration cycle is proposed as a combined cooling, heating and power system for residential usage. Thermodynamic analysis is applied on the system. Also a parametric analysis is carried out to investigate the effect of different parameters on the system performance and output cooling, heating and power. The results show that under design conditions, the proposed plant can produce 30 kW power, 8 kW cooling and almost 7.2 ton hot water with an efficiency of 67.6%. Moreover, parametric analysis shows that pressure ratio and gas turbine inlet temperature are the most important and influential parameters. After these two, ORC turbine inlet temperature is the most effective parameter as it can change both net output power and energy efficiency of the system.

Numerical implementation and oceanographic application of the thermodynamic potentials of liquid water, water vapour, ice, seawater and humid air – Part 1: Background and equations

Directory of Open Access Journals (Sweden)

R. Feistel

2010-07-01

Full Text Available A new seawater standard referred to as the International Thermodynamic Equation of Seawater 2010 (TEOS-10 was adopted in June 2009 by UNESCO/IOC on its 25th General Assembly in Paris, as recommended by the SCOR/IAPSO Working Group 127 (WG127 on Thermodynamics and Equation of State of Seawater. To support the adoption process, WG127 has developed a comprehensive source code library for the thermodynamic properties of liquid water, water vapour, ice, seawater and humid air, referred to as the Sea-Ice-Air (SIA library. Here we present the background information and equations required for the determination of the properties of single phases and components as well as of phase transitions and composite systems as implemented in the library. All results are based on rigorous mathematical methods applied to the Primary Standards of the constituents, formulated as empirical thermodynamic potential functions and, except for humid air, endorsed as Releases of the International Association for the Properties of Water and Steam (IAPWS. Details of the implementation in the TEOS-10 SIA library are given in a companion paper.

Vibrational analysis and thermodynamic properties of C120 nanotorus: a DFT study

International Nuclear Information System (INIS)

López-Chávez, Ernesto; Cruz-Torres, Armando; Landa Castillo-Alvarado, Fray de; Ortíz-López, Jaime; Peña-Castañeda, Yésica A.; Martínez-Magadán, José Manuel

2011-01-01

Density functional theory (DFT) computational methods are applied to a C 120 carbon nanotorus studied as an isolated molecular species, using the functional GGA PW91. This toroidal form of carbon contains five fold, six fold, and sevenfold rings. The calculated cohesive energy of the nanotorus, indicates that the ground state of this structure is energetically more stable than that of fullerene C 60 . Geometry and stability, Raman and IR vibrational analysis and thermodynamic properties have been reported and compared to the values obtained by other authors.

Geometro-thermodynamics of tidal charged black holes

International Nuclear Information System (INIS)

Gergely, Laszlo Arpad; Pidokrajt, Narit; Winitzki, Sergei

2011-01-01

Tidal charged spherically symmetric vacuum brane black holes are characterized by their mass m and tidal charge q, an imprint of the five-dimensional Weyl curvature. For q>0 they are formally identical to the Reissner-Nordstroem black hole of general relativity. We study the thermodynamics and thermodynamic geometries of tidal charged black holes and discuss similarities and differences as compared to the Reissner-Nordstroe m black hole. As a similarity, we show that (for q>0) the heat capacity of the tidal charged black hole diverges on a set of measure zero of the parameter space, nevertheless both the regularity of the Ruppeiner metric and a Poincare stability analysis show no phase transition at those points. The thermodynamic state spaces being different indicates that the underlying statistical models could be different. We find that the q<0 parameter range, which enhances the localization of gravity on the brane, is thermodynamically preferred. Finally we constrain for the first time the possible range of the tidal charge from the thermodynamic limit on gravitational radiation efficiency at black hole mergers. (orig.)

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

Energy Technology Data Exchange (ETDEWEB)

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

1995-05-01

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

Nanofluidics thermodynamic and transport properties

CERN Document Server

Michaelides, Efstathios E (Stathis)

2014-01-01

This volume offers a comprehensive examination of the subject of heat and mass transfer with nanofluids as well as a critical review of the past and recent research projects in this area. Emphasis is placed on the fundamentals of the transport processes using particle-fluid suspensions, such as nanofluids. The nanofluid research is examined and presented in a holistic way using a great deal of our experience with the subjects of continuum mechanics, statistical thermodynamics, and non-equilibrium thermodynamics of transport processes. Using a thorough database, the experimental, analytical, and numerical advances of recent research in nanofluids are critically examined and connected to past research with medium and fine particles as well as to functional engineering systems. Promising applications and technological issues of heat/mass transfer system design with nanofluids are also discussed. This book also: Provides a deep scientific analysis of nanofluids using classical thermodynamics and statistical therm...

Thermodynamic, energy efficiency, and power density analysis of reverse electrodialysis power generation with natural salinity gradients

NARCIS (Netherlands)

Yip, N.Y.; Vermaas, D.A.; Nijmeijer, K.; Elimelech, M.

2014-01-01

Reverse electrodialysis (RED) can harness the Gibbs free energy of mixing when fresh river water flows into the sea for sustainable power generation. In this study, we carry out a thermodynamic and energy efficiency analysis of RED power generation, and assess the membrane power density. First, we

Thermodynamic Analysis of the Static Spherically Symmetric Field Equations in Rastall Theory

International Nuclear Information System (INIS)

Moradpour, Hooman; Salako, Ines G.

2016-01-01

The restrictions on the Rastall theory due to application of the Newtonian limit to the theory are derived. In addition, we use the zero-zero component of the Rastall field equations as well as the unified first law of thermodynamics to find the Misner-Sharp mass content confined to the event horizon of the spherically symmetric static spacetimes in the Rastall framework. The obtained relation is calculated for the Schwarzschild and de-Sitter back holes as two examples. Bearing the obtained relation for the Misner-Sharp mass in mind together with recasting the one-one component of the Rastall field equations into the form of the first law of thermodynamics, we obtain expressions for the horizon entropy and the work term. Finally, we also compare the thermodynamic quantities of system, including energy, entropy, and work, with their counterparts in the Einstein framework to have a better view about the role of the Rastall hypothesis on the thermodynamics of system.

An Investigation of Applications for Thermodynamic Work Potential Methods: Working Tables and Charts for Estimation of Thermodynamic Work Potential in Equilibrium Mixtures of Jet-A and Air

Science.gov (United States)

Mavris, Dimitri; Roth, Bryce; McDonald, Rob

2002-01-01

The objective of this report is to provide a tool to facilitate the application of thermodynamic work potential methods to aircraft and engine analysis. This starts with a discussion of the theoretical background underlying these methods, which is then used to derive various equations useful for thermodynamic analysis of aircraft engines. The work potential analysis method is implemented in the form of a set of working charts and tables that can be used to graphically evaluate work potential stored in high-enthalpy gas. The range of validity for these tables is 300 to 36,000 R, pressures between between 0.01 atm and 100 atm, and fuel-air ratios from zero to stoichiometric. The derivations and charts assume mixtures of Jet-A and air as the working fluid. The thermodynamic properties presented in these charts were calculated based upon standard thermodynamic curve fits.

Life cycle assessment integrated with thermodynamic analysis of bio-fuel options for solid oxide fuel cells.

Science.gov (United States)

Lin, Jiefeng; Babbitt, Callie W; Trabold, Thomas A

2013-01-01

A methodology that integrates life cycle assessment (LCA) with thermodynamic analysis is developed and applied to evaluate the environmental impacts of producing biofuels from waste biomass, including biodiesel from waste cooking oil, ethanol from corn stover, and compressed natural gas from municipal solid wastes. Solid oxide fuel cell-based auxiliary power units using bio-fuel as the hydrogen precursor enable generation of auxiliary electricity for idling heavy-duty trucks. Thermodynamic analysis is applied to evaluate the fuel conversion efficiency and determine the amount of fuel feedstock needed to generate a unit of electrical power. These inputs feed into an LCA that compares energy consumption and greenhouse gas emissions of different fuel pathways. Results show that compressed natural gas from municipal solid wastes is an optimal bio-fuel option for SOFC-APU applications in New York State. However, this methodology can be regionalized within the U.S. or internationally to account for different fuel feedstock options. Copyright © 2012 Elsevier Ltd. All rights reserved.

Thermodynamics and Chemistry by Howard DeVoe

Science.gov (United States)

Gislason, Eric A.

2001-09-01

partial molar volumes. Thermodynamics and Chemistry is well written and should be very useful to anyone interested in a rigorous development of thermodynamics. Each chapter contains a number of challenging homework problems at the end, and there is a lengthy bibliography of books on the topic for anyone wishing to read further. There is also an extensive index. Overall, this is an excellent textbook and belongs on the shelf of anyone who has a serious interest in chemical thermodynamics.

Chemical thermodynamic representation of

International Nuclear Information System (INIS)

Lindemer, T.B.; Besmann, T.M.

1984-01-01

The entire data base for the dependence of the nonstoichiometry, x, on temperature and chemical potential of oxygen (oxygen potential) was retrieved from the literature and represented. This data base was interpreted by least-squares analysis using equations derived from the classical thermodynamic theory for the solid solution of a solute in a solvent. For hyperstoichiometric oxide at oxygen potentials more positive than -266700 + 16.5T kJ/mol, the data were best represented by a [UO 2 ]-[U 3 O 7 ] solution. For O/U ratios above 2 and oxygen potentials below this boundary, a [UO 2 ]-[U 2 O 4 . 5 ] solution represented the data. The data were represented by a [UO 2 ]-[U 1 / 3 ] solution. The resulting equations represent the experimental ln(PO 2 ) - ln(x) behavior and can be used in thermodynamic calculations to predict phase boundary compositions consistent with the literature. Collectively, the present analysis permits a mathematical representation of the behavior of the total data base

Thermodynamic Analysis of a Woodchips Gasification Integrated with Solid Oxide Fuel Cell and Stirling Engine

DEFF Research Database (Denmark)

Rokni, Masoud

2013-01-01

Integrated gasification Solid Oxide Fuel Cell (SOFC) and Stirling engine for combined heat and power application is analysed. The target for electricity production is 120 kW. Woodchips are used as gasification feedstock to produce syngas which is utilized for feeding the SOFC stacks for electricity...... and suggested. Thermodynamic analysis shows that a thermal efficiency of 42.4% based on LHV (lower heating value) can be achieved. Different parameter studies are performed to analysis system behaviour under different conditions. The analysis show that increasing fuel mass flow from the design point results...

Thermodynamic analysis of a novel tri-generation system based on compressed air energy storage and pneumatic motor

International Nuclear Information System (INIS)

Liu, Jin-Long; Wang, Jian-Hua

2015-01-01

Based on CAES (compressed air energy storage) and PM (pneumatic motor), a novel tri-generation system (heat energy, mechanical energy and cooling power) is proposed in this paper. Both the cheap electricity generated at night and the excess power from undelivered renewable energy due to instability, can be stored as compressed air and hot water by the proposed system. When energy is in great demand, the compressed air stored in this system is released to drive PM to generate mechanical power. The discharged air from PM can be further utilized as valuable cooling power. Compared to conventional CAES systems, the biggest characteristic of the proposed system is that the discharged air usually abandoned is used as cooling power. In order to study the performances of this system, a thermodynamic analysis and an experimental investigation are carried out. The thermodynamic model is validated by the experimental data. Using the validated thermodynamic model, the mechanical energy output, cooling capacity and temperature of discharged air, as well as the efficiency of the system are analyzed. The theoretical analysis indicates that the additional application of discharged air can improve total energy efficiency by 20–30%. Therefore, this system is very worthy of consideration and being popularized. - Highlights: • The proposed system can provide mechanical energy, heat energy and cooling power. • The exhaust air of pneumatic motor is used as cooling power instead of abandoned. • A thermodynamic model of the proposed system is constructed and validated. • The effects of several parameters on system performance are examined. • The proposed system can improve total energy efficiency of CAES system by 20–30%.

A Thermodynamic Point of View on Dark Energy Models

Directory of Open Access Journals (Sweden)

Vincenzo F. Cardone

2017-07-01

Full Text Available We present a conjugate analysis of two different dark energy models, namely the Barboza–Alcaniz parameterization and the phenomenologically-motivated Hobbit model, investigating both their agreement with observational data and their thermodynamical properties. We successfully fit a wide dataset including the Hubble diagram of Type Ia Supernovae, the Hubble rate expansion parameter as measured from cosmic chronometers, the baryon acoustic oscillations (BAO standard ruler data and the Planck distance priors. This analysis allows us to constrain the model parameters, thus pointing at the region of the wide parameters space, which is worth focusing on. As a novel step, we exploit the strong connection between gravity and thermodynamics to further check models’ viability by investigating their thermodynamical quantities. In particular, we study whether the cosmological scenario fulfills the generalized second law of thermodynamics, and moreover, we contrast the two models, asking whether the evolution of the total entropy is in agreement with the expectation for a closed system. As a general result, we discuss whether thermodynamic constraints can be a valid complementary way to both constrain dark energy models and differentiate among rival scenarios.

Learning from Science and Sport - How we, Safety, "Engage with Rigor"

Science.gov (United States)

Herd, A.

2012-01-01

As the world of spaceflight safety is relatively small and potentially inward-looking, we need to be aware of the "outside world". We should then try to remind ourselves to be open to the possibility that data, knowledge or experience from outside of the spaceflight community may provide some constructive alternate perspectives. This paper will assess aspects from two seemingly tangential fields, science and sport, and align these with the world of safety. In doing so some useful insights will be given to the challenges we face and may provide solutions relevant in our everyday (of safety engineering). Sport, particularly a contact sport such as rugby union, requires direct interaction between members of two (opposing) teams. Professional, accurately timed and positioned interaction for a desired outcome. These interactions, whilst an essential part of the game, are however not without their constraints. The rugby scrum has constraints as to the formation and engagement of the two teams. The controlled engagement provides for an interaction between the two teams in a safe manner. The constraints arising from the reality that an incorrect engagement could cause serious injury to members of either team. In academia, scientific rigor is applied to assure that the arguments provided and the conclusions drawn in academic papers presented for publication are valid, legitimate and credible. The scientific goal of the need for rigor may be expressed in the example of achieving a statistically relevant sample size, n, in order to assure analysis validity of the data pool. A failure to apply rigor could then place the entire study at risk of failing to have the respective paper published. This paper will consider the merits of these two different aspects, scientific rigor and sports engagement, and offer a reflective look at how this may provide a "modus operandi" for safety engineers at any level whether at their desks (creating or reviewing safety assessments) or in a

Correct thermodynamic forces in Tsallis thermodynamics: connection with Hill nanothermodynamics

International Nuclear Information System (INIS)

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

2005-01-01

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

Rigorous Line-Based Transformation Model Using the Generalized Point Strategy for the Rectification of High Resolution Satellite Imagery

Directory of Open Access Journals (Sweden)

Kun Hu

2016-09-01

Full Text Available High precision geometric rectification of High Resolution Satellite Imagery (HRSI is the basis of digital mapping and Three-Dimensional (3D modeling. Taking advantage of line features as basic geometric control conditions instead of control points, the Line-Based Transformation Model (LBTM provides a practical and efficient way of image rectification. It is competent to build the mathematical relationship between image space and the corresponding object space accurately, while it reduces the workloads of ground control and feature recognition dramatically. Based on generalization and the analysis of existing LBTMs, a novel rigorous LBTM is proposed in this paper, which can further eliminate the geometric deformation caused by sensor inclination and terrain variation. This improved nonlinear LBTM is constructed based on a generalized point strategy and resolved by least squares overall adjustment. Geo-positioning accuracy experiments with IKONOS, GeoEye-1 and ZiYuan-3 satellite imagery are performed to compare rigorous LBTM with other relevant line-based and point-based transformation models. Both theoretic analysis and experimental results demonstrate that the rigorous LBTM is more accurate and reliable without adding extra ground control. The geo-positioning accuracy of satellite imagery rectified by rigorous LBTM can reach about one pixel with eight control lines and can be further improved by optimizing the horizontal and vertical distribution of control lines.

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...

Optimization of thermal systems based on finite-time thermodynamics and thermoeconomics

Energy Technology Data Exchange (ETDEWEB)

Durmayaz, A. [Istanbul Technical University (Turkey). Department of Mechanical Engineering; Sogut, O.S. [Istanbul Technical University, Maslak (Turkey). Department of Naval Architecture and Ocean Engineering; Sahin, B. [Yildiz Technical University, Besiktas, Istanbul (Turkey). Department of Naval Architecture; Yavuz, H. [Istanbul Technical University, Maslak (Turkey). Institute of Energy

2004-07-01

The irreversibilities originating from finite-time and finite-size constraints are important in the real thermal system optimization. Since classical thermodynamic analysis based on thermodynamic equilibrium do not consider these constraints directly, it is necessary to consider the energy transfer between the system and its surroundings in the rate form. Finite-time thermodynamics provides a fundamental starting point for the optimization of real thermal systems including the fundamental concepts of heat transfer and fluid mechanics to classical thermodynamics. In this study, optimization studies of thermal systems, that consider various objective functions, based on finite-time thermodynamics and thermoeconomics are reviewed. (author)

The Thermodynamics of Internal Combustion Engines: Examples of Insights

Directory of Open Access Journals (Sweden)

Jerald A. Caton

2018-05-01

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

Thermodynamics and economics

International Nuclear Information System (INIS)

Mansson, B.A.

1990-01-01

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

The Thermodynamics of General and Local Anesthesia

Science.gov (United States)

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

2014-05-01

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

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 analysis of solar assisted multi-functional trigeneration system

Directory of Open Access Journals (Sweden)

Önder KIZILKAN

2016-02-01

Full Text Available In this study, modelling and thermodynamic analysis of solar assisted trigeneration system was carried out. The required thermal energy for gas and vapor cycles were supplied from solar tower which is a new concept for gas cycle applications. Additionally, an absorption refrigeration cycle, vapor production process, drying process and water heating process were integrated to the system. Energy and exergy efficiencies of the trigeneration system were determined by the application of first and second law analyses. The results showed that the gas cycle efficiency was found to be 31%, vapor cycle efficiency was found to be 28% and coefficient of performance (COP values of the refrigeration system was found to be 0.77. Also the highest exergy destruction rate was found to be 4154 kW in solar tower.Keywords: Solar tower, Trigeneration, Gas cycle, Vapor cycle, Energy, Exergy

Thermodynamic analysis of the advanced zero emission power plant

Directory of Open Access Journals (Sweden)

Kotowicz Janusz

2016-03-01

Full Text Available The paper presents the structure and parameters of advanced zero emission power plant (AZEP. This concept is based on the replacement of the combustion chamber in a gas turbine by the membrane reactor. The reactor has three basic functions: (i oxygen separation from the air through the membrane, (ii combustion of the fuel, and (iii heat transfer to heat the oxygen-depleted air. In the discussed unit hot depleted air is expanded in a turbine and further feeds a bottoming steam cycle (BSC through the main heat recovery steam generator (HRSG. Flue gas leaving the membrane reactor feeds the second HRSG. The flue gas consist mainly of CO2 and water vapor, thus, CO2 separation involves only the flue gas drying. Results of the thermodynamic analysis of described power plant are presented.

How Individual Scholars Can Reduce the Rigor-Relevance Gap in Management Research

OpenAIRE

Wolf, Joachim; Rosenberg, Timo

2012-01-01

This paper discusses a number of avenues management scholars could follow to reduce the existing gap between scientific rigor and practical relevance without relativizing the importance of the first goal dimension. Such changes are necessary because many management studies do not fully exploit the possibilities to increase their practical relevance while maintaining scientific rigor. We argue that this rigor-relevance gap is not only the consequence of the currently prevailing institutional c...

Application of exergy analysis to the thermodynamical study of operation cycles of diesel engines

Energy Technology Data Exchange (ETDEWEB)

Zellat, M

1987-01-01

To simulate the operation cycle of a diesel engine a general methodology is proposed, called as exergy theory, based on the simultaneous application of the first and second principles of thermodynamics. This analysis accounts for the exergy losses in function of what can be recovered from the second principle and give a more fruitful representation than the pure energy analysis which takes into account only the first principle. The concept of a recovery power turbine RPT, linked to the driving shaft and declutchable is described. The yield increase in nominal power and at half-charge when the RPT is disconnected, is explained by exergy analysis.

Thermodynamic analysis of transcritical CO2 booster refrigeration systems in supermarket

International Nuclear Information System (INIS)

Ge, Y.T.; Tassou, S.A.

2011-01-01

Research highlights: → The CO 2 booster systems are widely applied in supermarket refrigeration. → Control optimisation can improve the performance of the CO 2 refrigeration systems. → The effects of some important parameters on the system performance are examined. → The optimal high-side pressure in the transcritical cycles is established and derived. -- Abstract: Due to less environmental impact, the CO 2 booster refrigeration system has been widely applied in the modern supermarket as a substitute for the conventional R404A multiplex system. However, the performance efficiency of the CO 2 system still requires further improvement in order to save energy; thus, one of the most efficient techniques would be to investigate and employ the optimal controls for refrigerant high side pressures at various operating states. In this paper, the possible parameters affecting system efficiency of the CO 2 system in the transcritical cycle at a higher ambient air temperature are identified through thermodynamic analysis, but cannot be quantified mathematically because of the high non-linearity involved. Instead, sensitive analysis of the system by means of the thermodynamic model is used to examine the effects of parameters including high side refrigerant pressure, ambient air temperature, refrigerant intermediate pressure, and medium and low evaporating temperatures, superheating, effectiveness of suction line heat exchanger, and compressor efficiency on system performance. Consequently, the optimal high side pressure in the transcritical cycle is established and derived as a function of three important parameters consisting of ambient air temperature, the effectiveness of suction line heat exchanger and compressor efficiency. In addition, optimal operating parameters such as the intermediate pressure are also proposed to improve the system performance.

Quantum corrections to thermodynamics of quasitopological black holes

Directory of Open Access Journals (Sweden)

Sudhaker Upadhyay

2017-12-01

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

Onset of rigor mortis is earlier in red muscle than in white muscle.

Science.gov (United States)

Kobayashi, M; Takatori, T; Nakajima, M; Sakurada, K; Hatanaka, K; Ikegaya, H; Matsuda, Y; Iwase, H

2000-01-01

Rigor mortis is thought to be related to falling ATP levels in muscles postmortem. We measured rigor mortis as tension determined isometrically in three rat leg muscles in liquid paraffin kept at 37 degrees C or 25 degrees C--two red muscles, red gastrocnemius (RG) and soleus (SO) and one white muscle, white gastrocnemius (WG). Onset, half and full rigor mortis occurred earlier in RG and SO than in WG both at 37 degrees C and at 25 degrees C even though RG and WG were portions of the same muscle. This suggests that rigor mortis directly reflects the postmortem intramuscular ATP level, which decreases more rapidly in red muscle than in white muscle after death. Rigor mortis was more retarded at 25 degrees C than at 37 degrees C in each type of muscle.

Design of thermodynamic experiments and analyses of thermodynamic relationships

International Nuclear Information System (INIS)

Oezer Arnas, A.

2009-01-01

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

Thermodynamics of ideal quantum gas with fractional statistics in D dimensions.

Science.gov (United States)

Potter, Geoffrey G; Müller, Gerhard; Karbach, Michael

2007-06-01

We present exact and explicit results for the thermodynamic properties (isochores, isotherms, isobars, response functions, velocity of sound) of a quantum gas in dimensions D > or = 1 and with fractional exclusion statistics 0 < or = g < or =1 connecting bosons (g=0) and fermions (g=1) . In D=1 the results are equivalent to those of the Calogero-Sutherland model. Emphasis is given to the crossover between bosonlike and fermionlike features, caused by aspects of the statistical interaction that mimic long-range attraction and short-range repulsion. A phase transition along the isobar occurs at a nonzero temperature in all dimensions. The T dependence of the velocity of sound is in simple relation to isochores and isobars. The effects of soft container walls are accounted for rigorously for the case of a pure power-law potential.

Thermodynamic analysis of a Stirling engine including regenerator dead volume

Energy Technology Data Exchange (ETDEWEB)

Puech, Pascal; Tishkova, Victoria [Universite de Toulouse, UPS, CNRS, CEMES, 29 rue Jeanne Marvig, F-31055 Toulouse (France)

2011-02-15

This paper provides a theoretical investigation on the thermodynamic analysis of a Stirling engine with linear and sinusoidal variations of the volume. The regenerator in a Stirling engine is an internal heat exchanger allowing to reach high efficiency. We used an isothermal model to analyse the net work and the heat stored in the regenerator during a complete cycle. We show that the engine efficiency with perfect regeneration doesn't depend on the regenerator dead volume but this dead volume strongly amplifies the imperfect regeneration effect. An analytical expression to estimate the improvement due to the regenerator has been proposed including the combined effects of dead volume and imperfect regeneration. This could be used at the very preliminary stage of the engine design process. (author)

Photoconductivity of amorphous silicon-rigorous modelling

International Nuclear Information System (INIS)

Brada, P.; Schauer, F.

1991-01-01

It is our great pleasure to express our gratitude to Prof. Grigorovici, the pioneer of the exciting field of amorphous state by our modest contribution to this area. In this paper are presented the outline of the rigorous modelling program of the steady-state photoconductivity in amorphous silicon and related materials. (Author)

An introduction to equilibrium thermodynamics

CERN Document Server

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

1973-01-01

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

Thermodynamics for scientists and engineers

International Nuclear Information System (INIS)

Lim, Gyeong Hui

2011-02-01

This book deals with thermodynamics for scientists and engineers. It consists of 11 chapters, which are concept and background of thermodynamics, the first law of thermodynamics, the second law of thermodynamics and entropy, mathematics related thermodynamics, properties of thermodynamics on pure material, equilibrium, stability of thermodynamics, the basic of compound, phase equilibrium of compound, excess gibbs energy model of compound and activity coefficient model and chemical equilibrium. It has four appendixes on properties of pure materials and thermal mass.

Methods of thermodynamics

CERN Document Server

Reiss, Howard

1997-01-01

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

Topological charged black holes in massive gravity's rainbow and their thermodynamical analysis through various approaches

International Nuclear Information System (INIS)

Hendi, S.H.; Eslam Panah, B.; Panahiyan, S.

2017-01-01

Violation of Lorentz invariancy in the high energy quantum gravity motivates one to consider an energy dependent spacetime with massive deformation of standard general relativity. In this paper, we take into account an energy dependent metric in the context of a massive gravity model to obtain exact solutions. We investigate the geometry of black hole solutions and also calculate the conserved and thermodynamic quantities, which are fully reproduced by the analysis performed with the standard techniques. After examining the validity of the first law of thermodynamics, we conduct a study regarding the effects of different parameters on thermal stability of the solutions. In addition, we employ the relation between cosmological constant and thermodynamical pressure to study the possibility of phase transition. Interestingly, we will show that for the specific configuration considered in this paper, van der Waals like behavior is observed for different topology. In other words, for flat and hyperbolic horizons, similar to spherical horizon, a second order phase transition and van der Waals like behavior are observed. Furthermore, we use geometrical method to construct phase space and study phase transition and bound points for these black holes. Finally, we obtain critical values in extended phase space through the use of a new method.

Topological charged black holes in massive gravity's rainbow and their thermodynamical analysis through various approaches

Directory of Open Access Journals (Sweden)

S.H. Hendi

2017-06-01

Full Text Available Violation of Lorentz invariancy in the high energy quantum gravity motivates one to consider an energy dependent spacetime with massive deformation of standard general relativity. In this paper, we take into account an energy dependent metric in the context of a massive gravity model to obtain exact solutions. We investigate the geometry of black hole solutions and also calculate the conserved and thermodynamic quantities, which are fully reproduced by the analysis performed with the standard techniques. After examining the validity of the first law of thermodynamics, we conduct a study regarding the effects of different parameters on thermal stability of the solutions. In addition, we employ the relation between cosmological constant and thermodynamical pressure to study the possibility of phase transition. Interestingly, we will show that for the specific configuration considered in this paper, van der Waals like behavior is observed for different topology. In other words, for flat and hyperbolic horizons, similar to spherical horizon, a second order phase transition and van der Waals like behavior are observed. Furthermore, we use geometrical method to construct phase space and study phase transition and bound points for these black holes. Finally, we obtain critical values in extended phase space through the use of a new method.

Thermodynamic analysis of processes proceeding on (111) faces of diamond during chemical vapour deposition

International Nuclear Information System (INIS)

Piekarczyk, W.; Prawer, S.

1992-01-01

Chemically vapour deposited diamond is commonly synthesized from activated hydrogen-rich, carbon/hydrogen gas mixtures under conditions which should, from a thermodynamic equilibrium point of view, favour the production of graphite. Much remains to be understood about why diamond, and not graphite, forms under these conditions. However, it is well known that the presence of atomic hydrogen, is crucial to the success of diamond deposition. As part of an attempt to better understand the deposition process, a thermodynamic analysis of the process was performed on diamond (111) faces in hydrogen rich environments. It is shown that the key role of atomic hydrogen is to inhibit the reconstruction of the (111) face to an sp 2 -bonded structure, which would provide a template for graphite, rather than diamond formation. The model correctly predicts experimentally determined trends in growth rate and diamond film quality as a function of methane concentration in the stating gas mixture. 17 refs., 4 figs

Mathematical foundations of thermodynamics

CERN Document Server

Giles, R; Stark, M; Ulam, S

2013-01-01

Mathematical Foundations of Thermodynamics details the core concepts of the mathematical principles employed in thermodynamics. The book discusses the topics in a way that physical meanings are assigned to the theoretical terms. The coverage of the text includes the mechanical systems and adiabatic processes; topological considerations; and equilibrium states and potentials. The book also covers Galilean thermodynamics; symmetry in thermodynamics; and special relativistic thermodynamics. The book will be of great interest to practitioners and researchers of disciplines that deal with thermodyn

Kinetic and thermodynamic analysis of the polymerization of polyurethanes by a rheological method

International Nuclear Information System (INIS)

Lucio, Beatriz; Fuente, José Luis de la

2016-01-01

Graphical abstract: - Highlights: • Kinetic and thermodynamic analysis for the formation of a functional polyurethane (PU) has been carried out. • Rheological parameters were used to obtain the profile of the resin's curing degree. • Kamal-Sourour autocatalytic kinetic model describes well this polyaddition reaction. • A deeper understanding of the mechanism of PU systems has been achieved. • This metallo-PU finds its application in the chemistry of advanced energetic materials. - Abstract: As part of an investigation into the mechanism and chemorheology of linear segmented polyurethane (PU) systems, this paper presents the kinetic and thermodynamic characterization of the reaction between an advanced functional metallo-polyol derivative of hydroxyl-terminated polybutadiene (HTPB), (ferrocenylbutyl)dimethylsilane grafted HTPB, and isophorone diisocyanate (IPDI). The evolution of viscoelastic properties, such as the storage modulus (G′), was recorded in bulk under isothermal conditions at four different temperatures between 50 and 80 °C, and a resin curing degree profile was obtained for this elastic modulus. The use of the Kamal-Sourour autocatalytic kinetic model was proposed, describing the overall curing process perfectly. All the kinetic and thermodynamic parameters, including reaction orders, kinetic constants and activation energy, were determined for the polyaddition reaction under study. A relevant autocatalysis effect, promoted by the urethane group, has been found. The isoconversion method was also used to analyze the variation of the global activation energy with conversion. The global activation energy increases slightly as the curing reaction proceeds with a maximum value reached at approximately 30% conversion. In addition, the Eyring parameters were calculated from the obtained kinetic data.

Kinetic and thermodynamic analysis of the polymerization of polyurethanes by a rheological method

Energy Technology Data Exchange (ETDEWEB)

Lucio, Beatriz; Fuente, José Luis de la, E-mail: fuentegj@inta.es

2016-02-10

Graphical abstract: - Highlights: • Kinetic and thermodynamic analysis for the formation of a functional polyurethane (PU) has been carried out. • Rheological parameters were used to obtain the profile of the resin's curing degree. • Kamal-Sourour autocatalytic kinetic model describes well this polyaddition reaction. • A deeper understanding of the mechanism of PU systems has been achieved. • This metallo-PU finds its application in the chemistry of advanced energetic materials. - Abstract: As part of an investigation into the mechanism and chemorheology of linear segmented polyurethane (PU) systems, this paper presents the kinetic and thermodynamic characterization of the reaction between an advanced functional metallo-polyol derivative of hydroxyl-terminated polybutadiene (HTPB), (ferrocenylbutyl)dimethylsilane grafted HTPB, and isophorone diisocyanate (IPDI). The evolution of viscoelastic properties, such as the storage modulus (G′), was recorded in bulk under isothermal conditions at four different temperatures between 50 and 80 °C, and a resin curing degree profile was obtained for this elastic modulus. The use of the Kamal-Sourour autocatalytic kinetic model was proposed, describing the overall curing process perfectly. All the kinetic and thermodynamic parameters, including reaction orders, kinetic constants and activation energy, were determined for the polyaddition reaction under study. A relevant autocatalysis effect, promoted by the urethane group, has been found. The isoconversion method was also used to analyze the variation of the global activation energy with conversion. The global activation energy increases slightly as the curing reaction proceeds with a maximum value reached at approximately 30% conversion. In addition, the Eyring parameters were calculated from the obtained kinetic data.

A study in cosmology and causal thermodynamics

International Nuclear Information System (INIS)

Oliveira, H.P. de.

1986-01-01

The especial relativity of thermodynamic theories for reversible and irreversible processes in continuous medium is studied. The formalism referring to equilibrium and non-equilibrium configurations, and theories which includes the presence of gravitational fields are discussed. The nebular model in contraction with dissipative processes identified by heat flux and volumetric viscosity is thermodymically analysed. This model is presented by a plane conformal metric. The temperature, pressure, entropy and entropy production within thermodynamic formalism which adopts the hypothesis of local equilibrium, is calculated. The same analysis is carried out considering a causal thermodynamics, which establishes a local entropy of non-equilibrium. Possible homogeneous and isotropic cosmological models, considering the new phenomenological equation for volumetric viscosity deriving from cause thermodynamics are investigated. The found out models have plane spatial section (K=0) and some ones do not have singularities. The energy conditions are verified and the entropy production for physically reasobable models are calculated. (M.C.K.) [pt

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…

A New Perspective on Thermodynamics

CERN Document Server

Lavenda, Bernard H

2010-01-01

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

Reframing Rigor: A Modern Look at Challenge and Support in Higher Education

Science.gov (United States)

Campbell, Corbin M.; Dortch, Deniece; Burt, Brian A.

2018-01-01

This chapter describes the limitations of the traditional notions of academic rigor in higher education, and brings forth a new form of rigor that has the potential to support student success and equity.

Analysis of the thermodynamics of binding of an SH3 domain to proline-rich peptides using a chimeric fusion protein.

Science.gov (United States)

Candel, Adela M; van Nuland, Nico A J; Martin-Sierra, Francisco M; Martinez, Jose C; Conejero-Lara, Francisco

2008-03-14

A complete understanding of the thermodynamic determinants of binding between SH3 domains and proline-rich peptides is crucial to the development of rational strategies for designing ligands for these important domains. Recently we engineered a single-chain chimeric protein by fusing the alpha-spectrin Src homology region 3 (SH3) domain to the decapeptide APSYSPPPPP (p41). This chimera mimics the structural and energetic features of the interaction between SH3 domains and proline-rich peptides. Here we show that analysing the unfolding thermodynamics of single-point mutants of this chimeric fusion protein constitutes a very useful approach to deciphering the thermodynamics of SH3-ligand interactions. To this end, we investigated the contribution of each proline residue of the ligand sequence to the SH3-peptide interaction by producing six single Pro-Ala mutants of the chimeric protein and analysing their unfolding thermodynamics by differential scanning calorimetry (DSC). Structural analyses of the mutant chimeras by circular dichroism, fluorescence and NMR together with NMR-relaxation measurements indicate conformational flexibility at the binding interface, which is strongly affected by the different Pro-Ala mutations. An analysis of the DSC thermograms on the basis of a three-state unfolding model has allowed us to distinguish and separate the thermodynamic magnitudes of the interaction at the binding interface. The model assumes equilibrium between the "unbound" and "bound" states at the SH3-peptide binding interface. The resulting thermodynamic magnitudes classify the different proline residues according to their importance in the interaction as P2 approximately P7 approximately P10>P9 approximately P6>P8, which agrees well with Lim's model for the interaction between SH3 domains and proline-rich peptides. In addition, the thermodynamic signature of the interaction is the same as that usually found for this type of binding, with a strong enthalpy

Thermodynamic analysis of fuels in gas phase: ethanol, gasoline and ethanol - gasoline predicted by DFT method.

Science.gov (United States)

Neto, A F G; Lopes, F S; Carvalho, E V; Huda, M N; Neto, A M J C; Machado, N T

2015-10-01

This paper presents a theoretical study using density functional theory to calculate thermodynamics properties of major molecules compounds at gas phase of fuels like gasoline, ethanol, and gasoline-ethanol mixture in thermal equilibrium on temperature range up to 1500 K. We simulated a composition of gasoline mixture with ethanol for a thorough study of thermal energy, enthalpy, Gibbs free energy, entropy, heat capacity at constant pressure with respect to temperature in order to study the influence caused by ethanol as an additive to gasoline. We used semi-empirical computational methods as well in order to know the efficiency of other methods to simulate fuels through this methodology. In addition, the ethanol influence through the changes in percentage fractions of chemical energy released in combustion reaction and the variations on thermal properties for autoignition temperatures of fuels was analyzed. We verified how ethanol reduces the chemical energy released by gasoline combustion and how at low temperatures the gas phase fuels in thermal equilibrium have similar thermodynamic behavior. Theoretical results were compared with experimental data, when available, and showed agreement. Graphical Abstract Thermodynamic analysis of fuels in gas phase.

Contact symmetries and Hamiltonian thermodynamics

International Nuclear Information System (INIS)

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

2015-01-01

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

Thermal-hydraulic analysis of nuclear reactors

CERN Document Server

Zohuri, Bahman

2015-01-01

This text covers the fundamentals of thermodynamics required to understand electrical power generation systems and the application of these principles to nuclear reactor power plant systems. It is not a traditional general thermodynamics text, per se, but a practical thermodynamics volume intended to explain the fundamentals and apply them to the challenges facing actual nuclear power plants systems, where thermal hydraulics comes to play.  Written in a lucid, straight-forward style while retaining scientific rigor, the content is accessible to upper division undergraduate students and aimed at practicing engineers in nuclear power facilities and engineering scientists and technicians in industry, academic research groups, and national laboratories. The book is also a valuable resource for students and faculty in various engineering programs concerned with nuclear reactors. This book also: Provides extensive coverage of thermal hydraulics with thermodynamics in nuclear reactors, beginning with fundamental ...

Introduction to applied thermodynamics

CERN Document Server

Helsdon, R M; Walker, G E

1965-01-01

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

Twenty lectures on thermodynamics

CERN Document Server

Buchdahl, H A

2013-01-01

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

Quantum Coherence, Time-Translation Symmetry, and Thermodynamics

Directory of Open Access Journals (Sweden)

Matteo Lostaglio

2015-04-01

Full Text Available The first law of thermodynamics imposes not just a constraint on the energy content of systems in extreme quantum regimes but also symmetry constraints related to the thermodynamic processing of quantum coherence. We show that this thermodynamic symmetry decomposes any quantum state into mode operators that quantify the coherence present in the state. We then establish general upper and lower bounds for the evolution of quantum coherence under arbitrary thermal operations, valid for any temperature. We identify primitive coherence manipulations and show that the transfer of coherence between energy levels manifests irreversibility not captured by free energy. Moreover, the recently developed thermomajorization relations on block-diagonal quantum states are observed to be special cases of this symmetry analysis.

Thermodynamic analysis of direct expansion configurations for electricity production by LNG cold energy recovery

International Nuclear Information System (INIS)

Franco, Alessandro; Casarosa, Claudio

2015-01-01

In the present paper, after a brief review of the perspectives of the various schemes proposed for electricity generation from the regasification of Liquefied Natural Gas (LNG), a detailed analysis of two particular direct expansion solutions is proposed. The purpose is to identify the upper level of the energy that can be recovered with the aim of electricity production, using configurations with direct expansion. The analysis developed resorting to a simplified thermodynamic model, shows that using a direct expansion configurations with multistage turbine, values of power production typical of optimized ORC plant configurations (120 kJ for each kg of natural gas that flows through the plant) can be obtained. The development of a direct expansion plant with multistage turbine and internal heat recovery systems could permit to approach the production of more than 160 kJ for each kg of flowing liquefied natural gas. Considering values of the mass flow rate typical of LNG gas stations (e.g. 70 kg/s); this corresponds to an output power ranging between 8.3 MW and 11.4 MW. - Highlights: • Recovery of the cold energy contained in Liquefied Natural Gas. • Thermodynamic analysis of systems for electricity generation in regasification. • Direct expansion solutions with multistage expansion. • Comparison of direct expansion solutions with conventional ORC systems. • Power output in conditions typical of existing LNG regasification terminals

Thermodynamic principles governing metabolic operation : inference, analysis, and prediction

NARCIS (Netherlands)

Niebel, Bastian

2015-01-01

The principles governing metabolic flux are poorly understood. Because diverse organisms show similar metabolic flux patterns, we hypothesized that fundamental thermodynamic constraints might shape cellular metabolism. We developed a constraint-based model for Saccharomyces cerevisiae that included

Thermodynamic holography

Science.gov (United States)

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

2015-01-01

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

Advanced classical thermodynamics

International Nuclear Information System (INIS)

Emanuel, G.

1987-01-01

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

Thermodynamic analysis of a new Marnoch Heat Engine

International Nuclear Information System (INIS)

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

2013-01-01

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

The thermodynamic-buffer enzymes.

Science.gov (United States)

Stucki, J W

1980-08-01

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

Fluctuating Thermodynamics for Biological Processes

Science.gov (United States)

Ham, Sihyun

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

Rigorous modelling of light's intensity angular-profile in Abbe refractometers with absorbing homogeneous fluids

International Nuclear Information System (INIS)

García-Valenzuela, A; Contreras-Tello, H; Márquez-Islas, R; Sánchez-Pérez, C

2013-01-01

We derive an optical model for the light intensity distribution around the critical angle in a standard Abbe refractometer when used on absorbing homogenous fluids. The model is developed using rigorous electromagnetic optics. The obtained formula is very simple and can be used suitably in the analysis and design of optical sensors relying on Abbe type refractometry.

Thermodynamic analysis of a new dual evaporator CO2 transcritical refrigeration cycle

Science.gov (United States)

Abdellaoui, Ezzaalouni Yathreb; Kairouani, Lakdar Kairouani

2017-03-01

In this work, a new dual-evaporator CO2 transcritical refrigeration cycle with two ejectors is proposed. In this new system, we proposed to recover the lost energy of condensation coming off the gas cooler and operate the refrigeration cycle ejector free and enhance the system performance and obtain dual-temperature refrigeration simultaneously. The effects of some key parameters on the thermodynamic performance of the modified cycle are theoretically investigated based on energetic and exergetic analysis. The simulation results for the modified cycle indicate more effective system performance improvement than the single ejector in the CO2 vapor compression cycle using ejector as an expander ranging up to 46%. The exergetic analysis for this system is made. The performance characteristics of the proposed cycle show its promise in dual-evaporator refrigeration system.

Thermodynamic analysis of a new dual evaporator CO2 transcritical refrigeration cycle

Directory of Open Access Journals (Sweden)

Abdellaoui Ezzaalouni Yathreb

2017-03-01

Full Text Available In this work, a new dual-evaporator CO2 transcritical refrigeration cycle with two ejectors is proposed. In this new system, we proposed to recover the lost energy of condensation coming off the gas cooler and operate the refrigeration cycle ejector free and enhance the system performance and obtain dual-temperature refrigeration simultaneously. The effects of some key parameters on the thermodynamic performance of the modified cycle are theoretically investigated based on energetic and exergetic analysis. The simulation results for the modified cycle indicate more effective system performance improvement than the single ejector in the CO2 vapor compression cycle using ejector as an expander ranging up to 46%. The exergetic analysis for this system is made. The performance characteristics of the proposed cycle show its promise in dual-evaporator refrigeration system.

Atmospheric thermodynamics

CERN Document Server

Iribarne, J V

1973-01-01

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

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

Science.gov (United States)

Dreyer, Wolfgang; Guhlke, Clemens; Müller, Rüdiger

2016-09-28

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

Study Design Rigor in Animal-Experimental Research Published in Anesthesia Journals.

Science.gov (United States)

Hoerauf, Janine M; Moss, Angela F; Fernandez-Bustamante, Ana; Bartels, Karsten

2018-01-01

Lack of reproducibility of preclinical studies has been identified as an impediment for translation of basic mechanistic research into effective clinical therapies. Indeed, the National Institutes of Health has revised its grant application process to require more rigorous study design, including sample size calculations, blinding procedures, and randomization steps. We hypothesized that the reporting of such metrics of study design rigor has increased over time for animal-experimental research published in anesthesia journals. PubMed was searched for animal-experimental studies published in 2005, 2010, and 2015 in primarily English-language anesthesia journals. A total of 1466 publications were graded on the performance of sample size estimation, randomization, and blinding. Cochran-Armitage test was used to assess linear trends over time for the primary outcome of whether or not a metric was reported. Interrater agreement for each of the 3 metrics (power, randomization, and blinding) was assessed using the weighted κ coefficient in a 10% random sample of articles rerated by a second investigator blinded to the ratings of the first investigator. A total of 1466 manuscripts were analyzed. Reporting for all 3 metrics of experimental design rigor increased over time (2005 to 2010 to 2015): for power analysis, from 5% (27/516), to 12% (59/485), to 17% (77/465); for randomization, from 41% (213/516), to 50% (243/485), to 54% (253/465); and for blinding, from 26% (135/516), to 38% (186/485), to 47% (217/465). The weighted κ coefficients and 98.3% confidence interval indicate almost perfect agreement between the 2 raters beyond that which occurs by chance alone (power, 0.93 [0.85, 1.0], randomization, 0.91 [0.85, 0.98], and blinding, 0.90 [0.84, 0.96]). Our hypothesis that reported metrics of rigor in animal-experimental studies in anesthesia journals have increased during the past decade was confirmed. More consistent reporting, or explicit justification for absence

Studies on the estimation of the postmortem interval. 3. Rigor mortis (author's transl).

Science.gov (United States)

Suzutani, T; Ishibashi, H; Takatori, T

1978-11-01

The authors have devised a method for classifying rigor mortis into 10 types based on its appearance and strength in various parts of a cadaver. By applying the method to the findings of 436 cadavers which were subjected to medico-legal autopsies in our laboratory during the last 10 years, it has been demonstrated that the classifying method is effective for analyzing the phenomenon of onset, persistence and disappearance of rigor mortis statistically. The investigation of the relationship between each type of rigor mortis and the postmortem interval has demonstrated that rigor mortis may be utilized as a basis for estimating the postmortem interval but the values have greater deviation than those described in current textbooks.

Thermodynamics of diffusion under pressure and stress: Relation to point defect mechanisms

International Nuclear Information System (INIS)

Aziz, M.J.

1997-01-01

A thermodynamic formalism is developed for illuminating the predominant point defect mechanism of self- and impurity diffusion in silicon and is used to provide a rigorous basis for point defect-based interpretation of diffusion experiments in biaxially strained epitaxial layers in the Si endash Ge system. A specific combination of the hydrostatic and biaxial stress dependences of the diffusivity is ±1 times the atomic volume, depending upon whether the predominant mechanism involves vacancies or interstitials. Experimental results for Sb diffusion in biaxially strained Si endash Ge films and ab initio calculations of the activation volume for Sb diffusion by a vacancy mechanism are in quantitative agreement with no free parameters. Key parameters are identified that must be measured or calculated for a quantitative test of interstitial-based mechanisms. copyright 1997 American Institute of Physics

Continuum mechanics and thermodynamics in the Hamilton and the Godunov-type formulations

Science.gov (United States)

Peshkov, Ilya; Pavelka, Michal; Romenski, Evgeniy; Grmela, Miroslav

2018-01-01

Continuum mechanics with dislocations, with the Cattaneo-type heat conduction, with mass transfer, and with electromagnetic fields is put into the Hamiltonian form and into the form of the Godunov-type system of the first-order, symmetric hyperbolic partial differential equations (SHTC equations). The compatibility with thermodynamics of the time reversible part of the governing equations is mathematically expressed in the former formulation as degeneracy of the Hamiltonian structure and in the latter formulation as the existence of a companion conservation law. In both formulations the time irreversible part represents gradient dynamics. The Godunov-type formulation brings the mathematical rigor (the local well posedness of the Cauchy initial value problem) and the possibility to discretize while keeping the physical content of the governing equations (the Godunov finite volume discretization).

Nonequilibrium thermodynamics of interacting tunneling transport: variational grand potential, density functional formulation and nature of steady-state forces

International Nuclear Information System (INIS)

Hyldgaard, P

2012-01-01

The standard formulation of tunneling transport rests on an open-boundary modeling. There, conserving approximations to nonequilibrium Green function or quantum statistical mechanics provide consistent but computational costly approaches; alternatively, the use of density-dependent ballistic-transport calculations (e.g., Lang 1995 Phys. Rev. B 52 5335), here denoted ‘DBT’, provides computationally efficient (approximate) atomistic characterizations of the electron behavior but has until now lacked a formal justification. This paper presents an exact, variational nonequilibrium thermodynamic theory for fully interacting tunneling and provides a rigorous foundation for frozen-nuclei DBT calculations as a lowest-order approximation to an exact nonequilibrium thermodynamic density functional evaluation. The theory starts from the complete electron nonequilibrium quantum statistical mechanics and I identify the operator for the nonequilibrium Gibbs free energy which, generally, must be treated as an implicit solution of the fully interacting many-body dynamics. I demonstrate a minimal property of a functional for the nonequilibrium thermodynamic grand potential which thus uniquely identifies the solution as the exact nonequilibrium density matrix. I also show that the uniqueness-of-density proof from a closely related Lippmann-Schwinger collision density functional theory (Hyldgaard 2008 Phys. Rev. B 78 165109) makes it possible to express the variational nonequilibrium thermodynamic description as a single-particle formulation based on universal electron-density functionals; the full nonequilibrium single-particle formulation improves the DBT method, for example, by a more refined account of Gibbs free energy effects. I illustrate a formal evaluation of the zero-temperature thermodynamic grand potential value which I find is closely related to the variation in the scattering phase shifts and hence to Friedel density oscillations. This paper also discusses the

Upgrading of syngas derived from biomass gasification: A thermodynamic analysis

International Nuclear Information System (INIS)

Haryanto, Agus; Fernando, Sandun D.; Pordesimo, Lester O.; Adhikari, Sushil

2009-01-01

Hydrogen yields in the syngas produced from non-catalytic biomass gasification are generally low. The hydrogen fraction, however, can be increased by converting CO, CH 4 , higher hydrocarbons, and tar in a secondary reactor downstream. This paper discusses thermodynamic limits of the synthesis gas upgrading process. The method used in this process is minimization of Gibbs free energy function. The analysis is performed for temperature ranges from 400 to 1300 K, pressure of 1-10 atm (0.1-1 MPa), and different carbon to steam ratios. The study concludes that to get optimum H 2 yields, with negligible CH 4 and coke formation, upgrading syngas is best practiced at a temperature range of 900-1100 K. At these temperatures, H 2 could be possibly increased by 43-124% of its generally observed values at the gasifier exit. The analysis revealed that increasing steam resulted in a positive effect. The study also concluded that increasing pressure from 1 to 3 atm can be applied at a temperature >1000 K to further increase H 2 yields.

Upgrading of syngas derived from biomass gasification: A thermodynamic analysis

Energy Technology Data Exchange (ETDEWEB)

Haryanto, Agus [Agricultural and Biological Engineering Department, Mississippi State University, 130 Creelman St., Mississippi State, MS 39762 (United States); Agricultural Engineering Department, University of Lampung, Jl. Sumantri Brojonegoro No. 1, Bandar Lampung 35145 (Indonesia); Fernando, Sandun D. [Biological and Agricultural Engineering Department, Texas A and M University, 2117 TAMU College Station, TX 77843-2117 (United States); Pordesimo, Lester O. [Agricultural and Biological Engineering Department, Mississippi State University, 130 Creelman St., Mississippi State, MS 39762 (United States); Adhikari, Sushil [Biosystems Engineering Department, Auburn University, 215 Tom Corley Building, Auburn, AL 36849-5417 (United States)

2009-05-15

Hydrogen yields in the syngas produced from non-catalytic biomass gasification are generally low. The hydrogen fraction, however, can be increased by converting CO, CH{sub 4}, higher hydrocarbons, and tar in a secondary reactor downstream. This paper discusses thermodynamic limits of the synthesis gas upgrading process. The method used in this process is minimization of Gibbs free energy function. The analysis is performed for temperature ranges from 400 to 1300 K, pressure of 1-10 atm (0.1-1 MPa), and different carbon to steam ratios. The study concludes that to get optimum H{sub 2} yields, with negligible CH{sub 4} and coke formation, upgrading syngas is best practiced at a temperature range of 900-1100 K. At these temperatures, H{sub 2} could be possibly increased by 43-124% of its generally observed values at the gasifier exit. The analysis revealed that increasing steam resulted in a positive effect. The study also concluded that increasing pressure from 1 to 3 atm can be applied at a temperature >1000 K to further increase H{sub 2} yields. (author)

Thermodynamical Aspects of Modified Holographic Dark Energy Model

International Nuclear Information System (INIS)

Li Hui; Zhang Yi

2014-01-01

We investigate the unified first law and the generalized second law in a modified holographic dark energy model. The thermodynamical analysis on the apparent horizon can work and the corresponding entropy formula is extracted from the systematic algorithm. The entropy correction term depends on the extra-dimension number of the brane as expected, but the interplay between the correction term and the extra dimensions is more complicated. With the unified first law of thermodynamics well-founded, the generalized second law of thermodynamics is discussed and it is found that the second law can be violated in certain circumstances. Particularly, if the number of the extra dimensions is larger than one, the generalized law of thermodynamics is always satisfied; otherwise, the validity of the second law can only be guaranteed with the Hubble radius greatly smaller than the crossover scale r c of the 5-dimensional DGP model. (geophysics, astronomy, and astrophysics)

Solvation Structure and Thermodynamic Mapping (SSTMap): An Open-Source, Flexible Package for the Analysis of Water in Molecular Dynamics Trajectories.

Science.gov (United States)

Haider, Kamran; Cruz, Anthony; Ramsey, Steven; Gilson, Michael K; Kurtzman, Tom

2018-01-09

We have developed SSTMap, a software package for mapping structural and thermodynamic water properties in molecular dynamics trajectories. The package introduces automated analysis and mapping of local measures of frustration and enhancement of water structure. The thermodynamic calculations are based on Inhomogeneous Fluid Solvation Theory (IST), which is implemented using both site-based and grid-based approaches. The package also extends the applicability of solvation analysis calculations to multiple molecular dynamics (MD) simulation programs by using existing cross-platform tools for parsing MD parameter and trajectory files. SSTMap is implemented in Python and contains both command-line tools and a Python module to facilitate flexibility in setting up calculations and for automated generation of large data sets involving analysis of multiple solutes. Output is generated in formats compatible with popular Python data science packages. This tool will be used by the molecular modeling community for computational analysis of water in problems of biophysical interest such as ligand binding and protein function.

Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS) Users' Workshop Presentations

Science.gov (United States)

Litt, Jonathan S. (Compiler)

2018-01-01

NASA Glenn Research Center hosted a Users' Workshop on the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS) on August 21, 2017. The objective of this workshop was to update the user community on the latest features of T-MATS, and to provide a forum to present work performed using T-MATS. Presentations highlighted creative applications and the development of new features and libraries, and emphasized the flexibility and simulation power of T-MATS.

Rigor mortis in an unusual position: Forensic considerations.

Science.gov (United States)

D'Souza, Deepak H; Harish, S; Rajesh, M; Kiran, J

2011-07-01

We report a case in which the dead body was found with rigor mortis in an unusual position. The dead body was lying on its back with limbs raised, defying gravity. Direction of the salivary stains on the face was also defying the gravity. We opined that the scene of occurrence of crime is unlikely to be the final place where the dead body was found. The clues were revealing a homicidal offence and an attempt to destroy the evidence. The forensic use of 'rigor mortis in an unusual position' is in furthering the investigations, and the scientific confirmation of two facts - the scene of death (occurrence) is different from the scene of disposal of dead body, and time gap between the two places.

Thermodynamics of accuracy in kinetic proofreading: dissipation and efficiency trade-offs

International Nuclear Information System (INIS)

Rao, Riccardo; Peliti, Luca

2015-01-01

The high accuracy exhibited by biological information transcription processes is due to kinetic proofreading, i.e. by a mechanism which reduces the error rate of the information-handling process by driving it out of equilibrium. We provide a consistent thermodynamic description of enzyme-assisted assembly processes involving competing substrates, in a master equation framework. We introduce and evaluate a measure of the efficiency based on rigorous non-equilibrium inequalities. The performance of several proofreading models are thus analyzed and the related time, dissipation and efficiency versus error trade-offs exhibited for different discrimination regimes. We finally introduce and analyze in the same framework a simple model which takes into account correlations between consecutive enzyme-assisted assembly steps. This work highlights the relevance of the distinction between energetic and kinetic discrimination regimes in enzyme-substrate interactions. (paper)

Elemental transport coefficients in viscous plasma flows near local thermodynamic equilibrium

International Nuclear Information System (INIS)

Orsini, Alessio; Kustova, Elena V.

2009-01-01

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

Pyrolysis kinetics and thermodynamic parameters of castor (Ricinus communis) residue using thermogravimetric analysis.

Science.gov (United States)

Kaur, Ravneet; Gera, Poonam; Jha, Mithilesh Kumar; Bhaskar, Thallada

2018-02-01

Castor plant is a fast-growing, perennial shrub from Euphorbiaceae family. More than 50% of the residue is generated from its stems and leaves. The main aim of this work is to study the pyrolytic characteristics, kinetics and thermodynamic properties of castor residue. The TGA experiments were carried out from room temperature to 900 °C under an inert atmosphere at different heating rates of 5, 10, 15, 20, 30 and 40 °C/min. The kinetic analysis was carried using different models namely Kissinger, Flynn-Wall-Ozawa (FWO) and Kissinger-Akahira-Sunose (KAS). The average E ɑ calculated by FWO and KAS methods were 167.10 and 165.86 kJ/mole respectively. Gibbs free energy varied from 150.62-154.33 to 150.59-154.65 kJ/mol for FWO and KAS respectively. The HHV of castor residue was 14.43 MJ/kg, considered as potential feedstock for bio-energy production. Kinetic and thermodynamic results will be useful input for the design of pyrolytic process using castor residue as feedstock. Copyright © 2017 Elsevier Ltd. All rights reserved.

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 performance analysis of a fuel cell trigeneration system integrated with solar-assisted methanol reforming

International Nuclear Information System (INIS)

Wang, Jiangjiang; Wu, Jing; Xu, Zilong; Li, Meng

2017-01-01

Highlights: • Propose a fuel cell trigeneration system integrated with solar-assisted methanol reforming. • Optimize the reaction parameters of methanol steam reforming. • Present the energy and exergy analysis under design and off-design work conditions. • Analyze the contributions of solar energy to the trigeneration system. - Abstract: A solar-assisted trigeneration system for producing electricity, cooling, and heating simultaneously is an alternative scheme to improve energy efficiency and boost renewable energy. This paper proposes a phosphoric acid fuel cell trigeneration system integrated with methanol and steam reforming assisted by solar thermal energy. The trigeneration system consists of a solar heat collection subsystem, methanol steam reforming subsystem, fuel cell power generation subsystem, and recovered heat utilization subsystem. Their respective thermodynamic models are constructed to simulate the system input/output characteristics, and energy and exergy efficiencies are employed to evaluate the system thermodynamic performances. The contribution of solar energy to the system is analyzed using solar energy/exergy share. Through the simulation and analysis of methanol and steam reforming reactions, the optimal reaction pressure, temperature, and methanol to water ratio are obtained to improve the flow rate and content of produced hydrogen. The thermodynamic simulations of the trigeneration system show that the system energy efficiencies at the summer and winter design work conditions are 73.7% and 51.7%, while its exergy efficiencies are 18.8% and 26.1%, respectively. When the solar radiation intensity is different from the design work condition, the total energy and exergy efficiencies in winter decrease approximately by 4.7% and 2.2%, respectively, due to the decrease in solar heat collection efficiency. This proposed novel trigeneration system complemented by solar heat energy and methanol chemical energy is favorable for improving the

Ideal thermodynamic processes of oscillatory-flow regenerative engines will go to ideal stirling cycle?

Science.gov (United States)

Luo, Ercang

2012-06-01

This paper analyzes the thermodynamic cycle of oscillating-flow regenerative machines. Unlike the classical analysis of thermodynamic textbooks, the assumptions for pistons' movement limitations are not needed and only ideal flowing and heat transfer should be maintained in our present analysis. Under such simple assumptions, the meso-scale thermodynamic cycles of each gas parcel in typical locations of a regenerator are analyzed. It is observed that the gas parcels in the regenerator undergo Lorentz cycle in different temperature levels, whereas the locus of all gas parcels inside the regenerator is the Ericson-like thermodynamic cycle. Based on this new finding, the author argued that ideal oscillating-flow machines without heat transfer and flowing losses is not the Stirling cycle. However, this new thermodynamic cycle can still achieve the same efficiency of the Carnot heat engine and can be considered a new reversible thermodynamic cycle under two constant-temperature heat sinks.

Effect of Pre-rigor Salting Levels on Physicochemical and Textural Properties of Chicken Breast Muscles

Science.gov (United States)

Choi, Yun-Sang

2015-01-01

This study was conducted to evaluate the effect of pre-rigor salting level (0-4% NaCl concentration) on physicochemical and textural properties of pre-rigor chicken breast muscles. The pre-rigor chicken breast muscles were de-boned 10 min post-mortem and salted within 25 min post-mortem. An increase in pre-rigor salting level led to the formation of high ultimate pH of chicken breast muscles at post-mortem 24 h. The addition of minimum of 2% NaCl significantly improved water holding capacity, cooking loss, protein solubility, and hardness when compared to the non-salting chicken breast muscle (psalting level caused the inhibition of myofibrillar protein degradation and the acceleration of lipid oxidation. However, the difference in NaCl concentration between 3% and 4% had no great differences in the results of physicochemical and textural properties due to pre-rigor salting effects (p>0.05). Therefore, our study certified the pre-rigor salting effect of chicken breast muscle salted with 2% NaCl when compared to post-rigor muscle salted with equal NaCl concentration, and suggests that the 2% NaCl concentration is minimally required to ensure the definite pre-rigor salting effect on chicken breast muscle. PMID:26761884

Effect of Pre-rigor Salting Levels on Physicochemical and Textural Properties of Chicken Breast Muscles.

Science.gov (United States)

Kim, Hyun-Wook; Hwang, Ko-Eun; Song, Dong-Heon; Kim, Yong-Jae; Ham, Youn-Kyung; Yeo, Eui-Joo; Jeong, Tae-Jun; Choi, Yun-Sang; Kim, Cheon-Jei

2015-01-01

This study was conducted to evaluate the effect of pre-rigor salting level (0-4% NaCl concentration) on physicochemical and textural properties of pre-rigor chicken breast muscles. The pre-rigor chicken breast muscles were de-boned 10 min post-mortem and salted within 25 min post-mortem. An increase in pre-rigor salting level led to the formation of high ultimate pH of chicken breast muscles at post-mortem 24 h. The addition of minimum of 2% NaCl significantly improved water holding capacity, cooking loss, protein solubility, and hardness when compared to the non-salting chicken breast muscle (prigor salting level caused the inhibition of myofibrillar protein degradation and the acceleration of lipid oxidation. However, the difference in NaCl concentration between 3% and 4% had no great differences in the results of physicochemical and textural properties due to pre-rigor salting effects (p>0.05). Therefore, our study certified the pre-rigor salting effect of chicken breast muscle salted with 2% NaCl when compared to post-rigor muscle salted with equal NaCl concentration, and suggests that the 2% NaCl concentration is minimally required to ensure the definite pre-rigor salting effect on chicken breast muscle.

Thermodynamic and structural characteristics of cement minerals at elevated temperature

International Nuclear Information System (INIS)

Bruton, C.J.; Meike, A.; Viani, B.E.; Martin, S.; Phillips, B.L.

1994-05-01

We have instituted an experimental and including program designed to elucidate the structural and thermodynamic response of cement minerals to elevated temperature. Components of the program involve: (a) synthesis of hydrated Ca-silicates; (b) structural analysis of cement phases induced by heating and dehydration/rehydration; (c) mechanistic and thermodynamic descriptions of the hydration/dehydration behavior of hydrated Ca-silicates as a function of temperature, pressure and relative humidity; (d) study of naturally occurring hydrated Ca-silicates; and (e) measurements of thermodynamic data for hydrated Ca-silicates

Thermodynamic modeling of the Mg-Al-Ca system

Energy Technology Data Exchange (ETDEWEB)

Janz, A.; Groebner, J. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany); Cao, H.; Zhu, J.; Chang, Y.A. [Department of Materials Science and Engineering, University of Wisconsin, 1509 University Ave., Madison, WI 53706 (United States); Schmid-Fetzer, R. [Clausthal University of Technology, Institute of Metallurgy, Robert-Koch-Str. 42, D-38678 Clausthal-Zellerfeld (Germany)], E-mail: schmid-fetzer@tu-clausthal.de

2009-02-15

A thermodynamic model has been developed that provides a quantitative description for a wide area of the Mg-Al-Ca system. All available experimental data plus new key experiments using differential scanning calorimetry/differential thermal analysis have been considered to create a dataset which reproduces the primary crystallizing phases, the extensive ternary solubilities of binary phases and the ternary C36 Laves phase. This enables validated thermodynamic calculations in various areas of this ternary system.

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 analysis of transcritical CO{sub 2} booster refrigeration systems in supermarket

Energy Technology Data Exchange (ETDEWEB)

Ge, Y.T., E-mail: yunting.ge@brunel.ac.u [Mechanical Engineering, School of Engineering and Design, Brunel University, Uxbridge, Middlesex UB8 3PH (United Kingdom); Tassou, S.A. [Mechanical Engineering, School of Engineering and Design, Brunel University, Uxbridge, Middlesex UB8 3PH (United Kingdom)

2011-04-15

Research highlights: {yields} The CO{sub 2} booster systems are widely applied in supermarket refrigeration. {yields} Control optimisation can improve the performance of the CO{sub 2} refrigeration systems. {yields} The effects of some important parameters on the system performance are examined. {yields} The optimal high-side pressure in the transcritical cycles is established and derived. -- Abstract: Due to less environmental impact, the CO{sub 2} booster refrigeration system has been widely applied in the modern supermarket as a substitute for the conventional R404A multiplex system. However, the performance efficiency of the CO{sub 2} system still requires further improvement in order to save energy; thus, one of the most efficient techniques would be to investigate and employ the optimal controls for refrigerant high side pressures at various operating states. In this paper, the possible parameters affecting system efficiency of the CO{sub 2} system in the transcritical cycle at a higher ambient air temperature are identified through thermodynamic analysis, but cannot be quantified mathematically because of the high non-linearity involved. Instead, sensitive analysis of the system by means of the thermodynamic model is used to examine the effects of parameters including high side refrigerant pressure, ambient air temperature, refrigerant intermediate pressure, and medium and low evaporating temperatures, superheating, effectiveness of suction line heat exchanger, and compressor efficiency on system performance. Consequently, the optimal high side pressure in the transcritical cycle is established and derived as a function of three important parameters consisting of ambient air temperature, the effectiveness of suction line heat exchanger and compressor efficiency. In addition, optimal operating parameters such as the intermediate pressure are also proposed to improve the system performance.

Thermodynamics analysis of the rare earth metals and their alloys with indium in solid state

International Nuclear Information System (INIS)

Vassiliev, V.P.; Benaissa, Ablazeze; Taldrik, A.F.

2013-01-01

Graphical abstract: Gibbs energies of formation vs. RE atomic numbers in REIn 3 . Highlights: •Set of experimental values was collected for REIn 3 phases. •Thermodynamic functions of formation were calculated at 298 K and 775 K. •Experimental and calculated values were compared. -- Abstract: Nonlinear correlative analyses between thermodynamic and some physico-chemical properties of rare-earth metals (RE) and their alloys with indium are performed for the isostructural phases RE and REIn 3 . The thermodynamics values (Gibbs energies of formation, enthalpies of formation, and entropies of formation at 298 K and 775 K and standard entropies) of LnIn 3 phases are calculated on the basis of calorimetry and potentiometry results. The proposed correlation between physico-chemical and thermodynamic properties agrees for all the isostructural phases REX (X are others elements of the periodic table). The resulting thermodynamic data are recommended for metallurgical handbook

Thermodynamic analysis of direct internal reforming of methane and butane in proton and oxygen conducting fuel cells

NARCIS (Netherlands)

Biesheuvel, P.M.; Geerlings, J.J.C.

2008-01-01

We present results of a thermodynamic analysis of direct internal reforming fuel cells, based on either a proton conducting fuel cell (FC-H+) or an oxygen ion conducting fuel cell (FC-O2-). We analyze the option of methane as fuel as well as butane. The model self-consistently combines all chemical

The Integration of Plant Sample Analysis, Laboratory Studies, and Thermodynamic Modeling to Predict Slag-Matte Equilibria in Nickel Sulfide Converting

Science.gov (United States)

Hidayat, Taufiq; Shishin, Denis; Grimsey, David; Hayes, Peter C.; Jak, Evgueni

2018-02-01

The Kalgoorlie Nickel Smelter (KNS) produces low Fe, low Cu nickel matte in its Peirce-Smith converter operations. To inform process development in the plant, new fundamental data are required on the effect of CaO in slag on the distribution of arsenic between slag and matte. A combination of plant sample analysis, high-temperature laboratory experiments, and thermodynamic modeling was carried out to identify process conditions in the converter and to investigate the effect of slag composition on the chemical behavior of the system. The high-temperature experiments involved re-equilibration of industrial matte-slag-lime samples at 1498 K (1225 °C) and P(SO2) = 0.12 atm on a magnetite/quartz substrate, rapid quenching in water, and direct measurement of phase compositions using electron probe X-ray microanalysis (EPMA) and laser ablation-inductively coupled plasma-mass spectrometry (LA-ICP-MS). A private thermodynamic database for the Ca-Cu-Fe-Mg-Ni-O-S-Si-(As) system was used together with the FactSage software package to assist in the analysis. Thermodynamic predictions combined with plant sample characterization and the present experimental data provide a quantitative basis for the analysis of the effect of CaO fluxing on the slag-matte thermochemistry during nickel sulfide converting, in particular on the spinel liquidus and the distribution of elements between slag and matte as a function of CaO addition.

Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method

Directory of Open Access Journals (Sweden)

Maziar Heidari

2018-03-01

Full Text Available The spatial block analysis (SBA method has been introduced to efficiently extrapolate thermodynamic quantities from finite-size computer simulations of a large variety of physical systems. In the particular case of simple liquids and liquid mixtures, by subdividing the simulation box into blocks of increasing size and calculating volume-dependent fluctuations of the number of particles, it is possible to extrapolate the bulk isothermal compressibility and Kirkwood–Buff integrals in the thermodynamic limit. Only by explicitly including finite-size effects, ubiquitous in computer simulations, into the SBA method, the extrapolation to the thermodynamic limit can be achieved. In this review, we discuss two of these finite-size effects in the context of the SBA method due to (i the statistical ensemble and (ii the finite integration domains used in computer simulations. To illustrate the method, we consider prototypical liquids and liquid mixtures described by truncated and shifted Lennard–Jones (TSLJ potentials. Furthermore, we show some of the most recent developments of the SBA method, in particular its use to calculate chemical potentials of liquids in a wide range of density/concentration conditions.

Thermodynamic Analysis of a Supercritical Mercury Power Cycle

Energy Technology Data Exchange (ETDEWEB)

Roberts, Jr, A S

1969-04-15

An heat engine is considered which employs supercritical mercury as the working fluid and a magnetohydrodynamic (MHD) generator for thermal to electrical energy conversion. The main thrust of the paper is power cycle thermodynamics, where constraints are imposed by utilizing a MHD generator operating between supercritical, electrically conducting states of the working fluid; and, pump work is accomplished with liquid mercury. The temperature range is approximately 300 to 2200 K and system pressure is > 1,500 atm. Equilibrium and transport properties are carefully considered since these are known to vary radically in the vicinity of the critical point, which is found near the supercritical states of interest. A maximum gross plant efficiency is 20% with a regenerator effectiveness of 90% and greater, a cycle pressure ratio of two, and with highly efficient pump and generator. Certain specified cycle irreversibilities and others such as heat losses and heat exchanger pressure drops, which are not accounted for explicitly, reduce the gross plant efficiency to a few per cent. Experimental efforts aimed at practical application of the power cycle are discouraged by the marginal thermodynamic performance predicted by this study, unless such applications are insensitive to gross cycle efficiency.

Thermodynamic Analysis of a Supercritical Mercury Power Cycle

International Nuclear Information System (INIS)

Roberts, A.S. Jr.

1969-04-01

An heat engine is considered which employs supercritical mercury as the working fluid and a magnetohydrodynamic (MHD) generator for thermal to electrical energy conversion. The main thrust of the paper is power cycle thermodynamics, where constraints are imposed by utilizing a MHD generator operating between supercritical, electrically conducting states of the working fluid; and, pump work is accomplished with liquid mercury. The temperature range is approximately 300 to 2200 K and system pressure is > 1,500 atm. Equilibrium and transport properties are carefully considered since these are known to vary radically in the vicinity of the critical point, which is found near the supercritical states of interest. A maximum gross plant efficiency is 20% with a regenerator effectiveness of 90% and greater, a cycle pressure ratio of two, and with highly efficient pump and generator. Certain specified cycle irreversibilities and others such as heat losses and heat exchanger pressure drops, which are not accounted for explicitly, reduce the gross plant efficiency to a few per cent. Experimental efforts aimed at practical application of the power cycle are discouraged by the marginal thermodynamic performance predicted by this study, unless such applications are insensitive to gross cycle efficiency

A Hamiltonian approach to Thermodynamics

Energy Technology Data Exchange (ETDEWEB)

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

2016-10-15

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

A Hamiltonian approach to Thermodynamics

International Nuclear Information System (INIS)

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

2016-01-01

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

Treatise on irreversible and statistical thermodynamics an introduction to nonclassical thermodynamics

CERN Document Server

Yourgrau, Wolfgang; Raw, Gough

2002-01-01

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

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

African Journals Online (AJOL)

Agriculture/Synergetic Innovation Center of Food Safety and Nutrition, Nanjing ... Purpose: To undertake comparative kinetic and thermodynamic analyses of the interaction of bovine ..... efficacy evaluation of anti-cancer drugs in apoptosis.

Chemical Thermodynamics Vol. 12 - Chemical Thermodynamics of tin

International Nuclear Information System (INIS)

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

2012-01-01

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

Moving beyond Data Transcription: Rigor as Issue in Representation of Digital Literacies

Science.gov (United States)

Hagood, Margaret Carmody; Skinner, Emily Neil

2015-01-01

Rigor in qualitative research has been based upon criteria of credibility, dependability, confirmability, and transferability. Drawing upon articles published during our editorship of the "Journal of Adolescent & Adult Literacy," we illustrate how the use of digital data in research study reporting may enhance these areas of rigor,…

Communication: Thermodynamic analysis of critical conditions of polymer adsorption

International Nuclear Information System (INIS)

Cimino, R.; Neimark, A. V.; Rasmussen, C. J.

2013-01-01

Polymer adsorption to solid surfaces is a ubiquitous phenomenon, which has attracted long-lasting attention. Dependent on the competition between the polymer-solid adsorption and polymer-solvent solvation interactions, a chain may assume either 3d solvated conformation when adsorption is weak or 2d adsorbed conformation when adsorption is strong. The transition between these conformations occurring upon variation of adsorption strength is quite sharp, and in the limit of “infinite” chain length, can be treated as a critical phenomenon. We suggest a novel thermodynamic definition of the critical conditions of polymer adsorption from the equality of incremental chemical potentials of adsorbed and free chains. We show with the example of freely jointed Lennard-Jones chains tethered to an adsorbing surface that this new definition provides a link between thermodynamic and geometrical features of adsorbed chains and is in line with classical scaling relationships for the fraction of adsorbed monomers, chain radii of gyration, and free energy

Communication: Thermodynamic analysis of critical conditions of polymer adsorption

Energy Technology Data Exchange (ETDEWEB)

Cimino, R.; Neimark, A. V., E-mail: aneimark@rutgers.edu [Department of Chemical and Biochemical Engineering, Rutgers, The State University of New Jersey, 98 Brett Road, Piscataway, New Jersey 08854 (United States); Rasmussen, C. J. [DuPont Central Research and Development, Corporate Center for Analytical Sciences, Macromolecular Characterization, Route 141 and Henry Clay, Wilmington, Delaware 19803 (United States)

2013-11-28

Polymer adsorption to solid surfaces is a ubiquitous phenomenon, which has attracted long-lasting attention. Dependent on the competition between the polymer-solid adsorption and polymer-solvent solvation interactions, a chain may assume either 3d solvated conformation when adsorption is weak or 2d adsorbed conformation when adsorption is strong. The transition between these conformations occurring upon variation of adsorption strength is quite sharp, and in the limit of “infinite” chain length, can be treated as a critical phenomenon. We suggest a novel thermodynamic definition of the critical conditions of polymer adsorption from the equality of incremental chemical potentials of adsorbed and free chains. We show with the example of freely jointed Lennard-Jones chains tethered to an adsorbing surface that this new definition provides a link between thermodynamic and geometrical features of adsorbed chains and is in line with classical scaling relationships for the fraction of adsorbed monomers, chain radii of gyration, and free energy.

Applied chemical engineering thermodynamics

CERN Document Server

Tassios, Dimitrios P

1993-01-01

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

Entransy loss in thermodynamic processes and its application

International Nuclear Information System (INIS)

Cheng, Xuetao; Liang, Xingang

2012-01-01

The entransy theory has been developed for heat transfer optimization. This paper extends it to optimize thermodynamic processes. The entransy balance equation of thermodynamic processes is introduced, with which the concept of entransy loss is developed. For the Carnot cycle and the irreversible thermodynamic processes where the working fluid is heated by the streams with prescribed inlet temperatures and specific capacity flow rates, we find that the maximum entransy loss leads to the maximum output work, which is the maximum principle of entransy loss in thermodynamic processes. However, the entropy generation cannot describe the change of the output work for the Carnot cycle. Therefore, the concept of entransy loss could describe the performance of thermodynamic processes. Then, the principle is used to optimize the thermodynamic processes of heat exchanger groups and the design of the irreversible Brayton cycle. For these problems, the operation parameters are optimized to get the maximum output work by calculating the maximum entransy loss when the entransy loss induced by dumping the used streams into the environment is considered. The analysis of the air conditioning system for room heating with heat–work conversion processes demonstrates the entransy loss has a direct relation with the input heat. -- Highlights: ► The entransy balance equation of thermodynamic processes is introduced. ► The concept of entransy loss is developed. ► The maximum entransy loss corresponds to the maximum output work. ► Examples show that entransy loss can be used to optimize heat–work conversion.

Increased scientific rigor will improve reliability of research and effectiveness of management

Science.gov (United States)

Sells, Sarah N.; Bassing, Sarah B.; Barker, Kristin J.; Forshee, Shannon C.; Keever, Allison; Goerz, James W.; Mitchell, Michael S.

2018-01-01

Rigorous science that produces reliable knowledge is critical to wildlife management because it increases accurate understanding of the natural world and informs management decisions effectively. Application of a rigorous scientific method based on hypothesis testing minimizes unreliable knowledge produced by research. To evaluate the prevalence of scientific rigor in wildlife research, we examined 24 issues of the Journal of Wildlife Management from August 2013 through July 2016. We found 43.9% of studies did not state or imply a priori hypotheses, which are necessary to produce reliable knowledge. We posit that this is due, at least in part, to a lack of common understanding of what rigorous science entails, how it produces more reliable knowledge than other forms of interpreting observations, and how research should be designed to maximize inferential strength and usefulness of application. Current primary literature does not provide succinct explanations of the logic behind a rigorous scientific method or readily applicable guidance for employing it, particularly in wildlife biology; we therefore synthesized an overview of the history, philosophy, and logic that define scientific rigor for biological studies. A rigorous scientific method includes 1) generating a research question from theory and prior observations, 2) developing hypotheses (i.e., plausible biological answers to the question), 3) formulating predictions (i.e., facts that must be true if the hypothesis is true), 4) designing and implementing research to collect data potentially consistent with predictions, 5) evaluating whether predictions are consistent with collected data, and 6) drawing inferences based on the evaluation. Explicitly testing a priori hypotheses reduces overall uncertainty by reducing the number of plausible biological explanations to only those that are logically well supported. Such research also draws inferences that are robust to idiosyncratic observations and

Rigorous analysis of image force barrier lowering in bounded geometries: application to semiconducting nanowires

International Nuclear Information System (INIS)

Calahorra, Yonatan; Mendels, Dan; Epstein, Ariel

2014-01-01

Bounded geometries introduce a fundamental problem in calculating the image force barrier lowering of metal-wrapped semiconductor systems. In bounded geometries, the derivation of the barrier lowering requires calculating the reference energy of the system, when the charge is at the geometry center. In the following, we formulate and rigorously solve this problem; this allows combining the image force electrostatic potential with the band diagram of the bounded geometry. The suggested approach is applied to spheres as well as cylinders. Furthermore, although the expressions governing cylindrical systems are complex and can only be evaluated numerically, we present analytical approximations for the solution, which allow easy implementation in calculated band diagrams. The results are further used to calculate the image force barrier lowering of metal-wrapped cylindrical nanowires; calculations show that although the image force potential is stronger than that of planar systems, taking the complete band-structure into account results in a weaker effect of barrier lowering. Moreover, when considering small diameter nanowires, we find that the electrostatic effects of the image force exceed the barrier region, and influence the electronic properties of the nanowire core. This study is of interest to the nanowire community, and in particular for the analysis of nanowire I−V measurements where wrapped or omega-shaped metallic contacts are used. (paper)

Trends in Methodological Rigor in Intervention Research Published in School Psychology Journals

Science.gov (United States)

Burns, Matthew K.; Klingbeil, David A.; Ysseldyke, James E.; Petersen-Brown, Shawna

2012-01-01

Methodological rigor in intervention research is important for documenting evidence-based practices and has been a recent focus in legislation, including the No Child Left Behind Act. The current study examined the methodological rigor of intervention research in four school psychology journals since the 1960s. Intervention research has increased…

Thermodynamics of gravitationally induced particle creation scenario in DGP braneworld

Energy Technology Data Exchange (ETDEWEB)

Jawad, Abdul; Rani, Shamaila; Rafique, Salman [COMSATS Institute of Information Technology, Department of Mathematics, Lahore (Pakistan)

2018-01-15

In this paper, we discuss the thermodynamical analysis for gravitationally induced particle creation scenario in the framework of DGP braneworld model. For this purpose, we consider apparent horizon as the boundary of the universe. We take three types of entropy such as Bakenstein entropy, logarithmic corrected entropy and power law corrected entropy with ordinary creation rate Γ. We analyze the first law and generalized second law of thermodynamics analytically for these entropies which hold under some constraints. The behavior of total entropy in each case is also discussed which implies the validity of generalized second law of thermodynamics. Also, we check the thermodynamical equilibrium condition for two phases of creation rate, that is constant and variable Γ and found its vitality in all cases of entropy. (orig.)

Thermodynamics of gravitationally induced particle creation scenario in DGP braneworld

International Nuclear Information System (INIS)

Jawad, Abdul; Rani, Shamaila; Rafique, Salman

2018-01-01

In this paper, we discuss the thermodynamical analysis for gravitationally induced particle creation scenario in the framework of DGP braneworld model. For this purpose, we consider apparent horizon as the boundary of the universe. We take three types of entropy such as Bakenstein entropy, logarithmic corrected entropy and power law corrected entropy with ordinary creation rate Γ. We analyze the first law and generalized second law of thermodynamics analytically for these entropies which hold under some constraints. The behavior of total entropy in each case is also discussed which implies the validity of generalized second law of thermodynamics. Also, we check the thermodynamical equilibrium condition for two phases of creation rate, that is constant and variable Γ and found its vitality in all cases of entropy. (orig.)

Thermodynamic basis for effective energy utilization

Energy Technology Data Exchange (ETDEWEB)

Rogers, J. T.

1977-10-15

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

Thermodynamic analysis on optimum performance of scramjet engine at high Mach numbers

International Nuclear Information System (INIS)

Zhang, Duo; Yang, Shengbo; Zhang, Silong; Qin, Jiang; Bao, Wen

2015-01-01

In order to predict the maximum performance of scramjet engine at flight conditions with high freestream Mach numbers, a thermodynamic model of Brayton cycle was utilized to analyze the effects of inlet pressure ratio, fuel equivalence ratio and the upper limit of gas temperature to the specific thrust and the fuel impulse of the scramjet considering the characteristics of non-isentropic compression in the inlet. The results show that both the inlet efficiency and the temperature limit in the combustor have remarkable effects on the overall engine performances. Different with the ideal Brayton cycles assuming isentropic compression without upper limit of gas temperature, both the maximum specific thrust and the maximum fuel impulse of a scramjet present non-monotonic trends against the fuel equivalence ratio in this study. Considering the empirical design efficiencies of inlet, there is a wide range of fuel equivalence ratios in which the fuel impulses remain at high values. Moreover, the maximum specific thrust can also be achieved with a fuel equivalence ratio near this range. Therefore, it is possible to achieve an overall high performance in a scramjet at high Mach numbers. - Highlights: • Thermodynamic analysis with Brayton cycle on overall performances of scramjet. • The compression loss in the inlet was considered in predicting scram-mode operation. • Non-monotonic trends of engine performances against fuel equivalence ratio.

Thermodynamics of nuclear materials

International Nuclear Information System (INIS)

Rand, M.H.

1975-01-01

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

Thermodynamic Properties and Thermodynamic Geometries of Black p-Branes

International Nuclear Information System (INIS)

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

2016-01-01

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

Non-equilibrium thermodynamics

CERN Document Server

De Groot, Sybren Ruurds

1984-01-01

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

Advanced thermodynamics engineering

CERN Document Server

Annamalai, Kalyan; Jog, Milind A

2011-01-01

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

Modern engineering thermodynamics

CERN Document Server

Balmer, Robert T

2010-01-01

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

Thermodynamic analysis on an anisotropically superhydrophobic surface with a hierarchical structure

Energy Technology Data Exchange (ETDEWEB)

Zhao, Jieliang [Division of Intelligent and Biomechanical Systems, State Key Laboratory of Tribology, Tsinghua University, Room 3407, Building 9003, 100084 Beijing (China); Su, Zhengliang [Division of Intelligent and Biomechanical Systems, State Key Laboratory of Tribology, Tsinghua University, Room 3407, Building 9003, 100084 Beijing (China); Department of Automotive Engineering, Tsinghua University, Beijing 100084 (China); Yan, Shaoze, E-mail: yansz@mail.tsinghua.edu.cn [Division of Intelligent and Biomechanical Systems, State Key Laboratory of Tribology, Tsinghua University, Room 3407, Building 9003, 100084 Beijing (China)

2015-12-01

Graphical abstract: - Highlights: • We model the superhydrophobic surface with anisotropic and hierarchical structure. • Anisotropic wetting only shows in noncomposite state (not in composite state). • Transition from noncomposite to composite state on dual-scale structure is hard. • Droplets tend to roll in the particular direction. • Droplets tend to stably remain in one preferred thermodynamic state. - Abstract: Superhydrophobic surfaces, which refer to the surfaces with contact angle higher than 150° and hysteresis less than 10°, have been reported in various studies. However, studies on the superhydrophobicity of anisotropic, hierarchical surfaces are limited and the corresponding thermodynamic mechanisms could not be explained thoroughly. Here we propose a simplified surface model of anisotropic patterned surface with dual scale roughness. Based on the thermodynamic method, we calculate the equilibrium contact angle (ECA) and the contact angle hysteresis (CAH) on the given surface. We show here that the hierarchical structure has much better anisotropic wetting properties than the single-scale one, and the results shed light on the potential application in controllable micro-/nano-fluidic systems. Our studies can be potentially applied for the fabrication of anisotropically superhydrophobic surfaces.

Thermodynamic analysis on an anisotropically superhydrophobic surface with a hierarchical structure

International Nuclear Information System (INIS)

Zhao, Jieliang; Su, Zhengliang; Yan, Shaoze

2015-01-01

Graphical abstract: - Highlights: • We model the superhydrophobic surface with anisotropic and hierarchical structure. • Anisotropic wetting only shows in noncomposite state (not in composite state). • Transition from noncomposite to composite state on dual-scale structure is hard. • Droplets tend to roll in the particular direction. • Droplets tend to stably remain in one preferred thermodynamic state. - Abstract: Superhydrophobic surfaces, which refer to the surfaces with contact angle higher than 150° and hysteresis less than 10°, have been reported in various studies. However, studies on the superhydrophobicity of anisotropic, hierarchical surfaces are limited and the corresponding thermodynamic mechanisms could not be explained thoroughly. Here we propose a simplified surface model of anisotropic patterned surface with dual scale roughness. Based on the thermodynamic method, we calculate the equilibrium contact angle (ECA) and the contact angle hysteresis (CAH) on the given surface. We show here that the hierarchical structure has much better anisotropic wetting properties than the single-scale one, and the results shed light on the potential application in controllable micro-/nano-fluidic systems. Our studies can be potentially applied for the fabrication of anisotropically superhydrophobic surfaces.

Comparison of Soil Models in the Thermodynamic Analysis of a Submarine Pipeline Buried in Seabed Sediments

Directory of Open Access Journals (Sweden)

Magda Waldemar

2017-12-01

Full Text Available This paper deals with mathematical modelling of a seabed layer in the thermodynamic analysis of a submarine pipeline buried in seabed sediments. The existing seabed soil models: a “soil ring” and a semi-infinite soil layer are discussed in a comparative analysis of the shape factor of a surrounding soil layer. The meaning of differences in the heat transfer coefficient of a soil layer is illustrated based on a computational example of the longitudinal temperaturę profile of a -kilometer long crude oil pipeline buried in seabed sediments.

Application of the rigorous method to x-ray and neutron beam scattering on rough surfaces

International Nuclear Information System (INIS)

Goray, Leonid I.

2010-01-01

The paper presents a comprehensive numerical analysis of x-ray and neutron scattering from finite-conducting rough surfaces which is performed in the frame of the boundary integral equation method in a rigorous formulation for high ratios of characteristic dimension to wavelength. The single integral equation obtained involves boundary integrals of the single and double layer potentials. A more general treatment of the energy conservation law applicable to absorption gratings and rough mirrors is considered. In order to compute the scattering intensity of rough surfaces using the forward electromagnetic solver, Monte Carlo simulation is employed to average the deterministic diffraction grating efficiency due to individual surfaces over an ensemble of realizations. Some rules appropriate for numerical implementation of the theory at small wavelength-to-period ratios are presented. The difference between the rigorous approach and approximations can be clearly seen in specular reflectances of Au mirrors with different roughness parameters at wavelengths where grazing incidence occurs at close to or larger than the critical angle. This difference may give rise to wrong estimates of rms roughness and correlation length if they are obtained by comparing experimental data with calculations. Besides, the rigorous approach permits taking into account any known roughness statistics and allows exact computation of diffuse scattering.

Small Systems and Limitations on the Use of Chemical Thermodynamics

Science.gov (United States)

Tovbin, Yu. K.

2018-01-01

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

Thermodynamics an advanced textbook for chemical engineers

CERN Document Server

Astarita, Gianni

1989-01-01

If a Writer would know how to behave himself with relation to Posterity; let him consider in old Books, what he finds, that he is glad to know; and what Omissions he most laments. Jonathan Swift This book emerges from a long story of teaching. I taught chemical engineering thermodynamics for about ten years at the University of Naples in the 1960s, and I still remember the awkwardness that I felt about any textbook I chose to consider-all of them seemed to be vague at best, and the standard of logical rigor seemed immensely inferior to what I could find in books on such other of the students in my first class subjects as calculus and fluid mechanics. One (who is now Prof. F. Gioia of the University of Naples) once asked me a question which I have used here as Example 4. 2-more than 20 years have gone by, and I am still waiting for a more intelligent question from one of my students. At the time, that question compelled me to answer in a way I didn't like, namely "I'll think about it, and I hope I'll have the ...

Ecosystem thermodynamics

International Nuclear Information System (INIS)

Gomez Palacio, German Rau

1998-01-01

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

Thermodynamics I essentials

CERN Document Server

REA, The Editors of

2012-01-01

REA's Essentials provide quick and easy access to critical information in a variety of different fields, ranging from the most basic to the most advanced. As its name implies, these concise, comprehensive study guides summarize the essentials of the field covered. Essentials are helpful when preparing for exams, doing homework and will remain a lasting reference source for students, teachers, and professionals. Thermodynamics I includes review of properties and states of a pure substance, work and heat, energy and the first law of thermodynamics, entropy and the second law of thermodynamics

Statistical Thermodynamics and Microscale Thermophysics

Science.gov (United States)

Carey, Van P.

1999-08-01

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

Is there a link between selectivity and binding thermodynamics profiles?

Science.gov (United States)

Tarcsay, Ákos; Keserű, György M

2015-01-01

Thermodynamics of ligand binding is influenced by the interplay between enthalpy and entropy contributions of the binding event. The impact of these binding free energy components, however, is not limited to the primary target only. Here, we investigate the relationship between binding thermodynamics and selectivity profiles by combining publicly available data from broad off-target assay profiling and the corresponding thermodynamics measurements. Our analysis indicates that compounds binding their primary targets with higher entropy contributions tend to hit more off-targets compared with those ligands that demonstrated enthalpy-driven binding. Copyright © 2014 Elsevier Ltd. All rights reserved.

Thermodynamics and statistical mechanics an integrated approach

CERN Document Server

Shell, M Scott

2015-01-01

Learn classical thermodynamics alongside statistical mechanics with this fresh approach to the subjects. Molecular and macroscopic principles are explained in an integrated, side-by-side manner to give students a deep, intuitive understanding of thermodynamics and equip them to tackle future research topics that focus on the nanoscale. Entropy is introduced from the get-go, providing a clear explanation of how the classical laws connect to the molecular principles, and closing the gap between the atomic world and thermodynamics. Notation is streamlined throughout, with a focus on general concepts and simple models, for building basic physical intuition and gaining confidence in problem analysis and model development. Well over 400 guided end-of-chapter problems are included, addressing conceptual, fundamental, and applied skill sets. Numerous worked examples are also provided together with handy shaded boxes to emphasize key concepts, making this the complete teaching package for students in chemical engineer...

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

International Nuclear Information System (INIS)

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

2013-01-01

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

Friedel's salt profiles from thermogravimetric analysis and thermodynamic modelling of Portland cement-based mortars exposed to sodium chloride solution

DEFF Research Database (Denmark)

Shi, Zhenguo; Geiker, Mette Rica; Lothenbach, Barbara

2017-01-01

Thermogravimetric analysis (TGA), powder X-ray diffraction (XRD) and thermodynamic modelling have been used to obtain Friedel's salt profiles for saturated mortar cylinders exposed to a 2.8 M NaCl solution. Comparison of the measured Friedel's salt profiles with the total chloride profiles...

On the Correct Formulation of the First Law of Thermodynamics

Science.gov (United States)

Kalanov, Temur Z.

2006-04-01

The critical analysis of the generally accepted formulation of the first law of thermodynamics is proposed. The purpose of the analysis is to prove that the standard formulation contains a mathematical error and to offer the correct formulation. The correct formulation is based on the concepts of function and differential of function. Really, if internal energy Uof a system is a function of two independent variables Q=Q(t) (describing of the thermal form of energy) and R=R(t) (describing non-thermal form of energy), then the correct formulation of the first law of thermodynamics is: dU(Q,R)dt=( UQ )RdQdt+( UR )QdRdt, where t and -( UR )Q / ( UR )Q ( UQ ) . - ( UQ )R are time and measure of mutual transformation of forms of energy, correspondingly. General conclusion: standard thermodynamics is incorrect.

Thermodynamics and process analysis for future economic scenarios

International Nuclear Information System (INIS)

Ayres, R.U.

1995-01-01

Economists are increasingly interested in forecasting future costs and benefits of policies for dealing with materials/energy fluxes, polluting emissions and environmental impacts on various scales, from sectoral to global. Computable general equilibrium (CGE) models are currently popular because they project demand and industrial structure into the future, along an equilibrium path. But they are applicable only to the extent that structural changes occur in or near equilibrium, independent of radical technological (or social) change. The alternative tool for analyzing economic implications of scenario assumptions is to use Leontief-type Input-Output (I-O) models. I-O models are unable to endogenize structural shifts (changing I-O coefficients). However, this can be a virtue when considering radical rather than incremental shifts. Postulated I-O tables can be used independently to check the internal consistency of scenarios. Or I-O models can be used to generate scenarios by linking them to econometric 'macro-drivers' (which can, in principle, be CGE models). Explicit process analysis can be integrated, in principle, with I-O models. This hybrid scheme provides a natural means of satisfying physical constraints, especially the first and second laws of thermodynamics. This is important, to avoid constructing scenarios based on physically impossible processes. Process analysis is really the only available tool for constructing physically plausible alternative future I-O tables, and generating materials/energy and waste emissions coefficients. Explicit process analysis also helps avoid several problems characteristic of 'pure' CGE or I-O models, viz. (1) aggregation errors (2) inability to handle arbitrary combinations of co-product and co-input relationships and (3) inability to reflect certain non-linearities such as internal feedback loops. 4 figs., 2 tabs., 38 refs

Topological charged black holes in massive gravity's rainbow and their thermodynamical analysis through various approaches

Energy Technology Data Exchange (ETDEWEB)

Hendi, S.H., E-mail: hendi@shirazu.ac.ir [Physics Department and Biruni Observatory, College of Sciences, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of); Research Institute for Astronomy and Astrophysics of Maragha (RIAAM), P.O. Box 55134-441, Maragha (Iran, Islamic Republic of); Eslam Panah, B. [Physics Department and Biruni Observatory, College of Sciences, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of); Panahiyan, S. [Physics Department and Biruni Observatory, College of Sciences, Shiraz University, Shiraz 71454 (Iran, Islamic Republic of); Physics Department, Shahid Beheshti University, Tehran 19839 (Iran, Islamic Republic of)

2017-06-10

Violation of Lorentz invariancy in the high energy quantum gravity motivates one to consider an energy dependent spacetime with massive deformation of standard general relativity. In this paper, we take into account an energy dependent metric in the context of a massive gravity model to obtain exact solutions. We investigate the geometry of black hole solutions and also calculate the conserved and thermodynamic quantities, which are fully reproduced by the analysis performed with the standard techniques. After examining the validity of the first law of thermodynamics, we conduct a study regarding the effects of different parameters on thermal stability of the solutions. In addition, we employ the relation between cosmological constant and thermodynamical pressure to study the possibility of phase transition. Interestingly, we will show that for the specific configuration considered in this paper, van der Waals like behavior is observed for different topology. In other words, for flat and hyperbolic horizons, similar to spherical horizon, a second order phase transition and van der Waals like behavior are observed. Furthermore, we use geometrical method to construct phase space and study phase transition and bound points for these black holes. Finally, we obtain critical values in extended phase space through the use of a new method.

Thermodynamic and heat transfer analysis of LNG energy recovery for power production

International Nuclear Information System (INIS)

Franco, A; Casarosa, C

2014-01-01

An important option to transport the gas is to convert it into liquid natural gas (LNG) and convey it using insulated LNG tankers. At receiving terminals, the LNG is offloaded into storage tanks and then pumped at the required pressure and vaporized for final transmission to the pipeline. The LNG production process consumes a considerable amount of energy, while the cold availability, as also known as cold energy, has been stored in LNG. At a receiving terminal, LNG needs to be evaporated into gas at environmental temperature before fed into the gas distribution system. Seawater is commonly used for the regasification process of the LNG. In the present paper, after a general analysis of the perspectives of the various thermodynamic schemes proposed for power production from the regasification, a detailed analysis of enhanced direct expansion system is carried out in order to identify the upper level of the energy that can be recovered. The analysis outlines that power production typical of optimized ORC plant configurations (120 kJ/kg) can be obtained with direct expansion solutions

Thermodynamic and heat transfer analysis of LNG energy recovery for power production

Science.gov (United States)

Franco, A.; Casarosa, C.

2014-11-01

An important option to transport the gas is to convert it into liquid natural gas (LNG) and convey it using insulated LNG tankers. At receiving terminals, the LNG is offloaded into storage tanks and then pumped at the required pressure and vaporized for final transmission to the pipeline. The LNG production process consumes a considerable amount of energy, while the cold availability, as also known as cold energy, has been stored in LNG. At a receiving terminal, LNG needs to be evaporated into gas at environmental temperature before fed into the gas distribution system. Seawater is commonly used for the regasification process of the LNG. In the present paper, after a general analysis of the perspectives of the various thermodynamic schemes proposed for power production from the regasification, a detailed analysis of enhanced direct expansion system is carried out in order to identify the upper level of the energy that can be recovered. The analysis outlines that power production typical of optimized ORC plant configurations (120 kJ/kg) can be obtained with direct expansion solutions.

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 analysis of volatile organometallic fission products

International Nuclear Information System (INIS)

Auxier II, J.D.; Hall, H.L.; Cressy, Derek

2016-01-01

The ability to perform rapid separations in a post nuclear weapon detonation scenario is an important aspect of national security. In the past, separations of fission products have been performed using solvent extraction, precipitation, etc. The focus of this work is to explore the feasibility of using thermochromatography, a technique largely employed in superheavy element chemistry, to expedite the separation of fission products from fuel components. A series of fission product complexes were synthesized and the thermodynamic parameters were measured using TGA/DSC methods. Once measured, these parameters were used to predict their retention times using thermochromatography. (author)

Thermodynamics of black-holes in Brans-Dicke gravity

International Nuclear Information System (INIS)

Kim, H.; Kim, Y.

1997-01-01

It is recently been argued that non-trivial Brans-Dicke black-hole solutions different from the usual Schwarzschild solution could exist. The authors attempt here to 'censor' these non-trivial Brans-Dicke black-hole solutions by examining their thermodynamics properties. Quantities like Hawking temperature and entropy of the black holes are computed. The analysis of the behaviors of these thermodynamic quantities appears to show that even in Brans-Dicke gravity, the usual Schwarzschild space-time turns out to be the only physically relevant uncharged black-hole solution

Thermodynamics an engineering approach

CERN Document Server

Cengel, Yunus A

2014-01-01

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

Rigor or Reliability and Validity in Qualitative Research: Perspectives, Strategies, Reconceptualization, and Recommendations.

Science.gov (United States)

Cypress, Brigitte S

Issues are still raised even now in the 21st century by the persistent concern with achieving rigor in qualitative research. There is also a continuing debate about the analogous terms reliability and validity in naturalistic inquiries as opposed to quantitative investigations. This article presents the concept of rigor in qualitative research using a phenomenological study as an exemplar to further illustrate the process. Elaborating on epistemological and theoretical conceptualizations by Lincoln and Guba, strategies congruent with qualitative perspective for ensuring validity to establish the credibility of the study are described. A synthesis of the historical development of validity criteria evident in the literature during the years is explored. Recommendations are made for use of the term rigor instead of trustworthiness and the reconceptualization and renewed use of the concept of reliability and validity in qualitative research, that strategies for ensuring rigor must be built into the qualitative research process rather than evaluated only after the inquiry, and that qualitative researchers and students alike must be proactive and take responsibility in ensuring the rigor of a research study. The insights garnered here will move novice researchers and doctoral students to a better conceptual grasp of the complexity of reliability and validity and its ramifications for qualitative inquiry.

The thermodynamic efficiency of ATP synthesis in oxidative phosphorylation.

Science.gov (United States)

Nath, Sunil

2016-12-01

As the chief energy source of eukaryotic cells, it is important to determine the thermodynamic efficiency of ATP synthesis in oxidative phosphorylation (OX PHOS). Previous estimates of the thermodynamic efficiency of this vital process have ranged from Lehninger's original back-of-the-envelope calculation of 38% to the often quoted value of 55-60% in current textbooks of biochemistry, to high values of 90% from recent information theoretic considerations, and reports of realizations of close to ideal 100% efficiencies by single molecule experiments. Hence this problem has been reinvestigated from first principles. The overall thermodynamic efficiency of ATP synthesis in the mitochondrial energy transduction OX PHOS process has been found to lie between 40 and 41% from four different approaches based on a) estimation using structural and biochemical data, b) fundamental nonequilibrium thermodynamic analysis, c) novel insights arising from Nath's torsional mechanism of energy transduction and ATP synthesis, and d) the overall balance of cellular energetics. The torsional mechanism also offers an explanation for the observation of a thermodynamic efficiency approaching 100% in some experiments. Applications of the unique, molecular machine mode of functioning of F 1 F O -ATP synthase involving direct inter-conversion of chemical and mechanical energies in the design and fabrication of novel, man-made mechanochemical devices have been envisaged, and some new ways to exorcise Maxwell's demon have been proposed. It is hoped that analysis of the fundamental problem of energy transduction in OX PHOS from a fresh perspective will catalyze new avenues of research in this interdisciplinary field. Copyright © 2016 Elsevier B.V. All rights reserved.

Optical Properties of Complex Plasmonic Materials Studied with Extended Effective Medium Theories Combined with Rigorous Coupled Wave Analysis

Directory of Open Access Journals (Sweden)

Elie Nadal

2018-02-01

Full Text Available In this study we fabricate gold nanocomposites and model their optical properties. The nanocomposites are either homogeneous films or gratings containing gold nanoparticles embedded in a polymer matrix. The samples are fabricated using a recently developed technique making use of laser interferometry. The gratings present original plasmon-enhanced diffraction properties. In this work, we develop a new approach to model the optical properties of our composites. We combine the extended Maxwell–Garnett model of effective media with the Rigorous Coupled Wave Analysis (RCWA method and compute both the absorption spectra and the diffraction efficiency spectra of the gratings. We show that such a semi-analytical approach allows us to reproduce the original plasmonic features of the composites and can provide us with details about their inner structure. Such an approach, considering reasonably high particle concentrations, could be a simple and efficient tool to study complex micro-structured system based on plasmonic components, such as metamaterials.

Rigorous high-precision enclosures of fixed points and their invariant manifolds

Science.gov (United States)

Wittig, Alexander N.

The well established concept of Taylor Models is introduced, which offer highly accurate C0 enclosures of functional dependencies, combining high-order polynomial approximation of functions and rigorous estimates of the truncation error, performed using verified arithmetic. The focus of this work is on the application of Taylor Models in algorithms for strongly non-linear dynamical systems. A method is proposed to extend the existing implementation of Taylor Models in COSY INFINITY from double precision coefficients to arbitrary precision coefficients. Great care is taken to maintain the highest efficiency possible by adaptively adjusting the precision of higher order coefficients in the polynomial expansion. High precision operations are based on clever combinations of elementary floating point operations yielding exact values for round-off errors. An experimental high precision interval data type is developed and implemented. Algorithms for the verified computation of intrinsic functions based on the High Precision Interval datatype are developed and described in detail. The application of these operations in the implementation of High Precision Taylor Models is discussed. An application of Taylor Model methods to the verification of fixed points is presented by verifying the existence of a period 15 fixed point in a near standard Henon map. Verification is performed using different verified methods such as double precision Taylor Models, High Precision intervals and High Precision Taylor Models. Results and performance of each method are compared. An automated rigorous fixed point finder is implemented, allowing the fully automated search for all fixed points of a function within a given domain. It returns a list of verified enclosures of each fixed point, optionally verifying uniqueness within these enclosures. An application of the fixed point finder to the rigorous analysis of beam transfer maps in accelerator physics is presented. Previous work done by

Thermodynamic and economic analysis and optimization of power cycles for a medium temperature geothermal resource

International Nuclear Information System (INIS)

Coskun, Ahmet; Bolatturk, Ali; Kanoglu, Mehmet

2014-01-01

Highlights: • We conduct the thermodynamic and economic analysis of various geothermal power cycles. • The optimization process was performed to minimize the exergy losses. • Kalina cycle is a new technology compared to flash and binary cycles. • It is shown that Kalina cycle presents a viable choice for both thermodynamically and economically. - Abstract: Geothermal power generation technologies are well established and there are numerous power plants operating worldwide. Turkey is rich in geothermal resources while most resources are not exploited for power production. In this study, we consider geothermal resources in Kutahya–Simav region having geothermal water at a temperature suitable for power generation. The study is aimed to yield the method of the most effective use of the geothermal resource and a rational thermodynamic and economic comparison of various cycles for a given resource. The cycles considered include double-flash, binary, combined flash/binary, and Kalina cycle. The selected cycles are optimized for the turbine inlet pressure that would generate maximum power output and energy and exergy efficiencies. The distribution of exergy in plant components and processes are shown using tables. Maximum first law efficiencies vary between 6.9% and 10.6% while the second law efficiencies vary between 38.5% and 59.3% depending on the cycle considered. The maximum power output, the first law, and the second law efficiencies are obtained for Kalina cycle followed by combined cycle and binary cycle. An economic analysis of four cycles considered indicates that the cost of producing a unit amount of electricity is 0.0116 $/kW h for double flash and Kalina cycles, 0.0165 $/kW h for combined cycle and 0.0202 $/kW h for binary cycle. Consequently, the payback period is 5.8 years for double flash and Kalina cycles while it is 8.3 years for combined cycle and 9 years for binary cycle

Some rigorous results concerning spectral theory for ideal MHD

International Nuclear Information System (INIS)

Laurence, P.

1986-01-01

Spectral theory for linear ideal MHD is laid on a firm foundation by defining appropriate function spaces for the operators associated with both the first- and second-order (in time and space) partial differential operators. Thus, it is rigorously established that a self-adjoint extension of F(xi) exists. It is shown that the operator L associated with the first-order formulation satisfies the conditions of the Hille--Yosida theorem. A foundation is laid thereby within which the domains associated with the first- and second-order formulations can be compared. This allows future work in a rigorous setting that will clarify the differences (in the two formulations) between the structure of the generalized eigenspaces corresponding to the marginal point of the spectrum ω = 0

Some rigorous results concerning spectral theory for ideal MHD

International Nuclear Information System (INIS)

Laurence, P.

1985-05-01

Spectral theory for linear ideal MHD is laid on a firm foundation by defining appropriate function spaces for the operators associated with both the first and second order (in time and space) partial differential operators. Thus, it is rigorously established that a self-adjoint extension of F(xi) exists. It is shown that the operator L associated with the first order formulation satisfies the conditions of the Hille-Yosida theorem. A foundation is laid thereby within which the domains associated with the first and second order formulations can be compared. This allows future work in a rigorous setting that will clarify the differences (in the two formulations) between the structure of the generalized eigenspaces corresponding to the marginal point of the spectrum ω = 0

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).

Equilibrium thermodynamics - Callen's postulational approach

NARCIS (Netherlands)

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

2001-01-01

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

Efficiency of an air-cooled thermodynamic cycle

International Nuclear Information System (INIS)

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

1979-01-01

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

Quality Systems. A Thermodynamics-Related Interpretive Model

Directory of Open Access Journals (Sweden)

Stefano A. Lollai

2017-08-01

Full Text Available In the present paper, a Quality Systems Theory is presented. Certifiable Quality Systems are treated and interpreted in accordance with a Thermodynamics-based approach. Analysis is also conducted on the relationship between Quality Management Systems (QMSs and systems theories. A measure of entropy is proposed for QMSs, including a virtual document entropy and an entropy linked to processes and organisation. QMSs are also interpreted in light of Cybernetics, and interrelations between Information Theory and quality are also highlighted. A measure for the information content of quality documents is proposed. Such parameters can be used as adequacy indices for QMSs. From the discussed approach, suggestions for organising QMSs are also derived. Further interpretive thermodynamic-based criteria for QMSs are also proposed. The work represents the first attempt to treat quality organisational systems according to a thermodynamics-related approach. At this stage, no data are available to compare statements in the paper.

Thermodynamic analysis of separating lead and antimony in chloride system

Institute of Scientific and Technical Information of China (English)

CHEN Jin-zhong; CAO Hua-zhen; LI Bo; YUAN Hai-jun; ZHENG Guo-qu; YANG Tian-zu

2009-01-01

In chloride system, thermodynamic analysis is a useful guide to separate lead and antimony as well as to understand the separation mechanism. An efficient and feasible way for separating lead and antimony was discussed. The relationships of [Pb2+][Cl-]2-lg[Cl]T and E-lg[Cl]T in Pb-Sb-Cl-H2O system were studied, and the solubilities of lead chloride at different antimony concentrations were calculated based on principle of simultaneous equilibrium. The results show that insoluble salt PbCl2 will only exist stably in a certain concentration range of chlorine ion. This concentration range of chlorine ion expands a little with increasing the concentration of antimony in the system while narrows as the system acidity increases. The solubility of Pb2+ in solution decreases with increasing the concentration of antimony in the system, whereas increases with increasing the concentration of total chlorine. The concentration range of total chlorine causing lead solubility less than 0.005 mol/L increases monotonically.

Thermodynamics for the practicing engineer

CERN Document Server

Theodore, Louis; Vanvliet, Timothy

2009-01-01

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

Thermodynamic analysis of a simple Organic Rankine Cycle

International Nuclear Information System (INIS)

Javanshir, Alireza; Sarunac, Nenad

2017-01-01

Thermodynamic performance (thermal efficiency and net power output) of a simple subcritical and supercritical Organic Rankine Cycle (ORC) was analyzed over a range of operating conditions for a number of working fluids to determine the effect of operating parameters on cycle performance and select the best working fluid. The results show that for an ORC operating with a dry working fluid, thermal efficiency decreases with an increase in the turbine inlet temperature (TIT) due to the convergence of the isobaric lines with temperature. The results also show that efficiency of an ORC operating with isentropic working fluids is higher compared to the dry and wet fluids, and working fluids with higher specific heat capacity provide higher cycle net power output. New expressions for thermal efficiency of a subcritical and supercritical simple ORC are proposed. For a subcritical ORC without the superheat, thermal efficiency is expressed as a function of the Figure of Merit (FOM), while for the superheated subcritical ORC thermal efficiency is given in terms of the modified Jacob number. For the supercritical ORC, thermal efficiency is expressed as a function of dimensionless temperature. - Highlights: • Analyzing thermodynamic performance of ORC over a range of operating conditions. • Selecting the best working fluid suitable for a simple ORC. • Proposing new expressions for thermal efficiency of a simple ORC.

Thermodynamics in High Rhythms and Rhymes: Creative Ways of Knowing in Engineering

Science.gov (United States)

Bairaktarova, Diana; Eodice, Michele

2017-01-01

Thermodynamics is a foundational course in nearly every engineering program. In a traditional classroom, instructors focus on the analysis of thermodynamic energy systems and their application to real world contexts. Because these complex systems can be difficult to understand, some instructors encourage students to tap into their creative side…

Thermodynamic modeling of the Ge-Ti system supported by key experiment

International Nuclear Information System (INIS)

Liu, Dandan; Yan, Huanli; Yuan, Xiaoming; Chung, Yoonsung; Du, Yong; Xu, Honghui; Liu, Libin; Nash, Philip

2011-01-01

Highlights: → All of the experimental phase diagram and thermodynamic data available for the Ge-Ti system have been critically evaluated. → The general feature of the Ge-Ti system and enthalpy of formation of Ti 5 Ge 3 have been checked via experiment. The annealed samples are characterized by X-ray diffraction, scanning electron microscope and differential thermal analysis. → An optimum thermodynamic data set for the Ge-Ti system was obtained. The comprehensive comparison shows that the calculated phase diagram and thermodynamic properties are in good agreement with the experimental data. - Abstract: A complete thermodynamic investigation of the Ge-Ti system was performed in this study. Seven samples were prepared by arc-melting the pure elements in order to check the literature data on phase diagram and enthalpy of formation of Ti 5 Ge 3 . The samples were annealed at certain temperatures for extended periods of time, and then quenched. Both the as-cast and annealed samples were examined by X-ray diffraction (XRD) analysis and scanning electron microscope (SEM) technology. The phase transformation temperatures were measured by differential thermal analysis (DTA). The measurement on enthalpy of formation for Ti 5 Ge 3 was performed using the Kleppa-type HTRC with the calorimeter temperature set at 1100 ± 2 o C. Based upon the literature data and current experimental results, the Ge-Ti system was critically assessed by means of CALPHAD approach. The calculated phase diagram and thermodynamic properties agree well with the literature data and the present experimental results.

Thermodynamic studies on charge-coupled substituted synthetic monazite

Energy Technology Data Exchange (ETDEWEB)

Rawat, D. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Phapale, S. [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Mishra, R., E-mail: mishrar@barc.gov.in [Chemistry Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India); Dash, S. [Product Development Division, Bhabha Atomic Research Centre, Trombay, Mumbai 400085 (India)

2017-04-15

Phosphate-based monazite ceramic is considered worldwide as a potential crystalline host matrix for immobilization of long-lived tri- and tetra-valent actinides present in high-level nuclear waste. Monazite is chemically stable with respect to the leaching processes and has high radiation stability. The present paper describes the influence of charged coupled (Ca{sup 2+}, Th{sup 4+}) substitution in place of La{sup 3+} on thermodynamic stability of synthetic monazite ceramics. XRD-analysis of Ca, Th substituted LaPO{sub 4} viz., La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} (0 ≤ x ≤ 1) points to the formation of ideal solid-solution in the entire range of composition. However, thermodynamic analysis indicates deviation from ideal solid-solution with a minima at x = 0.25. The substituted La{sub 1-x}Ca{sub x/2}Th{sub x/2}PO{sub 4} system is found to be iso-entropic and stabilized mainly by enthalpy. Enthalpies of formation as a function of Ca{sup 2+}, Th{sup 4+} substitution were analysed to provide insights into the development of thermodynamically stable nuclear waste matrix.

Thermodynamic modeling of transcription: sensitivity analysis differentiates biological mechanism from mathematical model-induced effects.

Science.gov (United States)

Dresch, Jacqueline M; Liu, Xiaozhou; Arnosti, David N; Ay, Ahmet

2010-10-24

Quantitative models of gene expression generate parameter values that can shed light on biological features such as transcription factor activity, cooperativity, and local effects of repressors. An important element in such investigations is sensitivity analysis, which determines how strongly a model's output reacts to variations in parameter values. Parameters of low sensitivity may not be accurately estimated, leading to unwarranted conclusions. Low sensitivity may reflect the nature of the biological data, or it may be a result of the model structure. Here, we focus on the analysis of thermodynamic models, which have been used extensively to analyze gene transcription. Extracted parameter values have been interpreted biologically, but until now little attention has been given to parameter sensitivity in this context. We apply local and global sensitivity analyses to two recent transcriptional models to determine the sensitivity of individual parameters. We show that in one case, values for repressor efficiencies are very sensitive, while values for protein cooperativities are not, and provide insights on why these differential sensitivities stem from both biological effects and the structure of the applied models. In a second case, we demonstrate that parameters that were thought to prove the system's dependence on activator-activator cooperativity are relatively insensitive. We show that there are numerous parameter sets that do not satisfy the relationships proferred as the optimal solutions, indicating that structural differences between the two types of transcriptional enhancers analyzed may not be as simple as altered activator cooperativity. Our results emphasize the need for sensitivity analysis to examine model construction and forms of biological data used for modeling transcriptional processes, in order to determine the significance of estimated parameter values for thermodynamic models. Knowledge of parameter sensitivities can provide the necessary

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.

Thermodynamic analysis of a supercritical water reactor

International Nuclear Information System (INIS)

Edwards, M.

2007-01-01

A thermodynamic model has been developed for a hypothetical design of a Supercritical Water Reactor, with emphasis on Canadian design criteria. The model solves for cycle efficiency, mass flows and physical conditions throughout the plant based on input parameters of operating pressures and efficiencies of components. The model includes eight feedwater heaters, three feedwater pumps, a deaerator, a condenser, the core, three turbines and two reheaters. To perform the calculations, Microsoft Excel was used in conjunction with FLUIDCAL-IAPWS95 and VBA code. The calculations show that a thermal efficiency of 47.5% can be achieved with a core outlet temperature of 625 o C. (author)

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

Energy Technology Data Exchange (ETDEWEB)

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

2012-04-04

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

SNG from coal: thermodynamic and kinetic constraints; use of nuclear energy

International Nuclear Information System (INIS)

Shapira, D.

1983-01-01

Part I contains an analysis of the thermodynamic constraints of converting coal to SNG. It is shown that the thermodynamic constraints that limit the thermal efficiency are not inherent, but are the result of design decisions, based on available technology, as well as on the kinetic properties of available catalysts. The latter, limits the yield of methane to that obtainable at global equilibrium over carbon in the presence of CO, H 2 , CO 2 and H 2 O. The equilibrium composition is shown to be independent of the thermodynamic properties of the char or coal fed. These limitations give the nonisothermal two-stage processes significant thermodynamic advantages. The analysis in part I results in suggesting directions for modifying present processes in order to obtain higher thermal efficiences. It also presents two-stage process schemes which may have significant advantages over present technology. As the methodology used for the thermodynamic analysis contains some novel elements, it should be of interest to the reaction engineer in general, and should be applicable to a wide range of catalytic and noncatalytic processes. Part II focuses on the use of nuclear energy in the production of synthetic fuel. Two processes for the production of hydrogen (which is used in coal-to-SNG processes) are analyzed and compared. The two processes are: 1) hydrogen from electrolysis of water using nuclear heat. 2) Hydrogen from steam reforming of methane using nuclear heat. The method used is differential economic analysis which focuses on evaluating the inherent advantages and disadvantages of the proposed technologies. Part II shows that the use of high temperature heat in production of hydrogen from coal is less attractive than the use of the same heat to generate electricity and split water into H 2 and O 2

Information Thermodynamics of Cytosine DNA Methylation.

Directory of Open Access Journals (Sweden)

Robersy Sanchez

Full Text Available Cytosine DNA methylation (CDM is a stable epigenetic modification to the genome and a widespread regulatory process in living organisms that involves multicomponent molecular machines. Genome-wide cytosine methylation patterning participates in the epigenetic reprogramming of a cell, suggesting that the biological information contained within methylation positions may be amenable to decoding. Adaptation to a new cellular or organismal environment also implies the potential for genome-wide redistribution of CDM changes that will ensure the stability of DNA molecules. This raises the question of whether or not we would be able to sort out the regulatory methylation signals from the CDM background ("noise" induced by thermal fluctuations. Here, we propose a novel statistical and information thermodynamic description of the CDM changes to address the last question. The physical basis of our statistical mechanical model was evaluated in two respects: 1 the adherence to Landauer's principle, according to which molecular machines must dissipate a minimum energy ε = kBT ln2 at each logic operation, where kB is the Boltzmann constant, and T is the absolute temperature and 2 whether or not the binary stretch of methylation marks on the DNA molecule comprise a language of sorts, properly constrained by thermodynamic principles. The study was performed for genome-wide methylation data from 152 ecotypes and 40 trans-generational variations of Arabidopsis thaliana and 93 human tissues. The DNA persistence length, a basic mechanical property altered by CDM, was estimated with values from 39 to 66.9 nm. Classical methylome analysis can be retrieved by applying information thermodynamic modelling, which is able to discriminate signal from noise. Our finding suggests that the CDM signal comprises a language scheme properly constrained by molecular thermodynamic principles, which is part of an epigenomic communication system that obeys the same thermodynamic

The generalized second law of thermodynamics in the accelerating universe

International Nuclear Information System (INIS)

Zhou Jia; Wang Bin; Gong Yungui; Abdalla, Elcio

2007-01-01

We show that in the accelerating universe the generalized second law of thermodynamics holds only in the case where the enveloping surface is the apparent horizon, but not in the case of the event horizon. The present analysis relies on the most recent SNe Ia events, being model independent. Our study might suggest that event horizon is not a physical boundary from the point of view of thermodynamics

Thermodynamics: The Unique Universal Science

Directory of Open Access Journals (Sweden)

Wassim M. Haddad

2017-11-01

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

Protein Denaturation on p-T Axes--Thermodynamics and Analysis.

Science.gov (United States)

Smeller, László

2015-01-01

Proteins are essential players in the vast majority of molecular level life processes. Since their structure is in most cases substantial for their correct function, study of their structural changes attracted great interest in the past decades. The three dimensional structure of proteins is influenced by several factors including temperature, pH, presence of chaotropic and cosmotropic agents, or presence of denaturants. Although pressure is an equally important thermodynamic parameter as temperature, pressure studies are considerably less frequent in the literature, probably due to the technical difficulties associated to the pressure studies. Although the first steps in the high-pressure protein study have been done 100 years ago with Bridgman's ground breaking work, the field was silent until the modern spectroscopic techniques allowed the characterization of the protein structural changes, while the protein was under pressure. Recently a number of proteins were studied under pressure, and complete pressure-temperature phase diagrams were determined for several of them. This review summarizes the thermodynamic background of the typical elliptic p-T phase diagram, its limitations and the possible reasons for deviations of the experimental diagrams from the theoretical one. Finally we show some examples of experimentally determined pressure-temperature phase diagrams.

Thermodynamic analysis of air solar collector

International Nuclear Information System (INIS)

Luminosu, Loan; Fara, Laurentiu

2006-01-01

The paper presents the experimental study of an air solar installation with a collecting area A c =4.2m 2 and variable working fluid flow rate in the range 0.02/0.06 kg/s. The experimental data are processed statistically through thermodynamic analysis using energy (semi-empirical and exergy methods. The aim of the paper is to establish the optimal air flow rate through this solar thermal system in order to ensure minimum irreversibility of the collecting-heating-cooling process under Romania's insolation conditions. The paper is also a demonstrative example of cost-effective and efficient use of solar energy for heating in Romania. It is experimentally proven that for this solar installation, the optimum air flow rate is of 0.04 kg/s. At a flow rate of 0.04 kg/s, irreversibility has the lowest values for all daytime hours with a maximum at noon (2640 W). For this flow rate the energy efficiency reaches the highest values. The maximum exergy efficiency value is 0 e x-max=0.197. In March 2000 the solar installation operated as an alternative thermal source for heating a garage, having an inner volume V=64.5 m 3 . The efficiency of the solar installation used for heating the garage is η=0.321. The economic ratio defined as the ratio between monetary benefit and financial investment is r=1.82. A value above 1 of ration r shows the economic utility of the solar installation for users who need thermal energy at low heat carrier levels. The study is useful to designers and users of solar thermal systems inCentral Europe as well as in other geographical areas where climatic conditions are comparable to those in South-Western Romania.(Author)

Experimental approaches to membrane thermodynamics

DEFF Research Database (Denmark)

Westh, Peter

2009-01-01

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

Black Holes and Thermodynamics

OpenAIRE

Wald, Robert M.

1997-01-01

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

The Relationship between Project-Based Learning and Rigor in STEM-Focused High Schools

Science.gov (United States)

Edmunds, Julie; Arshavsky, Nina; Glennie, Elizabeth; Charles, Karen; Rice, Olivia

2016-01-01

Project-based learning (PjBL) is an approach often favored in STEM classrooms, yet some studies have shown that teachers struggle to implement it with academic rigor. This paper explores the relationship between PjBL and rigor in the classrooms of ten STEM-oriented high schools. Utilizing three different data sources reflecting three different…

The importance of hydration thermodynamics in fragment-to-lead optimization.

Science.gov (United States)

Ichihara, Osamu; Shimada, Yuzo; Yoshidome, Daisuke

2014-12-01

Using a computational approach to assess changes in solvation thermodynamics upon ligand binding, we investigated the effects of water molecules on the binding energetics of over 20 fragment hits and their corresponding optimized lead compounds. Binding activity and X-ray crystallographic data of published fragment-to-lead optimization studies from various therapeutically relevant targets were studied. The analysis reveals a distinct difference between the thermodynamic profile of water molecules displaced by fragment hits and those displaced by the corresponding optimized lead compounds. Specifically, fragment hits tend to displace water molecules with notably unfavorable excess entropies-configurationally constrained water molecules-relative to those displaced by the newly added moieties of the lead compound during the course of fragment-to-lead optimization. Herein we describe the details of this analysis with the goal of providing practical guidelines for exploiting thermodynamic signatures of binding site water molecules in the context of fragment-to-lead optimization. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Semiclassical methods in curved spacetime and black hole thermodynamics

International Nuclear Information System (INIS)

Camblong, Horacio E.; Ordonez, Carlos R.

2005-01-01

Improved semiclassical techniques are developed and applied to a treatment of a real scalar field in a D-dimensional gravitational background. This analysis, leading to a derivation of the thermodynamics of black holes, is based on the simultaneous use of (i) a near-horizon description of the scalar field in terms of conformal quantum mechanics; (ii) a novel generalized WKB framework; and (iii) curved-spacetime phase-space methods. In addition, this improved semiclassical approach is shown to be asymptotically exact in the presence of hierarchical expansions of a near-horizon type. Most importantly, this analysis further supports the claim that the thermodynamics of black holes is induced by their near-horizon conformal invariance

Rigorous approximation of stationary measures and convergence to equilibrium for iterated function systems

International Nuclear Information System (INIS)

Galatolo, Stefano; Monge, Maurizio; Nisoli, Isaia

2016-01-01

We study the problem of the rigorous computation of the stationary measure and of the rate of convergence to equilibrium of an iterated function system described by a stochastic mixture of two or more dynamical systems that are either all uniformly expanding on the interval, either all contracting. In the expanding case, the associated transfer operators satisfy a Lasota–Yorke inequality, we show how to compute a rigorous approximations of the stationary measure in the L "1 norm and an estimate for the rate of convergence. The rigorous computation requires a computer-aided proof of the contraction of the transfer operators for the maps, and we show that this property propagates to the transfer operators of the IFS. In the contracting case we perform a rigorous approximation of the stationary measure in the Wasserstein–Kantorovich distance and rate of convergence, using the same functional analytic approach. We show that a finite computation can produce a realistic computation of all contraction rates for the whole parameter space. We conclude with a description of the implementation and numerical experiments. (paper)

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

Thermodynamic analysis of carbon formation in solid oxide fuel cells with a direct internal reformer fueled by ethanol, methanol, and methane

International Nuclear Information System (INIS)

Laosiripojana, N.; Assabumrungrat, S.; Pavarajarn, V.; Sangtongkitcharoen, W.; Tangjitmatee, A.; Praserthdam, P.

2004-01-01

'Full text:' This paper concerns a detailed thermodynamic analysis of carbon formation for a Direct Internal Reformer (DIR) Solid Oxide Fuel Cells (SOFC). The modeling of DIR-SOFC fueled by ethanol, methanol, and methane were compared. Two types of fuel cell electrolytes, i.e. oxygen-conducting and hydrogen-conducting, are considered. Equilibrium calculations were performed to find the ranges of inlet steam/fuel ratio where carbon formation is thermodynamically unfavorable in the temperature range of 500-1200 K. It was found that the key parameters determining the boundary of carbon formation are temperature, type of solid electrolyte and extent of the electrochemical reaction of hydrogen. The minimum requirements of H2O/fuel ratio for each type of fuel in which the carbon formation is thermodynamically unfavored were compared. At the same operating conditions, DIR-SOFC fueled by ethanol required the lowest inlet H2O/fuel ratio in which the carbon formation is thermodynamically unfavored. The requirement decreased with increasing temperature for all three fuels. Comparison between two types of the electrolytes reveals that the hydrogen-conducting electrolyte is impractical for use, regarding to the tendency of carbon formation. This is due mainly to the water formed by the electrochemical reaction at the electrodes. (author)

Thermodynamic analysis of growth of iron oxide films by MOCVD ...

Indian Academy of Sciences (India)

Abstract. Thermodynamic calculations, using the criterion of minimization of total Gibbs free energy of the system, have been carried out for the metalorganic chemical vapour deposition (MOCVD) process involving the -ketoesterate complex of iron [tris(-butyl-3-oxo-butanoato)iron(III) or Fe(tbob)3] and molecular oxygen.

Molecular thermodynamics of nonideal fluids

CERN Document Server

Lee, Lloyd L

2013-01-01

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

Coherence and measurement in quantum thermodynamics.

Science.gov (United States)

Kammerlander, P; Anders, J

2016-02-26

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

Solvation thermodynamics

CERN Document Server

Ben-Naim, Arieh

1987-01-01

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

Modern thermodynamics

CERN Document Server

Ben-Naim, Arieh

2017-01-01

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

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.

Thermodynamic analysis and experimental study on the oxidation of the Zn-Al-Mg coating baths

Energy Technology Data Exchange (ETDEWEB)

Su, Xuping, E-mail: sxping@cczu.edu.cn [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, 213164 Jiangsu (China); Jiangsu Collaborative Innovation Center of Photovoltaic Science and Engineering, Changzhou University, 213164 Jiangsu (China); Zhou, Jie; Wang, Jianhua; Wu, Changjun; Liu, Ya; Tu, Hao; Peng, Haoping [Jiangsu Key Laboratory of Materials Surface Science and Technology, Changzhou University, 213164 Jiangsu (China)

2017-02-28

Highlights: • The surface oxidation products of the Zn-Al-Mg melt were analyzed with XPS. • Certain Al must be added in bath containing Mg to get stable galvanizing melts. • The oxidation products vary with the bath composition. • Oxidation can be predicted in galvanizing by using the calculated phase diagrams. • The thermodynamic analysis can be used to design the practical bath melts. - Abstract: Surface oxidation of molten Zn-6Al baths containing 0.0, 3.0 and 6.0 wt. % Mg were analyzed using X-ray photoelectron spectroscopy. γ-Al{sub 2}O{sub 3} is formed on the surface of the Zn-6Al bath, while MgAl{sub 2}O{sub 4} and MgO occur at 460 °C in the Zn-6Al-3Mg and Zn-6Al-6Mg baths, respectively. Thermodynamic analysis on the oxidation of the Zn-Al-Mg baths was performed. Calculated phase diagrams at 460 °C and 560 °C show good agreements with the experimental results. MgO or MgAl{sub 2}O{sub 4} exists in almost the entire composition range of the calculated oxidation diagrams. According to the calculation, oxidation products depend on the composition and temperature of the baths. The primary and secondary oxidation products of the Zn-Al-Mg baths can be reasonably explained by oxidation phase diagrams. Utilizing these results, the favorable practical bath melts and operating conditions can be designed.

Thermodynamically efficient solar concentrators

Science.gov (United States)

Winston, Roland

2012-10-01

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

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.

Basic chemically recuperated gas turbines--power plant optimization and thermodynamics second law analysis

International Nuclear Information System (INIS)

Alves, Lourenco Gobira; Nebra, Silvia Azucena

2004-01-01

One of the proposals to increase the performance of the gas turbines is to improve chemical recuperated cycle. In this cycle, the heat in the turbine exhaust gases is used to heat and modify the chemical characteristics of the fuel. One mixture of natural gas and steam receives heat from the exhaust turbine gases; the mixture components react among themselves producing hot synthesis gas. In this work, an analysis and nonlinear optimization of the cycle were made in order to investigate the temperature and pressure influence on the global cycle performance. The chemical composition in the reformer was assumed according to chemical equilibrium equations, which presents good agreement with data from literature. The mixture of hot gases was treated like ideal gases. The maximum net profit was achieved and a thermodynamic second law analysis was made in order to detect the greatest sources of irreversibility

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.

Thermodynamics in Loop Quantum Cosmology

International Nuclear Information System (INIS)

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

2009-01-01

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

Study of the quality characteristics in cold-smoked salmon (Salmo salar) originating from pre- or post-rigor raw material.

Science.gov (United States)

Birkeland, S; Akse, L

2010-01-01

Improved slaughtering procedures in the salmon industry have caused a delayed onset of rigor mortis and, thus, a potential for pre-rigor secondary processing. The aim of this study was to investigate the effect of rigor status at time of processing on quality traits color, texture, sensory, microbiological, in injection salted, and cold-smoked Atlantic salmon (Salmo salar). Injection of pre-rigor fillets caused a significant (Prigor processed fillets; however, post-rigor (1477 ± 38 g) fillets had a significant (P>0.05) higher fracturability than pre-rigor fillets (1369 ± 71 g). Pre-rigor fillets were significantly (Prigor fillets (37.8 ± 0.8) and had significantly lower (Prigor processed fillets. This study showed that similar quality characteristics can be obtained in cold-smoked products processed either pre- or post-rigor when using suitable injection salting protocols and smoking techniques. © 2010 Institute of Food Technologists®

Upgrading geometry conceptual understanding and strategic competence through implementing rigorous mathematical thinking (RMT)

Science.gov (United States)

Nugraheni, Z.; Budiyono, B.; Slamet, I.

2018-03-01

To reach higher order thinking skill, needed to be mastered the conceptual understanding and strategic competence as they are two basic parts of high order thinking skill (HOTS). RMT is a unique realization of the cognitive conceptual construction approach based on Feurstein with his theory of Mediated Learning Experience (MLE) and Vygotsky’s sociocultural theory. This was quasi-experimental research which compared the experimental class that was given Rigorous Mathematical Thinking (RMT) as learning method and the control class that was given Direct Learning (DL) as the conventional learning activity. This study examined whether there was different effect of two learning model toward conceptual understanding and strategic competence of Junior High School Students. The data was analyzed by using Multivariate Analysis of Variance (MANOVA) and obtained a significant difference between experimental and control class when considered jointly on the mathematics conceptual understanding and strategic competence (shown by Wilk’s Λ = 0.84). Further, by independent t-test is known that there was significant difference between two classes both on mathematical conceptual understanding and strategic competence. By this result is known that Rigorous Mathematical Thinking (RMT) had positive impact toward Mathematics conceptual understanding and strategic competence.

Choice of the thermodynamic variables

International Nuclear Information System (INIS)

Balian, R.

1985-09-01

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

Thermodynamic modeling to analyse composition of carbonaceous ...

Indian Academy of Sciences (India)

Equilibrium thermodynamic analysis has been applied to the low-pressure MOCVD process using manganese acetylacetonate as the precursor. ``CVD phase stability diagrams” have been constructed separately for the processes carried out in argon and oxygen ambient, depicting the compositions of the resulting films as ...

Experimental evaluation of rigor mortis. VIII. Estimation of time since death by repeated measurements of the intensity of rigor mortis on rats.

Science.gov (United States)

Krompecher, T

1994-10-21

The development of the intensity of rigor mortis was monitored in nine groups of rats. The measurements were initiated after 2, 4, 5, 6, 8, 12, 15, 24, and 48 h post mortem (p.m.) and lasted 5-9 h, which ideally should correspond to the usual procedure after the discovery of a corpse. The experiments were carried out at an ambient temperature of 24 degrees C. Measurements initiated early after death resulted in curves with a rising portion, a plateau, and a descending slope. Delaying the initial measurement translated into shorter rising portions, and curves initiated 8 h p.m. or later are comprised of a plateau and/or a downward slope only. Three different phases were observed suggesting simple rules that can help estimate the time since death: (1) if an increase in intensity was found, the initial measurements were conducted not later than 5 h p.m.; (2) if only a decrease in intensity was observed, the initial measurements were conducted not earlier than 7 h p.m.; and (3) at 24 h p.m., the resolution is complete, and no further changes in intensity should occur. Our results clearly demonstrate that repeated measurements of the intensity of rigor mortis allow a more accurate estimation of the time since death of the experimental animals than the single measurement method used earlier. A critical review of the literature on the estimation of time since death on the basis of objective measurements of the intensity of rigor mortis is also presented.

Investigation of thermodynamic parameters in the pyrolysis conversion of biomass and manure to biochars using thermogravimetric analysis.

Science.gov (United States)

Xu, Yiliang; Chen, Baoliang

2013-10-01

The thermodynamic parameters of the conversion of two companion pair materials, i.e., rice straw vs dairy manure, and rice bran vs chicken manure, to biochars were characterized by thermogravimetric analysis. The overall changes of activation energy (Ea) were well described by the Flynn-Wall method. The Ea values increased steeply from about 120 to 180 kJ/mol at the mass conversion (α) at 0.2-0.4, followed by a relatively steady change at 0.40.65. The higher contents of minerals in manures resulted in the larger Ea. The individual conversion of hemicellulose, cellulose and lignin in the feedstocks was identified and their thermodynamic parameters (ΔH°, ΔG° and ΔS°) were calculated. The yields of biochars calculated from TG curve were compared with the determined yields of biochars using muffle pyrolysis. Along with Fourier transform infrared spectra data, the distinct decompositions of biomasses and manures were evaluated. Copyright © 2013 Elsevier Ltd. All rights reserved.

Thermodynamic and thermoeconomic analyses of seawater reverse osmosis desalination plant with energy recovery

International Nuclear Information System (INIS)

El-Emam, Rami Salah; Dincer, Ibrahim

2014-01-01

This paper investigates the performance of a RO (reverse osmosis) desalination plant at different seawater salinity values. An energy recovery Pelton turbine is integrated with the desalination plant. Thermodynamic analysis, based on the first and second laws of thermodynamics, as well as a thermo-based economic analysis is performed for the proposed system. The effects of the system components irreversibilities on the economics and cost of product water are parametrically studied through the thermoeconomic analysis. The exergy analysis shows that large irreversibilities occur in the high pressure pump and in the RO module. Both thermodynamic and thermoeconomic performances of the overall system are investigated under different operating parameters. For the base case; the system achieves an exergy efficiency of 5.82%. The product cost is estimated to be 2.451 $/m 3 and 54.2 $/MJ when source water with salinity of 35,000 ppm is fed to the system. - Highlights: • Thermodynamic and exergoeconomic analyses are performed for SWRO with energy recovery. • Parametric studies are done to study effects of operating conditions on performance. • Different seawater sources with different salinity values are tested. • At base case, plant exergy efficiency is 5.82% and product cost is 2.451 $/m 3

The MIXED framework: A novel approach to evaluating mixed-methods rigor.

Science.gov (United States)

Eckhardt, Ann L; DeVon, Holli A

2017-10-01

Evaluation of rigor in mixed-methods (MM) research is a persistent challenge due to the combination of inconsistent philosophical paradigms, the use of multiple research methods which require different skill sets, and the need to combine research at different points in the research process. Researchers have proposed a variety of ways to thoroughly evaluate MM research, but each method fails to provide a framework that is useful for the consumer of research. In contrast, the MIXED framework is meant to bridge the gap between an academic exercise and practical assessment of a published work. The MIXED framework (methods, inference, expertise, evaluation, and design) borrows from previously published frameworks to create a useful tool for the evaluation of a published study. The MIXED framework uses an experimental eight-item scale that allows for comprehensive integrated assessment of MM rigor in published manuscripts. Mixed methods are becoming increasingly prevalent in nursing and healthcare research requiring researchers and consumers to address issues unique to MM such as evaluation of rigor. © 2017 John Wiley & Sons Ltd.

Thermodynamics in Einstein's thought

International Nuclear Information System (INIS)

Klein, M.J.

1983-01-01

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

Second Law of Thermodynamics Applied to Metabolic Networks

Science.gov (United States)

Nigam, R.; Liang, S.

2003-01-01

We present a simple algorithm based on linear programming, that combines Kirchoff's flux and potential laws and applies them to metabolic networks to predict thermodynamically feasible reaction fluxes. These law's represent mass conservation and energy feasibility that are widely used in electrical circuit analysis. Formulating the Kirchoff's potential law around a reaction loop in terms of the null space of the stoichiometric matrix leads to a simple representation of the law of entropy that can be readily incorporated into the traditional flux balance analysis without resorting to non-linear optimization. Our technique is new as it can easily check the fluxes got by applying flux balance analysis for thermodynamic feasibility and modify them if they are infeasible so that they satisfy the law of entropy. We illustrate our method by applying it to the network dealing with the central metabolism of Escherichia coli. Due to its simplicity this algorithm will be useful in studying large scale complex metabolic networks in the cell of different organisms.

Thermodynamic analysis of a novel energy-efficient refrigeration system subcooled by liquid desiccant dehumidification and evaporation

International Nuclear Information System (INIS)

She, Xiaohui; Yin, Yonggao; Zhang, Xiaosong

2014-01-01

Highlights: • An energy-efficient refrigeration system with a novel subcooling method is proposed. • Thermodynamic analysis is conducted to discuss the effects of operation parameters. • Two different utilization ways of condensation heat are compared. • The system achieves much higher COP, even higher than reverse Carnot cycle. • Suggested mass concentration for LiCl–H 2 O is around 32% at a typical case. - Abstract: A new energy-efficient refrigeration system subcooled by liquid desiccant dehumidification and evaporation was proposed in this paper. In the system, liquid desiccant system could produce very dry air for an indirect evaporative cooler, which would subcool the vapor compression refrigeration system to get higher COP than conventional refrigeration system. The desiccant cooling system can use the condensation heat for the desiccant regeneration. Thermodynamic analysis is made to discuss the effects of operation parameters (condensing temperature, liquid desiccant concentration, ambient air temperature and relative humidity) on the system performance. Results show that the proposed hybrid vapor compression refrigeration system achieves significantly higher COP than conventional vapor compression refrigeration system, and even higher than the reverse Carnot cycle at the same operation conditions. The maximum COPs of the hybrid systems using hot air and ambient air are 18.8% and 16.3% higher than that of the conventional vapor compression refrigeration system under varied conditions, respectively

The OpenCalphad thermodynamic software interface

Science.gov (United States)

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

2017-01-01

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

ATP, IMP, and glycogen in cod muscle at onset and during development of rigor mortis depend on the sampling location

DEFF Research Database (Denmark)

Cappeln, Gertrud; Jessen, Flemming

2002-01-01

Variation in glycogen, ATP, and IMP contents within individual cod muscles were studied in ice stored fish during the progress of rigor mortis. Rigor index was determined before muscle samples for chemical analyzes were taken at 16 different positions on the fish. During development of rigor......, the contents of glycogen and ATP decreased differently in relation to rigor index depending on sampling location. Although fish were considered to be in strong rigor according to the rigor index method, parts of the muscle were not in rigor as high ATP concentrations were found in dorsal and tall muscle....

Assessment of the Methodological Rigor of Case Studies in the Field of Management Accounting Published in Journals in Brazil

Directory of Open Access Journals (Sweden)

Kelly Cristina Mucio Marques

2015-04-01

Full Text Available This study aims to assess the methodological rigor of case studies in management accounting published in Brazilian journals. The study is descriptive. The data were collected using documentary research and content analysis, and 180 papers published from 2008 to 2012 in accounting journals rated as A2, B1, and B2 that were classified as case studies were selected. Based on the literature, we established a set of 15 criteria that we expected to be identified (either explicitly or implicitly in the case studies to classify those case studies as appropriate from the standpoint of methodological rigor. These criteria were partially met by the papers analyzed. The aspects less aligned with those proposed in the literature were the following: little emphasis on justifying the need to understand phenomena in context; lack of explanation of the reason for choosing the case study strategy; the predominant use of questions that do not enable deeper analysis; many studies based on only one source of evidence; little use of data and information triangulation; little emphasis on the data collection method; a high number of cases in which confusion between case study as a research strategy and as data collection method were detected; a low number of papers reporting the method of data analysis; few reports on a study's contributions; and a minority highlighting the issues requiring further research. In conclusion, the method used to apply case studies to management accounting must be improved because few studies showed rigorous application of the procedures that this strategy requires.

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)

Separation of atropisomers by chiral liquid chromatography and thermodynamic analysis of separation mechanism

Directory of Open Access Journals (Sweden)

Ling Zhang

2017-06-01

Full Text Available In the pharmaceutical industry, the analysis of atropisomers is of considerable interest from a scientific and regulatory perspective. The compound of interest contains two stereogenic axes due to the hindered rotation around the single bonds connecting the aryl groups, which results in four potential configurational isomers (atropisomers. The separation of the four atropisomers is achieved on a derivatized β-cyclodextrin bonded stationary phase. Further investigation shows that low temperature conditions, including sample preparation (−70 °C, sample storage (−70 °C, and chromatographic separation (6 °C, were critical to preventing interconversion. LC-UV-Laser Polarimetric analysis identified peak 1/2 as a pair of enantiomers and peak 3/4 as another. Thermodynamic analysis of the retention data indicated that the separation of the pairs of enantiomers is primarily enthalpy controlled as indicated by the positive slope of the van’t Huff plot. The difference in absolute Δ (Δ H, ranged from 2.20 kJ/mol to 2.42 kJ/mol.

Thermodynamics of Accelerating Black Holes.

Science.gov (United States)

Appels, Michael; Gregory, Ruth; Kubizňák, David

2016-09-23

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

Development of a novel rotary desiccant cooling cycle with isothermal dehumidification and regenerative evaporative cooling using thermodynamic analysis method

International Nuclear Information System (INIS)

La, D.; Li, Y.; Dai, Y.J.; Ge, T.S.; Wang, R.Z.

2012-01-01

A novel rotary desiccant cooling cycle is proposed and studied using thermodynamic analysis method. The proposed cycle integrates the technologies of isothermal dehumidification and regenerative evaporative cooling, which are beneficial for irreversibility reduction. Thermodynamic investigation on the basic rotary desiccant cooling cycle shows that the exergy efficiency of the basic cycle is only 8.6%. The processes of desiccant dehumidification and evaporative cooling, which are essentially the basis for rotary desiccant cooling, affect the exergy performance of the cycle greatly and account for about one third of the total exergy destruction. The proposed cycle has potential to improve rotary desiccant cooling technology. It is advantageous in terms of both heat source utilization rate and space cooling capacity. The exergy efficiency of the new cycle is enhanced significantly to 29.1%, which is about three times that of the ventilation cycle, and 60% higher than that of the two-stage rotary desiccant cooling cycle. Furthermore, the regeneration temperature is reduced from 80 °C to about 60 °C. The corresponding specific exergy of the supply air is increased by nearly 30% when compared with the conventional cycles. -- Highlights: ► A novel rotary desiccant cooling cycle is developed using thermodynamic analysis method. ► Isothermal dehumidification and regenerative evaporative cooling have been integrated. ► The cycle is advantageous in terms of both heat source utilization rate and space cooling capacity. ► Cascaded energy utilization is beneficial for cycle performance improvement. ► Upper limits, which will be helpful to practical design and optimization, are obtained.

Thermodynamic monitoring and misfunction detection in turbocharged diesel engines

International Nuclear Information System (INIS)

Milazzo, A.N.; Bidini, G.

1992-01-01

Many kinds of fault detection systems for reciprocating engines have been proposed. Mostly these systems rely on dynamic analysis of engine behavior or chemical analysis of exhaust. Very few systems achieve a real on line diagnosis. On the other hand, land based and aeronautic turbine power plants are mostly equipped with thermodynamic fault detection systems (gas path analysis). The authors are trying to design a simple, cheap and reliable diesel engine monitoring system, performing a real time, continuous service. State of the art dynamics, gas path analysis and some new ideas will be used. Here we present the first part of this project, dealing with thermodynamic engine analysis. Soon we hope to present also a different approach, relying on engine dynamic analysis. This paper is mainly concerned with diesel engines. It seems reasonable to concentrate ourselves on large and based engines, whose size and cost justify the implementation of a fault detection system. Anyway many results are fairly general, and could be used for smaller engines, like vehicle engines, and other cases in which large number of units can lower costs

Disciplining Bioethics: Towards a Standard of Methodological Rigor in Bioethics Research

Science.gov (United States)

Adler, Daniel; Shaul, Randi Zlotnik

2012-01-01

Contemporary bioethics research is often described as multi- or interdisciplinary. Disciplines are characterized, in part, by their methods. Thus, when bioethics research draws on a variety of methods, it crosses disciplinary boundaries. Yet each discipline has its own standard of rigor—so when multiple disciplinary perspectives are considered, what constitutes rigor? This question has received inadequate attention, as there is considerable disagreement regarding the disciplinary status of bioethics. This disagreement has presented five challenges to bioethics research. Addressing them requires consideration of the main types of cross-disciplinary research, and consideration of proposals aiming to ensure rigor in bioethics research. PMID:22686634

Rigor index, fillet yield and proximate composition of cultured striped catfish (Pangasianodon hypophthalmus for its suitability in processing industries in Bangladesh

Directory of Open Access Journals (Sweden)

Salma Noor-E Islami

2014-12-01

Full Text Available Rigor-index in market-size striped catfish (Pangasianodon hypophthalmus, locally called Thai-Pangas was determined to assess fillet yield for production of value-added products. In whole fish, rigor started within 1 hr after death under both iced and room temperature conditions while rigor-index reached a maximum of 72.23% within 8 hr and 85.5% within 5 hr at room temperature and iced condition, respectively, which was fully relaxed after 22 hr under both storage conditions. Post-mortem muscle pH decreased to 6.8 after 2 hr, 6.2 after 8 hr and sharp increase to 6.9 after 9 hr. There was a positive correlation between rigor progress and pH shift in fish fillets. Hand filleting was done post-rigor and fillet yield experiment showed 50.4±2.1% fillet, 8.0±0.2% viscera, 8.0±1.3% skin and 32.0±3.2% carcass could be obtained from Thai-Pangas. Proximate composition analysis of four regions of Thai-Pangas viz., head region, middle region, tail region and viscera revealed moisture 78.36%, 81.14%, 81.45% and 57.33%; protein 15.83%, 15.97%, 16.14% and 17.20%; lipid 4.61%, 1.82%, 1.32% and 24.31% and ash 1.09%, 0.96%, 0.95% and 0.86%, respectively indicating suitability of Thai-Pangas for production of value-added products such as fish fillets.

Defect formation in LaGa(Mg,Ni)O3-δ : A statistical thermodynamic analysis validated by mixed conductivity and magnetic susceptibility measurements

Science.gov (United States)

Naumovich, E. N.; Kharton, V. V.; Yaremchenko, A. A.; Patrakeev, M. V.; Kellerman, D. G.; Logvinovich, D. I.; Kozhevnikov, V. L.

2006-08-01

A statistical thermodynamic approach to analyze defect thermodynamics in strongly nonideal solid solutions was proposed and validated by a case study focused on the oxygen intercalation processes in mixed-conducting LaGa0.65Mg0.15Ni0.20O3-δ perovskite. The oxygen nonstoichiometry of Ni-doped lanthanum gallate, measured by coulometric titration and thermogravimetric analysis at 923-1223K in the oxygen partial pressure range 5×10-5to0.9atm , indicates the coexistence of Ni2+ , Ni3+ , and Ni4+ oxidation states. The formation of tetravalent nickel was also confirmed by the magnetic susceptibility data at 77-600K , and by the analysis of p -type electronic conductivity and Seebeck coefficient as function of the oxygen pressure at 1023-1223K . The oxygen thermodynamics and the partial ionic and hole conductivities are strongly affected by the point-defect interactions, primarily the Coulombic repulsion between oxygen vacancies and/or electron holes and the vacancy association with Mg2+ cations. These factors can be analyzed by introducing the defect interaction energy in the concentration-dependent part of defect chemical potentials expressed by the discrete Fermi-Dirac distribution, and taking into account the probabilities of local configurations calculated via binomial distributions.

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.

Generalization of Gibbs Entropy and Thermodynamic Relation

OpenAIRE

Park, Jun Chul

2010-01-01

In this paper, we extend Gibbs's approach of quasi-equilibrium thermodynamic processes, and calculate the microscopic expression of entropy for general non-equilibrium thermodynamic processes. Also, we analyze the formal structure of thermodynamic relation in non-equilibrium thermodynamic processes.

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

African Journals Online (AJOL)

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

Thermodynamic analysis for molten stratification test MASCA with ionic liquid U-Zr-Fe-O-B-C-FPs database

International Nuclear Information System (INIS)

Fukasawa, Masanori; Tamura, Shigeyuki

2007-01-01

The molten corium stratification tested in the OECD MASCA project was analyzed with our thermo-dynamic database and the database was verified to be effective for the stratification analysis. The MASCA test shows that the molten corium can be stratified with the metal layer under the oxide when sub-oxidized corium including iron was retained in the lower head of the reactor vessel. This stratification is caused by the increased density of the metal layer attributed to a transfer of uranium metal that was reduced from uranium oxide by zirconium. Thermodynamic equilibrium calculations with the database, which was developed for the corium U-Zr-Fe-O-B-C-FPs system using the ionic two-sublattice model for liquid, show quantitative agreements with the MASCA test, such as the composition of each layer, fission product (FP) partitioning between the layers and B 4 C effect on the stratification. (author)

Student’s rigorous mathematical thinking based on cognitive style

Science.gov (United States)

Fitriyani, H.; Khasanah, U.

2017-12-01

The purpose of this research was to determine the rigorous mathematical thinking (RMT) of mathematics education students in solving math problems in terms of reflective and impulsive cognitive styles. The research used descriptive qualitative approach. Subjects in this research were 4 students of the reflective and impulsive cognitive style which was each consisting male and female subjects. Data collection techniques used problem-solving test and interview. Analysis of research data used Miles and Huberman model that was reduction of data, presentation of data, and conclusion. The results showed that impulsive male subjects used three levels of the cognitive function required for RMT that were qualitative thinking, quantitative thinking with precision, and relational thinking completely while the other three subjects were only able to use cognitive function at qualitative thinking level of RMT. Therefore the subject of impulsive male has a better RMT ability than the other three research subjects.

Entropy and black-hole thermodynamics

International Nuclear Information System (INIS)

Wald, R.M.

1979-01-01

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

MASTERS OF ANALYTICAL TRADECRAFT: CERTIFYING THE STANDARDS AND ANALYTIC RIGOR OF INTELLIGENCE PRODUCTS

Science.gov (United States)

2016-04-01

AU/ACSC/2016 AIR COMMAND AND STAFF COLLEGE AIR UNIVERSITY MASTERS OF ANALYTICAL TRADECRAFT: CERTIFYING THE STANDARDS AND ANALYTIC RIGOR OF...establishing unit level certified Masters of Analytic Tradecraft (MAT) analysts to be trained and entrusted to evaluate and rate the standards and...cues) ideally should meet or exceed effective rigor (based on analytical process).4 To accomplish this, decision makers should not be left to their

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

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...

Causality as a Rigorous Notion and Quantitative Causality Analysis with Time Series

Science.gov (United States)

Liang, X. S.

2017-12-01

Given two time series, can one faithfully tell, in a rigorous and quantitative way, the cause and effect between them? Here we show that this important and challenging question (one of the major challenges in the science of big data), which is of interest in a wide variety of disciplines, has a positive answer. Particularly, for linear systems, the maximal likelihood estimator of the causality from a series X2 to another series X1, written T2→1, turns out to be concise in form: T2→1 = [C11 C12 C2,d1 — C112 C1,d1] / [C112 C22 — C11C122] where Cij (i,j=1,2) is the sample covariance between Xi and Xj, and Ci,dj the covariance between Xi and ΔXj/Δt, the difference approximation of dXj/dt using the Euler forward scheme. An immediate corollary is that causation implies correlation, but not vice versa, resolving the long-standing debate over causation versus correlation. The above formula has been validated with touchstone series purportedly generated with one-way causality that evades the classical approaches such as Granger causality test and transfer entropy analysis. It has also been applied successfully to the investigation of many real problems. Through a simple analysis with the stock series of IBM and GE, an unusually strong one-way causality is identified from the former to the latter in their early era, revealing to us an old story, which has almost faded into oblivion, about "Seven Dwarfs" competing with a "Giant" for the computer market. Another example presented here regards the cause-effect relation between the two climate modes, El Niño and Indian Ocean Dipole (IOD). In general, these modes are mutually causal, but the causality is asymmetric. To El Niño, the information flowing from IOD manifests itself as a propagation of uncertainty from the Indian Ocean. In the third example, an unambiguous one-way causality is found between CO2 and the global mean temperature anomaly. While it is confirmed that CO2 indeed drives the recent global warming

Entropy, related thermodynamic properties, and structure of methylisocyanate

International Nuclear Information System (INIS)

Davis, Phil S.; Kilpatrick, John E.

2013-01-01

Highlights: ► The thermodynamic properties of methylisocyanate have been determined by isothermal calorimetry from 15 to 298.15 K. ► The third law entropy has been compared with the entropy calculated by statistical thermodynamics. ► The comparisons are consistent with selected proposed molecular structures and vibrational frequencies. -- Abstract: The entropy and related thermodynamic properties of methylisocyanate, CH 3 NCO, have been determined by isothermal calorimetry. The entropy in the ideal gas state at 298.15 K and 1 atmosphere is S m o = 284.3 ± 0.6 J/K · mol. Other thermodynamic properties determined include: the heat capacity from 15 to 300 K, the temperature of fusion (T fus = 178.461 ± 0.024 K), the enthalpy of fusion (ΔH fus = 7455.2 ± 14.0 J/mol), the enthalpy of vaporization at 298.15 K (ΔH vap = 28768 ± 54 J/mol), and the vapor pressure from fusion to 300 K. Using statistical thermodynamics, the entropy in this same state has been calculated for various assumed structures for methylisocyante which have been proposed based on several spectroscopic and ab initio results. Comparisons between the experimental and calculated entropy have led to the following conclusions concerning historical differences among problematic structural properties: (1) The CNC/CNO angles can have the paired values of 140/180° or 135/173° respectively. It is not possible to distinguish between the two by this thermodynamic analysis. (2) The methyl group functions as a free rotor or near free rotor against the NCO rigid frame. The barrier to internal rotation is less than 2100 J/mol. (3) The CNC vibrational bending frequency is consistent with the more recently observed assignments at 165 and 172 cm −1 with some degree of anharmonicity or with a pure harmonic at about 158 cm −1

Thermodynamics and statistical mechanics. [thermodynamic properties of gases

Science.gov (United States)

1976-01-01

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

Singularity-free interpretation of the thermodynamics of supercooled water

International Nuclear Information System (INIS)

Sastry, S.; Debenedetti, P.G.; Sciortino, F.; Stanley, H.E.

1996-01-01

The pronounced increases in isothermal compressibility, isobaric heat capacity, and in the magnitude of the thermal expansion coefficient of liquid water upon supercooling have been interpreted either in terms of a continuous, retracing spinodal curve bounding the superheated, stretched, and supercooled states of liquid water, or in terms of a metastable, low-temperature critical point. Common to these two scenarios is the existence of singularities associated with diverging density fluctuations at low temperature. We show that the increase in compressibility upon lowering the temperature of a liquid that expands on cooling, like water, is not contingent on any singular behavior, but rather is a thermodynamic necessity. We perform a thermodynamic analysis for an anomalous liquid (i.e., one that expands when cooled) in the absence of a retracing spinodal and show that one may in general expect a locus of compressibility extrema in the anomalous regime. Our analysis suggests that the simplest interpretation of the behavior of supercooled water consistent with experimental observations is free of singularities. We then develop a waterlike lattice model that exhibits no singular behavior, while capturing qualitative aspects of the thermodynamics of water. copyright 1996 The American Physical Society

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...

Rigorous analysis of non-magnetic cloaks

DEFF Research Database (Denmark)

Zhang, Jingjing; Luo, Yu; Mortensen, Asger

2010-01-01

Nonmagnetic cloak offers a feasible way to achieve invisibility at optical frequencies using materials with only electric responses. In this letter, we suggest an approximation of the ideal nonmagnetic cloak and quantitatively study its electromagnetic characteristics using a full-wave scattering...... to the surrounding material at the outer boundary. Our analysis also provides the flexibility of reducing the scattering in an arbitrary direction....

Thermodynamic analysis of a directly heated oxyfuel supercritical power system

International Nuclear Information System (INIS)

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

2016-01-01

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

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

International Nuclear Information System (INIS)

Ivanov, Evgeniy V.

2012-01-01

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

Comparison of rigorous modelling of different structure profiles on photomasks for quantitative linewidth measurements by means of UV- or DUV-optical microscopy

Science.gov (United States)

Ehret, Gerd; Bodermann, Bernd; Woehler, Martin