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Sample records for binary thermodynamic cycles

  1. Analyses of mixed-hydrocarbon binary thermodynamic cycles for moderate-temperature geothermal resources

    SciTech Connect

    Demuth, O.J.

    1981-02-01

    A number of binary geothermal cycles utilizing mixed hydrocarbon working fluids were analyzed with the overall objective of finding a working fluid which can produce low-cost electrical energy using a moderately-low temperature geothermal resource. Both boiling and supercritical shell-and-tube cycles were considered. The performance of a dual-boiling isobutane cycle supplied by a 280/sup 0/F hydrothermal resource (corresponding to the 5 MW pilot plant at the Raft River site in Idaho) was selected as a reference. To investigate the effect of resource temperature on the choice of working fluid, several analyses were conducted for a 360/sup 0/F hydrothermal resource, which is representative of the Heber resource in California. The hydrocarbon working fluids analyzed included methane, ethane, propane, isobutane, isopentane, hexane, heptane, and mixtures of those pure hydrocarbons. For comparison, two fluorocarbon refrigerants were also analyzed. These fluorocarbons, R-115 and R-22, were suggested as resulting in high values of net plant geofluid effectiveness (watt-hr/lbm geofluid) at the two resource temperatures chosen for the study. Preliminary estimates of relative heat exchanger size (product of overall heat transfer coefficient times heater surface area) were made for a number of the better performing cycles.

  2. Superfluid thermodynamic cycle refrigerator

    DOEpatents

    Swift, Gregory W.; Kotsubo, Vincent Y.

    1992-01-01

    A cryogenic refrigerator cools a heat source by cyclically concentrating and diluting the amount of .sup.3 He in a single phase .sup.3 He-.sup.4 He solution. The .sup.3 He in superfluid .sup.4 He acts in a manner of an ideal gas in a vacuum. Thus, refrigeration is obtained using any conventional thermal cycle, but preferably a Stirling or Carnot cycle. A single phase solution of liquid .sup.3 He at an initial concentration in superfluid .sup.4 He is contained in a first variable volume connected to a second variable volume through a superleak device that enables free passage of .sup.4 He while restricting passage of .sup.3 He. The .sup.3 He is compressed (concentrated) and expanded (diluted) in a phased manner to carry out the selected thermal cycle to remove heat from the heat load for cooling below 1 K.

  3. Superfluid thermodynamic cycle refrigerator

    DOEpatents

    Swift, G.W.; Kotsubo, V.Y.

    1992-12-22

    A cryogenic refrigerator cools a heat source by cyclically concentrating and diluting the amount of [sup 3]He in a single phase [sup 3]He-[sup 4]He solution. The [sup 3]He in superfluid [sup 4]He acts in a manner of an ideal gas in a vacuum. Thus, refrigeration is obtained using any conventional thermal cycle, but preferably a Stirling or Carnot cycle. A single phase solution of liquid [sup 3]He at an initial concentration in superfluid [sup 4]He is contained in a first variable volume connected to a second variable volume through a superleak device that enables free passage of [sup 4]He while restricting passage of [sup 3]He. The [sup 3]He is compressed (concentrated) and expanded (diluted) in a phased manner to carry out the selected thermal cycle to remove heat from the heat load for cooling below 1 K. 12 figs.

  4. Thermodynamics of combined cycle plant

    NASA Astrophysics Data System (ADS)

    Crane, R. I.

    The fundamental thermodynamics of power plants including definitions of performance criteria and an introduction to exergy are reviewed, and treatments of simplified performance calculations for the components which form the major building blocks and a gas/steam combined cycle plant are given: the gas turbine, the heat recovery steam generator, and the remainder of the steam plant. Efficiency relationships and energy and exergy analyses of combined cycle plant are presented, with examples. Among the aspects considered are gas turbine performance characteristics and fuels, temperature differences for heat recovery, multiple steam pressures and reheat, supplementary firing and feed water heating. Attention is drawn to points of thermodynamic interest arising from applications of combined cycle plant to repowering of existing steam plant and to combined heat and power (cogeneration); some advances, including coal firing, are also introduced.

  5. Thermodynamic stabilization of nanocrystalline binary alloys

    NASA Astrophysics Data System (ADS)

    Saber, Mostafa; Kotan, Hasan; Koch, Carl C.; Scattergood, Ronald O.

    2013-02-01

    The work presented here was motivated by the need to develop a predictive model for thermodynamic stabilization of binary alloys that is applicable to strongly segregating size-misfit solutes, and that can use available input data for a wide range of solvent-solute combinations. This will serve as a benchmark for selecting solutes and assessing the possible contribution of thermodynamic stabilization for development of high-temperature nanocrystalline alloys. Following a regular solution model that distinguishes the grain boundary and grain interior volume fractions by a transitional interface in a closed system, we include both the chemical and elastic strain energy contributions to the mixing enthalpy ΔHmix using an appropriately scaled linear superposition. The total Gibbs mixing free energy ΔGmix is minimized with respect to simultaneous variations in the grain-boundary volume fraction and the solute contents in the grain boundary and grain interior. The Lagrange multiplier method was used to obtain numerical solutions with the constraint of fixed total solute content. The model predictions are presented using a parametric variation of the required input parameters. Applications are then given for the dependence of the nanocrystalline grain size on temperature and total solute content for selected binary systems where experimental results suggest that thermodynamic stabilization could be effective.

  6. Detonation Jet Engine. Part 1--Thermodynamic Cycle

    ERIC Educational Resources Information Center

    Bulat, Pavel V.; Volkov, Konstantin N.

    2016-01-01

    We present the most relevant works on jet engine design that utilize thermodynamic cycle of detonative combustion. The efficiency advantages of thermodynamic detonative combustion cycle over Humphrey combustion cycle at constant volume and Brayton combustion cycle at constant pressure were demonstrated. An ideal Ficket-Jacobs detonation cycle, and…

  7. Modeling and analysis of advanced binary cycles

    SciTech Connect

    Gawlik, K.

    1997-12-31

    A computer model (Cycle Analysis Simulation Tool, CAST) and a methodology have been developed to perform value analysis for small, low- to moderate-temperature binary geothermal power plants. The value analysis method allows for incremental changes in the levelized electricity cost (LEC) to be determined between a baseline plant and a modified plant. Thermodynamic cycle analyses and component sizing are carried out in the model followed by economic analysis which provides LEC results. The emphasis of the present work is on evaluating the effect of mixed working fluids instead of pure fluids on the LEC of a geothermal binary plant that uses a simple Organic Rankine Cycle. Four resources were studied spanning the range of 265{degrees}F to 375{degrees}F. A variety of isobutane and propane based mixtures, in addition to pure fluids, were used as working fluids. This study shows that the use of propane mixtures at a 265{degrees}F resource can reduce the LEC by 24% when compared to a base case value that utilizes commercial isobutane as its working fluid. The cost savings drop to 6% for a 375{degrees}F resource, where an isobutane mixture is favored. Supercritical cycles were found to have the lowest cost at all resources.

  8. Thermodynamic Cycles--One More Time.

    ERIC Educational Resources Information Center

    Nolan, Michael J.

    1995-01-01

    Discusses interesting aspects of the Carnot cycle and other thermodynamic cycles that are generally not dealt with in elementary physics texts. Presents examples that challenge the student to think about the extraction of net work from a cycle. (JRH)

  9. Thermodynamics of magnetized binary compact objects

    SciTech Connect

    Uryu, Koji; Gourgoulhon, Eric; Markakis, Charalampos

    2010-11-15

    Binary systems of compact objects with electromagnetic field are modeled by helically symmetric Einstein-Maxwell spacetimes with charged and magnetized perfect fluids. Previously derived thermodynamic laws for helically symmetric perfect-fluid spacetimes are extended to include the electromagnetic fields, and electric currents and charges; the first law is written as a relation between the change in the asymptotic Noether charge {delta}Q and the changes in the area and electric charge of black holes, and in the vorticity, baryon rest mass, entropy, charge and magnetic flux of the magnetized fluid. Using the conservation laws of the circulation of magnetized flow found by Bekenstein and Oron for the ideal magnetohydrodynamic fluid, and also for the flow with zero conducting current, we show that, for nearby equilibria that conserve the quantities mentioned above, the relation {delta}Q=0 is satisfied. We also discuss a formulation for computing numerical solutions of magnetized binary compact objects in equilibrium with emphasis on a first integral of the ideal magnetohydrodynamic-Euler equation.

  10. Irreversible cycle in linear irreversible thermodynamics

    NASA Astrophysics Data System (ADS)

    Wang, Xian-Zhi

    2010-10-01

    The reversible Carnot cycle in reversible thermodynamics is composed of two reversible heat exchange processes and two reversible adiabatic processes. We construct an irreversible cycle in linear irreversible thermodynamics by analogy with the reversible Carnot cycle. The irreversible cycle is composed of two linear irreversible heat exchange processes and two linear irreversible adiabatic processes. It is found that the Curzon-Alhborn efficiency can be attained if the power for each of the four linear irreversible processes reaches its maximum. The maximum efficiency is the Carnot efficiency. The strong coupling condition is prerequisite for the respective attainment of the Curzon-Alhborn efficiency and the Carnot efficiency.

  11. Some Considerations about Thermodynamic Cycles

    ERIC Educational Resources Information Center

    da Silva, M. F. Ferreira

    2012-01-01

    After completing their introductory studies on thermodynamics at the university level, typically in a second-year university course, most students show a number of misconceptions. In this work, we identify some of those erroneous ideas and try to explain their origins. We also give a suggestion to attack the problem through a systematic and…

  12. Some Considerations about Thermodynamic Cycles

    ERIC Educational Resources Information Center

    da Silva, M. F. Ferreira

    2012-01-01

    After completing their introductory studies on thermodynamics at the university level, typically in a second-year university course, most students show a number of misconceptions. In this work, we identify some of those erroneous ideas and try to explain their origins. We also give a suggestion to attack the problem through a systematic and…

  13. Quantum thermodynamic cycle with quantum phase transition

    NASA Astrophysics Data System (ADS)

    Ma, Yu-Han; Su, Shan-He; Sun, Chang-Pu

    2017-08-01

    With the Lipkin-Meshkov-Glick (LMG) model as an illustration, we construct a thermodynamic cycle composed of two isothermal processes and two isomagnetic field processes, and we study the thermodynamic performance of this cycle accompanied by the quantum phase transition (QPT). We find that for a finite particle system working below the critical temperature, the efficiency of the cycle is capable of approaching the Carnot limit when the external magnetic field λ1 corresponding to one of the isomagnetic processes reaches the cross point of the ground states' energy level, which can become the critical point of the QPT in the large-N limit. Our analysis proves that the system's energy level crossings at low-temperature limits can lead to a significant improvement in the efficiency of the quantum heat engine. In the case of the thermodynamics limit (N →∞ ) , the analytical partition function is obtained to study the efficiency of the cycle at high- and low-temperature limits. At low temperatures, when the magnetic fields of the isothermal processes are located on both sides of the critical point of the QPT, the cycle reaches maximum efficiency, and the Carnot efficiency can be achieved. This observation demonstrates that the QPT of the LMG model below critical temperature is beneficial to the thermodynamic cycle's operation.

  14. Quantum thermodynamic cycle with quantum phase transition.

    PubMed

    Ma, Yu-Han; Su, Shan-He; Sun, Chang-Pu

    2017-08-01

    With the Lipkin-Meshkov-Glick (LMG) model as an illustration, we construct a thermodynamic cycle composed of two isothermal processes and two isomagnetic field processes, and we study the thermodynamic performance of this cycle accompanied by the quantum phase transition (QPT). We find that for a finite particle system working below the critical temperature, the efficiency of the cycle is capable of approaching the Carnot limit when the external magnetic field λ_{1} corresponding to one of the isomagnetic processes reaches the cross point of the ground states' energy level, which can become the critical point of the QPT in the large-N limit. Our analysis proves that the system's energy level crossings at low-temperature limits can lead to a significant improvement in the efficiency of the quantum heat engine. In the case of the thermodynamics limit (N→∞), the analytical partition function is obtained to study the efficiency of the cycle at high- and low-temperature limits. At low temperatures, when the magnetic fields of the isothermal processes are located on both sides of the critical point of the QPT, the cycle reaches maximum efficiency, and the Carnot efficiency can be achieved. This observation demonstrates that the QPT of the LMG model below critical temperature is beneficial to the thermodynamic cycle's operation.

  15. A thermodynamic cycle for the solar cell

    NASA Astrophysics Data System (ADS)

    Alicki, Robert; Gelbwaser-Klimovsky, David; Jenkins, Alejandro

    2017-03-01

    A solar cell is a heat engine, but textbook treatments are not wholly satisfactory from a thermodynamic standpoint, since they present solar cells as directly converting the energy of light into electricity, and the current in the circuit as maintained by an electrostatic potential. We propose a thermodynamic cycle in which the gas of electrons in the p phase serves as the working substance. The interface between the p and n phases acts as a self-oscillating piston that modulates the absorption of heat from the photons so that it may perform a net positive work during a complete cycle of its motion, in accordance with the laws of thermodynamics. We draw a simple hydrodynamical analogy between this model and the ;putt-putt; engine of toy boats, in which the interface between the water's liquid and gas phases serves as the piston. We point out some testable consequences of this model.

  16. A metabolic thermodynamic theory of cell cycle

    NASA Astrophysics Data System (ADS)

    Kummer, A.; Ocone, R.

    2003-08-01

    Due to its intrinsic complexity, a complete mathematical description of the cell cycle appears a difficult task. Nevertheless, a preliminary analysis, based on molecular biology, can help in clarifying what are the reliable tools for a quantitative approach. In a previous paper [Physica A 321 (3-4) (2003) 587], the steps to be followed to formulate a metabolic statistical thermodynamics have been established. Here we present a simple mathematical model for the interaction of CyclinB and Cdh1 [The Cell Cycle. An Introduction, Oxford University Press, New York, 1993], with the aim of analysing the properties of the system from a thermodynamic viewpoint. The model is shown to define the Gibbs phase integral of the system and the general Gibbs energy function is obtained. This, together with the analogue of the temperature, defines the working tools indispensable for the formulation of a metabolic statistical thermodynamic-like theory.

  17. Nonequilibrium thermodynamics with binary quantum correlations

    NASA Astrophysics Data System (ADS)

    Morawetz, K.

    2017-09-01

    The balance equations for thermodynamic quantities are derived from the nonlocal quantum kinetic equation. The nonlocal collisions lead to molecular contributions to the observables and currents. The corresponding correlated parts of the observables are found to be given by the rate to form a molecule multiplied with its lifetime which can be considered as collision duration. Explicit expressions of these molecular contributions are given in terms of the scattering phase shifts. The two-particle form of the entropy is derived extending the Landau quasiparticle picture by two-particle molecular contributions. There is a continuous exchange of correlation and kinetic energies condensing into the rate of correlated variables for energy and momentum. For the entropy, an explicit gain remains and Boltzmann's H theorem is proved including the molecular parts of the entropy.

  18. Quantum Maxwell's demon in thermodynamic cycles.

    PubMed

    Dong, H; Xu, D Z; Cai, C Y; Sun, C P

    2011-06-01

    We study the physical mechanism of Maxwell's demon (MD), which helps do extra work in thermodynamic cycles with the heat engine. This is exemplified with one molecule confined in an infinitely deep square potential with a movable solid wall. The MD is modeled as a two-level system (TLS) for measuring and controlling the motion of the molecule. The processes in the cycle are described in a quantum fashion. It is discovered that a MD with quantum coherence or one at a temperature lower than the molecule's heat bath can enhance the ability of the whole working substance, formed by the heat engine plus the MD, to do work outside. This observation reveals that the essential role of the MD is to drive the whole working substance off equilibrium, or equivalently, to work between two heat baths with different effective temperatures. The elaborate studies with this model explicitly reveal the effect of finite size off the classical limit or thermodynamic limit, which contradicts common sense on a Szilard heat engine (SHE). The quantum SHE's efficiency is evaluated in detail to prove the validity of the second law of thermodynamics.

  19. Quantum Maxwell's demon in thermodynamic cycles

    NASA Astrophysics Data System (ADS)

    Dong, H.; Xu, D. Z.; Cai, C. Y.; Sun, C. P.

    2011-06-01

    We study the physical mechanism of Maxwell’s demon (MD), which helps do extra work in thermodynamic cycles with the heat engine. This is exemplified with one molecule confined in an infinitely deep square potential with a movable solid wall. The MD is modeled as a two-level system (TLS) for measuring and controlling the motion of the molecule. The processes in the cycle are described in a quantum fashion. It is discovered that a MD with quantum coherence or one at a temperature lower than the molecule’s heat bath can enhance the ability of the whole working substance, formed by the heat engine plus the MD, to do work outside. This observation reveals that the essential role of the MD is to drive the whole working substance off equilibrium, or equivalently, to work between two heat baths with different effective temperatures. The elaborate studies with this model explicitly reveal the effect of finite size off the classical limit or thermodynamic limit, which contradicts common sense on a Szilard heat engine (SHE). The quantum SHE’s efficiency is evaluated in detail to prove the validity of the second law of thermodynamics.

  20. Local Thermodynamic Measurements of Dilute Binary Alloys Using XAFS

    NASA Astrophysics Data System (ADS)

    Newville, Matthew George

    1995-01-01

    Temperature-dependent x-ray-absorption fine-structure (XAFS) measurements are presented for pure Ag, pure Au, and the minority component of several dilute binary alloys with majority components of Ag or Au. The analyses of the XAFS data at and above room temperature are used to determine local thermodynamic quantities for the impurity -host bonds. Thermodynamic quantities are determined for interatomic bonds from the XAFS measurements using a one-dimensional anharmonic model for the interatomic potential between near-neighbor atoms. The effect on the XAFS for two atoms bound by such a potential is found in terms of the force constants of the potential. This formalism is then used in the analyses of the experimental XAFS data to find the force constants of the various interatomic bonds. Thermodynamic properties are written in terms of the force constants for this potential. The results of the XAFS analyses are used in this way to determine thermodynamic properties of the interatomic bonds between near-neighbors. The XAFS measurements of the thermodynamic parameters for pure Ag and Au are in reasonable agreement with bulk measurements. Based on this agreement, the newly developed ability of XAFS to determine thermodynamic properties of interatomic bonds is combined with the well-established ability of XAFS to measure impurity-host bonds in dilute alloys. This allows previously unavailable local thermodynamic parameters for interatomic bonds in dilute binary alloys to be determined. XAFS analysis techniques have been developed to exploit theoretical calculations from the computer code scFEFF. These techniques use the scFEFF calculations as theoretical standards to determine physical parameters about the atomic structure from the experimentally measured XAFS spectra. An R-space description of XAFS, based on the Fourier transform, is used in the analysis. This suggests a natural approach to the information content of XAFS data, and simplifies the estimation of the

  1. Reaction cycle and thermodynamics in bacteriorhodopsin

    NASA Technical Reports Server (NTRS)

    Lanyi, J. K.

    1992-01-01

    Light causes the all-trans to 13-cis isomerization of the retinal in bacteriorhodopsin; the thermal relaxation leading back to the initial state drives proton transport first via proton transfer between the retinal Schiff base and D85 and then between the Schiff base and D96. The reaction sequence and thermodynamics of this photocycle are described by measuring time-resolved absorption changes with a gated multichannel analyzer between 100 ns and 100 ms, at six temperatures between 5 degrees C and 30 degrees C. Analysis of the energetics of the chromophore reaction sequence is on the basis of a recently proposed model (Varo & Lanyi, Biochemistry 30, 5016-5022, 1991) which consists of a single cycle and many reversible reactions: BR -hv-->K<==>L<==>M1-->M2<==>N<==>O-->BR. The existence of the M1-->M2 reaction, which functions as the switch in the proton transfer, is confirmed by spectroscopic evidence. The calculated thermodynamic parameters indicate that the exchange of free energy between the protein and the protons is at the switch step. Further, a large entropy decrease at this reaction suggests a protein conformation change which will conserve delta G for driving the completion of the reaction cycle. The results provide insights to mechanism and energy coupling in this system, with possible relevance to the general question of how ion pumps function.

  2. CFD analysis of thermodynamic cycles in a pulse tube refrigerator

    NASA Astrophysics Data System (ADS)

    Chen, Ling; Zhang, Yu; Luo, Ercang; Li, Teng; Wei, Xiaolin

    2010-11-01

    The objectives of this paper are to study the thermodynamic cycles in an inertance tube pulse tube refrigerator (ITPTR) by means of CFD method. The simulation results show that gas parcels working in different parts of ITPTR undergo different thermodynamic cycles. The net effects of those thermodynamic cycles are pumping heat from the low temperature part to the high temperature part of the system. The simulation results also show that under different frequencies of piston movement, the gas parcels working in the same part of the system will undergo the same type of thermodynamic cycles. The simulated thermal cycles are compared with those thermodynamic analysis results from a reference. Comparisons show that both CFD simulations and theoretical analysis predict the same type of thermal cycles at the same location. However, only CFD simulation can give the quantitative results, while the thermodynamic analysis is still remaining in quality.

  3. Reversible thermodynamic cycle for AMTEC power conversion

    NASA Technical Reports Server (NTRS)

    Vining, Cronin B.; Williams, Roger M.; Underwood, Mark L.; Ryan, M. A.; Suitor, Jerry W.

    1992-01-01

    The thermodynamic cycle appropriate to an AMTEC (alkali metal thermal-to-electric converter) cell is discussed for both liquid- and vapor-fed modes of operation, under the assumption that all processes can be performed reversibly. In the liquid-fed mode, the reversible efficiency is greater than 89.6 percent of Carnot efficiency for heat input and rejection temperatures (900-1300 K and 400-800 K, respectively) typical of practical devices. Vapor-fed cells can approach the efficiency of liquid-fed cells. Quantitative estimates confirm that the efficiency is insensitive to either the work required to pressurize the sodium liquid or the details of the state changes associated with cooling the low pressure sodium gas to the heat rejection temperature.

  4. Thermodynamic modeling of the Ge-La binary system

    NASA Astrophysics Data System (ADS)

    Liu, Miao; Li, Chang-rong; Du, Zhen-min; Guo, Cui-ping; Niu, Chun-ju

    2012-08-01

    The Ge-La binary system was critically assessed by means of the calculation of phase diagram (CALPHAD) technique. The associate model was used for the liquid phase containing the constituent species Ge, La, Ge3La5, and Ge1.7La. The terminal solid solution diamond-(Ge) with a small solubility of La was described using the substitutional model, in which the excess Gibbs energy was formulated with the Redlich-Kister equation. The compounds with homogeneity ranges, α(Ge1.7La), β(Ge1.7La), and (GeLa), were modeled using two sublattices as α(Ge,La)1.7La, β(Ge,La)1.7La, and (Ge,La)(Ge,La), respectively. The intermediate phases with no solubility ranges, Ge4La5, Ge3La4, Ge3La5, and GeLa3, were treated as stoichiometric compounds. The three allotropic modifications of La, dhcp-La, fcc-La, and bcc-La, were kept as pure element phases since no solubility of Ge in La was reported. A set of self-consistent thermodynamic parameters of the Ge-La binary system was obtained. The calculation results agree well with the available experimental data from literatures.

  5. Modern geothermal power: Binary cycle geothermal power plants

    NASA Astrophysics Data System (ADS)

    Tomarov, G. V.; Shipkov, A. A.

    2017-04-01

    In the second part of the review of modern geothermal power plant technologies and equipment, a role, a usage scale, and features of application of binary cycle plants in the geothermal economy are considered. Data on the use of low-boiling fluids, their impact on thermal parameters and performance of geothermal binary power units are presented. A retrospective of the use of various low-boiling fluids in industrial binary power units in the world since 1965 is shown. It is noted that the current generating capacity of binary power units running on hydrocarbons is equal to approximately 82.7% of the total installed capacity of all the binary power units in the world. At the same time over the past 5 years, the total installed capacity of geothermal binary power units in 25 countries increased by more than 50%, reaching nearly 1800 MW (hereinafter electric power is indicated), by 2015. A vast majority of the existing binary power plants recovers heat of geothermal fluid in the range of 100-200°C. Binary cycle power plants have an average unit capacity of 6.3 MW, 30.4 MW at single-flash power plants, 37.4 MW at double-flash plants, and 45.4 MW at power plants working on superheated steam. The largest binary cycle geothermal power plants (GeoPP) with an installed capacity of over 60 MW are in operation in the United States and the Philippines. In most cases, binary plants are involved in the production process together with a steam cycle. Requirements to the fluid ensuring safety, reliability, and efficiency of binary power plants using heat of geothermal fluid are determined, and differences and features of their technological processes are shown. Application of binary cycle plants in the technological process of combined GeoPPs makes it possible to recover geothermal fluid more efficiently. Features and advantages of binary cycle plants using multiple fluids, including a Kalina Cycle, are analyzed. Technical characteristics of binary cycle plants produced by various

  6. Thermodynamic instabilities of a binary mixture of sticky hard spheres.

    PubMed

    Fantoni, Riccardo; Gazzillo, Domenico; Giacometti, Achille

    2005-07-01

    The thermodynamic instabilities of a binary mixture of sticky hard spheres (SHS) in the modified mean spherical approximation (mMSA) and the Percus-Yevick (PY) approximation are investigated using an approach devised by Chen and Forstmann [corrected] [J. Chem. Phys. [corrected] 97, 3696 (1992)]. This scheme hinges on a diagonalization of the matrix of second functional derivatives of the grand canonical potential with respect to the particle density fluctuations. The zeroes of the smallest eigenvalue and the direction of the relative eigenvector characterize the instability uniquely. We explicitly compute three different classes of examples. For a symmetrical binary mixture, analytical calculations, both for mMSA and for PY, predict that when the strength of adhesiveness between like particles is smaller than the one between unlike particles, only a pure condensation spinodal exists; in the opposite regime, a pure demixing spinodal appears at high densities. We then compare the mMSA and PY results for a mixture where like particles interact as hard spheres (HS) and unlike particles as SHS, and for a mixture of HS in a SHS fluid. In these cases, even though the mMSA and PY spinodals are quantitatively and qualitatively very different from each other, we prove that they have the same kind of instabilities. Finally, we study the mMSA solution for five different mixtures obtained by setting the stickiness parameters equal to five different functions of the hard sphere diameters. We find that four of the five mixtures exhibit very different type of instabilities. Our results are expected to provide a further step toward a more thoughtful application of SHS models to colloidal fluids.

  7. Importance of the specific heat anomaly in the design of binary Rankine cycle power plants

    SciTech Connect

    Pope, W.L.; Doyle, P.A.; Fulton, R.L.; Silvester, L.F.

    1980-05-01

    The transposed critical temperature (TPCT) is shown to be an extremely important thermodynamic property in the selection of working fluids and turbine states for geothermal power plants operating on a closed organic (binary) Rankine cycle. When the optimum working fluid composition and process states are determined for specified source and sink conditions, turbine inlet states consistently lie adjacent to the working fluids' TPCT line for all resource temperatures, constraints, and cost and efficiency factors investigated.

  8. Thermodynamic design of natural gas liquefaction cycles for offshore application

    NASA Astrophysics Data System (ADS)

    Chang, Ho-Myung; Lim, Hye Su; Choe, Kun Hyung

    2014-09-01

    A thermodynamic study is carried out for natural gas liquefaction cycles applicable to offshore floating plants, as partial efforts of an ongoing governmental project in Korea. For offshore liquefaction, the most suitable cycle may be different from the on-land LNG processes under operation, because compactness and simple operation are important as well as thermodynamic efficiency. As a turbine-based cycle, closed Claude cycle is proposed to use NG (natural gas) itself as refrigerant. The optimal condition for NG Claude cycle is determined with a process simulator (Aspen HYSYS), and the results are compared with fully-developed C3-MR (propane pre-cooled mixed refrigerant) JT cycles and various N2 (nitrogen) Brayton cycles in terms of efficiency and compactness. The newly proposed NG Claude cycle could be a good candidate for offshore LNG processes.

  9. Not all counterclockwise thermodynamic cycles are refrigerators

    NASA Astrophysics Data System (ADS)

    Dickerson, R. H.; Mottmann, J.

    2016-06-01

    Clockwise cycles on PV diagrams always represent heat engines. It is therefore tempting to assume that counterclockwise cycles always represent refrigerators. This common assumption is incorrect: most counterclockwise cycles cannot be refrigerators. This surprising result is explored here for quasi-static ideal gas cycles, and the necessary conditions for refrigeration cycles are clarified. Three logically self-consistent criteria can be used to determine if a counterclockwise cycle is a refrigerator. The most fundamental test compares the counterclockwise cycle with a correctly determined corresponding Carnot cycle. Other criteria we employ include a widely accepted description of the functional behavior of refrigerators, and a corollary to the second law that limits a refrigerator's coefficient of performance.

  10. Improving geothermal power plants with a binary cycle

    NASA Astrophysics Data System (ADS)

    Tomarov, G. V.; Shipkov, A. A.; Sorokina, E. V.

    2015-12-01

    The recent development of binary geothermal technology is analyzed. General trends in the introduction of low-temperature geothermal sources are summarized. The use of single-phase low-temperature geothermal fluids in binary power plants proves possible and expedient. The benefits of power plants with a binary cycle in comparison with traditional systems are shown. The selection of the working fluid is considered, and the influence of the fluid's physicochemical properties on the design of the binary power plant is discussed. The design of binary power plants is based on the chemical composition and energy potential of the geothermal fluids and on the landscape and climatic conditions at the intended location. Experience in developing a prototype 2.5 MW Russian binary power unit at Pauzhetka geothermal power plant (Kamchatka) is outlined. Most binary systems are designed individually for a specific location. Means of improving the technology and equipment at binary geothermal power plants are identified. One option is the development of modular systems based on several binary systems that employ the heat from the working fluid at different temperatures.

  11. Critical evaluation and thermodynamic optimization of the U-Pb and U-Sb binary systems

    NASA Astrophysics Data System (ADS)

    Wang, Jian; Jin, Liling; Chen, Chuchu; Rao, Weifeng; Wang, Cuiping; Liu, Xingjun

    2016-11-01

    A complete literature review, critical evaluation and thermodynamic optimization of the phase diagrams and thermodynamic properties of U-Pb and U-Sb binary systems are presented. The CALculation of PHAse Diagrams (CALPHAD) method was used for the thermodynamic optimization, the results of which can reproduce all available reliable experimental phase equilibria and thermodynamic data. The modified quasi-chemical model in the pair approximation (MQMPA) was used for modeling the liquid solution. The Gibbs energies of all terminal solid solutions and intermetallic compounds were described by the compound energy formalism (CEF) model. All reliable experimental data of the U-Pb and U-Sb systems have been reproduced. A self-consistent thermodynamic database has been constructed for these binary systems; this database can be used in liquid-metal fuel reactor (LMFR) research.

  12. Quantum thermodynamic processes: a control theory for machine cycles

    NASA Astrophysics Data System (ADS)

    Birjukov, J.; Jahnke, T.; Mahler, G.

    2008-07-01

    The minimal set of thermodynamic control parameters consists of a statistical (thermal) and a mechanical one. These suffice to introduce all the pertinent thermodynamic variables; thermodynamic processes can then be defined as paths on this 2-dimensional control plane. Putting aside coherence we show that for a large class of quantum objects with discrete spectra and for the cycles considered the Carnot efficiency applies as a universal upper bound. In the dynamic (finite time) regime renormalized thermodynamic variables allow to include non-equilibrium phenomena in a systematic way. The machine function ceases to exist in the large speed limit; the way, in which this limit is reached, depends on the type of cycle considered.

  13. Milankovitch cycles of terrestrial planets in binary star systems

    NASA Astrophysics Data System (ADS)

    Forgan, Duncan

    2016-12-01

    The habitability of planets in binary star systems depends not only on the radiation environment created by the two stars, but also on the perturbations to planetary orbits and rotation produced by the gravitational field of the binary and neighbouring planets. Habitable planets in binaries may therefore experience significant perturbations in orbit and spin. The direct effects of orbital resonances and secular evolution on the climate of binary planets remain largely unconsidered. We present latitudinal energy balance modelling of exoplanet climates with direct coupling to an N-Body integrator and an obliquity evolution model. This allows us to simultaneously investigate the thermal and dynamical evolution of planets orbiting binary stars, and discover gravito-climatic oscillations on dynamical and secular time-scales. We investigate the Kepler-47 and Alpha Centauri systems as archetypes of P- and S-type binary systems, respectively. In the first case, Earth-like planets would experience rapid Milankovitch cycles (of order 1000 yr) in eccentricity, obliquity and precession, inducing temperature oscillations of similar periods (modulated by other planets in the system). These secular temperature variations have amplitudes similar to those induced on the much shorter time-scale of the binary period. In the Alpha Centauri system, the influence of the secondary produces eccentricity variations on 15 000 yr time-scales. This produces climate oscillations of similar strength to the variation on the orbital time-scale of the binary. Phase drifts between eccentricity and obliquity oscillations creates further cycles that are of order 100 000 yr in duration, which are further modulated by neighbouring planets.

  14. Investment and operating costs of binary cycle geothermal power plants

    NASA Technical Reports Server (NTRS)

    Holt, B.; Brugman, J.

    1974-01-01

    Typical investment and operating costs for geothermal power plants employing binary cycle technology and utilizing the heat energy in liquid-dominated reservoirs are discussed. These costs are developed as a function of reservoir temperature. The factors involved in optimizing plant design are discussed. A relationship between the value of electrical energy and the value of the heat energy in the reservoir is suggested.

  15. Ab initio atomistic thermodynamics study on the oxidation mechanism of binary and ternary alloy surfaces

    SciTech Connect

    Liu, Shi-Yu; Liu, Shiyang; Li, De-Jun; Wang, Sanwu; Guo, Jing; Shen, Yaogen

    2015-02-14

    Utilizing a combination of ab initio density-functional theory and thermodynamics formalism, we have established the microscopic mechanisms for oxidation of the binary and ternary alloy surfaces and provided a clear explanation for the experimental results of the oxidation. We construct three-dimensional surface phase diagrams (SPDs) for oxygen adsorption on three different Nb-X(110) (X = Ti, Al or Si) binary alloy surfaces. On the basis of the obtained SPDs, we conclude a general microscopic mechanism for the thermodynamic oxidation, that is, under O-rich conditions, a uniform single-phase SPD (type I) and a nonuniform double-phase SPD (type II) correspond to the sustained complete selective oxidation and the non-sustained partial selective oxidation by adding the X element, respectively. Furthermore, by revealing the framework of thermodynamics for the oxidation mechanism of ternary alloys through the comparison of the surface energies of two separated binary alloys, we provide an understanding for the selective oxidation behavior of the Nb ternary alloy surfaces. Using these general microscopic mechanisms, one could predict the oxidation behavior of any binary and multi-component alloy surfaces based on thermodynamics considerations.

  16. The Otto thermodynamic cycle using the magnetic molecule Ni2

    NASA Astrophysics Data System (ADS)

    Hübner, Wolfgang; Dong, Chuanding; Lefkidis, Georgios

    2012-02-01

    In order to design realistic molecular heat engines, the study of quantum thermodynamics is essential since classical thermodynamics does not apply in this extreme miniaturization limit [1,2]. Realizing a thermodynamic cycle on an existing magnetic molecule embodies a novel and unique approach to understand and exploit the thermodynamic properties of spin at the molecular level.Here we propose an Otto cycle in the Ni2 dimer based on a fully ab-initio calculation of the electronic states and the perturbative inclusion of spin-orbit coupling. A laser pulse, described by the time-dependent Schr"odinger equation, is used to heat the Ni2 dimer. The pulse not only excites the electrons to higher, many-body electronic states, but also influences the spin of the system due to spin-orbit coupling. Using a low-temperature thermal bath the system is cooled back to the ground state. The adiabatic work exchange between the Ni2 and the environment is described by the quasi-static expansion or compression of the bond length of the dimer. The calculated efficiency of the cycle is up to 34%.[1] T. D. Kieu, Phys. Rev. Lett. 93 140403 (2004)[2] H. T. Quan, Phys. Rev. E 79 041129 (2009)[3] T. Zhang et al., Phys. Rev. A 75 062102 (2007)

  17. PHASE EQUILIBRIA INVESTIGATION OF BINARY, TERNARY, AND HIGHER ORDER SYSTEMS. PART 9. CALCULATION OF THERMODYNAMIC QUANTITIES FROM PHASE DIAGRAMS

    DTIC Science & Technology

    The thermodynamic fundamentals relating phase equilibria in binary and ternary systems to the thermodynamic properties of the phases are reviewed and...system demonstrate the application of the equations for extracting thermodynamic data from phase diagrams and also for the prediction of phase equilibria .

  18. Thermodynamic properties and diffusion of water + methane binary mixtures

    SciTech Connect

    Shvab, I.; Sadus, Richard J.

    2014-03-14

    Thermodynamic and diffusion properties of water + methane mixtures in a single liquid phase are studied using NVT molecular dynamics. An extensive comparison is reported for the thermal pressure coefficient, compressibilities, expansion coefficients, heat capacities, Joule-Thomson coefficient, zero frequency speed of sound, and diffusion coefficient at methane concentrations up to 15% in the temperature range of 298–650 K. The simulations reveal a complex concentration dependence of the thermodynamic properties of water + methane mixtures. The compressibilities, heat capacities, and diffusion coefficients decrease with increasing methane concentration, whereas values of the thermal expansion coefficients and speed of sound increase. Increasing methane concentration considerably retards the self-diffusion of both water and methane in the mixture. These effects are caused by changes in hydrogen bond network, solvation shell structure, and dynamics of water molecules induced by the solvation of methane at constant volume conditions.

  19. General approach to the testing of binary solubility systems for thermodynamic consistency. Consolidated Fuel Reprocessing Program

    SciTech Connect

    Hamm, L.L.; Van Brunt, V.

    1982-08-01

    A comparison of implicit Runge-Kutta and orthogonal collocation methods is made for the numerical solution to the ordinary differential equation which describes the high-pressure vapor-liquid equilibria of a binary system. The systems of interest are limited to binary solubility systems where one of the components is supercritical and exists as a noncondensable gas in the pure state. Of the two methods - implicit Runge-Kuta and orthogonal collocation - this paper attempts to present some preliminary but not necessarily conclusive results that the implicit Runge-Kutta method is superior for the solution to the ordinary differential equation utilized in the thermodynamic consistency testing of binary solubility systems. Due to the extreme nonlinearity of thermodynamic properties in the region near the critical locus, an extended cubic spline fitting technique is devised for correlating the P-x data. The least-squares criterion is employed in smoothing the experimental data. Even though the derivation is presented specifically for the correlation of P-x data, the technique could easily be applied to any thermodynamic data by changing the endpoint requirements. The volumetric behavior of the systems must be given or predicted in order to perform thermodynamic consistency tests. A general procedure is developed for predicting the volumetric behavior required and some indication as to the expected limit of accuracy is given.

  20. Perform Thermodynamics Measurements on Fuel Cycle Case Study Systems

    SciTech Connect

    Martin, Leigh R.

    2014-09-01

    This document was prepared to meet FCR&D level 3 milestone M3FT-14IN0304022, “Perform Thermodynamics Measurements on Fuel Cycle Case Study Systems.” This work was carried out under the auspices of the Thermodynamics and Kinetics FCR&D work package. This document reports preliminary work in support of determining the thermodynamic parameters for the ALSEP process. The ALSEP process is a mixed extractant system comprised of a cation exchanger 2-ethylhexyl-phosphonic acid mono-2-ethylhexyl ester (HEH[EHP]) and a neutral solvating extractant N,N,N’,N’-tetraoctyldiglycolamide (TODGA). The extractant combination produces complex organic phase chemistry that is challenging for traditional measurement techniques. To neutralize the complexity, temperature dependent solvent extraction experiments were conducted with neat TODGA and scaled down concentrations of the ALSEP formulation to determine the enthalpies of extraction for the two conditions. A full set of thermodynamic data for Eu, Am, and Cm extraction by TODGA from 3.0 M HNO3 is reported. These data are compared to previous extraction results from a 1.0 M HNO3 aqueous medium, and a short discussion of the mixed HEH[EHP]/TODGA system results is offered.

  1. Correlation between thermodynamic efficiency and ecological cyclicity for thermodynamic power cycles.

    PubMed

    Layton, Astrid; Reap, John; Bras, Bert; Weissburg, Marc

    2012-01-01

    A sustainable global community requires the successful integration of environment and engineering. In the public and private sectors, designing cyclical ("closed loop") resource networks increasingly appears as a strategy employed to improve resource efficiency and reduce environmental impacts. Patterning industrial networks on ecological ones has been shown to provide significant improvements at multiple levels. Here, we apply the biological metric cyclicity to 28 familiar thermodynamic power cycles of increasing complexity. These cycles, composed of turbines and the like, are scientifically very different from natural ecosystems. Despite this difference, the application results in a positive correlation between the maximum thermal efficiency and the cyclic structure of the cycles. The immediate impact of these findings results in a simple method for comparing cycles to one another, higher cyclicity values pointing to those cycles which have the potential for a higher maximum thermal efficiency. Such a strong correlation has the promise of impacting both natural ecology and engineering thermodynamics and provides a clear motivation to look for more fundamental scientific connections between natural and engineered systems.

  2. Correlation between Thermodynamic Efficiency and Ecological Cyclicity for Thermodynamic Power Cycles

    PubMed Central

    Layton, Astrid; Reap, John; Bras, Bert; Weissburg, Marc

    2012-01-01

    A sustainable global community requires the successful integration of environment and engineering. In the public and private sectors, designing cyclical (“closed loop”) resource networks increasingly appears as a strategy employed to improve resource efficiency and reduce environmental impacts. Patterning industrial networks on ecological ones has been shown to provide significant improvements at multiple levels. Here, we apply the biological metric cyclicity to 28 familiar thermodynamic power cycles of increasing complexity. These cycles, composed of turbines and the like, are scientifically very different from natural ecosystems. Despite this difference, the application results in a positive correlation between the maximum thermal efficiency and the cyclic structure of the cycles. The immediate impact of these findings results in a simple method for comparing cycles to one another, higher cyclicity values pointing to those cycles which have the potential for a higher maximum thermal efficiency. Such a strong correlation has the promise of impacting both natural ecology and engineering thermodynamics and provides a clear motivation to look for more fundamental scientific connections between natural and engineered systems. PMID:23251638

  3. Biological catalysis of the hydrological cycle: life's thermodynamic function

    NASA Astrophysics Data System (ADS)

    Michaelian, K.

    2011-01-01

    Darwinian theory depicts life as being overwhelmingly consumed by a fight for survival in a hostile environment. However, from a thermodynamic perspective, life is a dynamic out of equilibrium process, stabilizing and coevolving in concert with its abiotic environment. The living component of the biosphere on the surface of the Earth of greatest biomass, the plants and cyanobacteria, are involved in the transpiration of a vast amount of water. Transpiration is part of the global water cycle, and it is this cycle that distinguishes Earth from its apparently life barren neighboring planets, Venus and Mars. The dissipation of sunlight into heat by organic molecules in the biosphere and its coupling to the water cycle (as well as other abiotic processes), is by far the greatest entropy producing process occurring on Earth. Life, from this perspective, can be viewed as performing an important thermodynamic function; acting as a dynamic catalyst by aiding irreversible abiotic process such as the water cycle, hurricanes, and ocean and wind currents to produce entropy. The role of animals in this view is that of unwitting but dedicated servants of the plants and cyanobacteria, helping them to grow and to spread into initially inhospitable areas.

  4. Thermodynamic scaling of the shear viscosity of Mie n-6 fluids and their binary mixtures.

    PubMed

    Delage-Santacreu, Stephanie; Galliero, Guillaume; Hoang, Hai; Bazile, Jean-Patrick; Boned, Christian; Fernandez, Josefa

    2015-05-07

    In this work, we have evaluated the applicability of the so-called thermodynamic scaling and the isomorph frame to describe the shear viscosity of Mie n-6 fluids of varying repulsive exponents (n = 8, 12, 18, 24, and 36). Furthermore, the effectiveness of the thermodynamic scaling to deal with binary mixtures of Mie n-6 fluids has been explored as well. To generate the viscosity database of these fluids, extensive non-equilibrium molecular dynamics simulations have been performed for various thermodynamic conditions. Then, a systematic approach has been used to determine the gamma exponent value (γ) characteristic of the thermodynamic scaling approach for each system. In addition, the applicability of the isomorph theory with a density dependent gamma has been confirmed in pure fluids. In both pure fluids and mixtures, it has been found that the thermodynamic scaling with a constant gamma is sufficient to correlate the viscosity data on a large range of thermodynamic conditions covering liquid and supercritical states as long as the density is not too high. Interestingly, it has been obtained that, in pure fluids, the value of γ is directly proportional to the repulsive exponent of the Mie potential. Finally, it has been found that the value of γ in mixtures can be deduced from those of the pure component using a simple logarithmic mixing rule.

  5. Thermodynamic scaling of the shear viscosity of Mie n-6 fluids and their binary mixtures

    SciTech Connect

    Delage-Santacreu, Stephanie; Galliero, Guillaume Hoang, Hai; Bazile, Jean-Patrick; Boned, Christian; Fernandez, Josefa

    2015-05-07

    In this work, we have evaluated the applicability of the so-called thermodynamic scaling and the isomorph frame to describe the shear viscosity of Mie n-6 fluids of varying repulsive exponents (n = 8, 12, 18, 24, and 36). Furthermore, the effectiveness of the thermodynamic scaling to deal with binary mixtures of Mie n-6 fluids has been explored as well. To generate the viscosity database of these fluids, extensive non-equilibrium molecular dynamics simulations have been performed for various thermodynamic conditions. Then, a systematic approach has been used to determine the gamma exponent value (γ) characteristic of the thermodynamic scaling approach for each system. In addition, the applicability of the isomorph theory with a density dependent gamma has been confirmed in pure fluids. In both pure fluids and mixtures, it has been found that the thermodynamic scaling with a constant gamma is sufficient to correlate the viscosity data on a large range of thermodynamic conditions covering liquid and supercritical states as long as the density is not too high. Interestingly, it has been obtained that, in pure fluids, the value of γ is directly proportional to the repulsive exponent of the Mie potential. Finally, it has been found that the value of γ in mixtures can be deduced from those of the pure component using a simple logarithmic mixing rule.

  6. Thermodynamic coarsening arrested by viscous fingering in partially miscible binary mixtures

    NASA Astrophysics Data System (ADS)

    Fu, Xiaojing; Cueto-Felgueroso, Luis; Juanes, Ruben

    2016-09-01

    We study the evolution of binary mixtures far from equilibrium, and show that the interplay between phase separation and hydrodynamic instability can arrest the Ostwald ripening process characteristic of nonflowing mixtures. We describe a model binary system in a Hele-Shaw cell using a phase-field approach with explicit dependence of both phase fraction and mass concentration. When the viscosity contrast between phases is large (as is the case for gas and liquid phases), an imposed background flow leads to viscous fingering, phase branching, and pinch off. This dynamic flow disorder limits phase growth and arrests thermodynamic coarsening. As a result, the system reaches a regime of statistical steady state in which the binary mixture is permanently driven away from equilibrium.

  7. Thermodynamic modelling of the C-U and B-U binary systems

    NASA Astrophysics Data System (ADS)

    Chevalier, P. Y.; Fischer, E.

    2001-02-01

    The thermodynamic modelling of the carbon-uranium (C-U) and boron-uranium (B-U) binary systems is being performed in the framework of the development of a thermodynamic database for nuclear materials, for increasing the basic knowledge of key phenomena which may occur in the event of a severe accident in a nuclear power plant. Applications are foreseen in the nuclear safety field to the physico-chemical interaction modelling, on the one hand the in-vessel core degradation producing the corium (fuel, zircaloy, steel, control rods) and on the other hand the ex-vessel molten corium-concrete interaction (MCCI). The key O-U-Zr ternary system, previously modelled, allows us to describe the first interaction of the fuel with zircaloy cladding. Then, the three binary systems Fe-U, Cr-U and Ni-U were modelled as a preliminary work for modelling the O-U-Zr-Fe-Cr-Ni multicomponent system, allowing us to introduce the steel components in the corium. In the existing database (TDBCR, thermodynamic data base for corium), Ag and In were introduced for modelling AIC (silver-indium-cadmium) control rods which are used in French pressurized water reactors (PWR). Elsewhere, B 4C is also used for control rods. That is why it was agreed to extend in the next years the database with two new components, B and C. Such a work needs the thermodynamic modelling of all the binary and pseudo-binary sub-systems resulting from the combination of B, B 2O 3 and C with the major components of TDBCR, O-U-Zr-Fe-Cr-Ni-Ag-In-Ba-La-Ru-Sr-Al-Ca-Mg-Si + Ar-H. The critical assessment of the very numerous experimental information available for the C-U and B-U binary systems was performed by using a classical optimization procedure and the Scientific Group Thermodata Europe (SGTE). New optimized Gibbs energy parameters are given, and comparisons between calculated and experimental equilibrium phase diagrams or thermodynamic properties are presented. The self-consistency obtained is quite satisfactory.

  8. Thermodynamic Cycle Analysis of Magnetohydrodynamic-Bypass Hypersonic Airbreathing Engines

    NASA Technical Reports Server (NTRS)

    Litchford, R. J.; Cole, J. W.; Bityurin, V. A.; Lineberry, J. T.

    2000-01-01

    The prospects for realizing a magnetohydrodynamic (MHD) bypass hypersonic airbreathing engine are examined from the standpoint of fundamental thermodynamic feasibility. The MHD-bypass engine, first proposed as part of the Russian AJAX vehicle concept, is based on the idea of redistributing energy between various stages of the propulsion system flow train. The system uses an MHD generator to extract a portion of the aerodynamic heating energy from the inlet and an MHD accelerator to reintroduce this power as kinetic energy in the exhaust stream. In this way, the combustor entrance Mach number can be limited to a specified value even as the flight Mach number increases. Thus, the fuel and air can be efficiently mixed and burned within a practical combustor length, and the flight Mach number operating envelope can be extended. In this paper, we quantitatively assess the performance potential and scientific feasibility of MHD-bypass engines using a simplified thermodynamic analysis. This cycle analysis, based on a thermally and calorically perfect gas, incorporates a coupled MHD generator-accelerator system and accounts for aerodynamic losses and thermodynamic process efficiencies in the various engin components. It is found that the flight Mach number range can be significantly extended; however, overall performance is hampered by non-isentropic losses in the MHD devices.

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

    NASA Astrophysics Data System (ADS)

    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.

  10. Internal dissipation and heat leaks in quantum thermodynamic cycles.

    PubMed

    Correa, Luis A; Palao, José P; Alonso, Daniel

    2015-09-01

    The direction of the steady-state heat currents across a generic quantum system connected to multiple baths may be engineered to realize virtually any thermodynamic cycle. In spite of their versatility, such continuous energy-conversion systems are generally unable to operate at maximum efficiency due to non-negligible sources of irreversible entropy production. In this paper we introduce a minimal model of irreversible absorption chiller. We identify and characterize the different mechanisms responsible for its irreversibility, namely heat leaks and internal dissipation, and gauge their relative impact in the overall cooling performance. We also propose reservoir engineering techniques to minimize these detrimental effects. Finally, by looking into a known three-qubit embodiment of the absorption cooling cycle, we illustrate how our simple model may help to pinpoint the different sources of irreversibility naturally arising in more complex practical heat devices.

  11. Internal dissipation and heat leaks in quantum thermodynamic cycles

    NASA Astrophysics Data System (ADS)

    Correa, Luis A.; Palao, José P.; Alonso, Daniel

    2015-09-01

    The direction of the steady-state heat currents across a generic quantum system connected to multiple baths may be engineered to realize virtually any thermodynamic cycle. In spite of their versatility, such continuous energy-conversion systems are generally unable to operate at maximum efficiency due to non-negligible sources of irreversible entropy production. In this paper we introduce a minimal model of irreversible absorption chiller. We identify and characterize the different mechanisms responsible for its irreversibility, namely heat leaks and internal dissipation, and gauge their relative impact in the overall cooling performance. We also propose reservoir engineering techniques to minimize these detrimental effects. Finally, by looking into a known three-qubit embodiment of the absorption cooling cycle, we illustrate how our simple model may help to pinpoint the different sources of irreversibility naturally arising in more complex practical heat devices.

  12. Thermodynamics of natural selection II: Chemical Carnot cycles.

    PubMed

    Smith, Eric

    2008-05-21

    This is the second in a series of three papers devoted to energy flow and entropy changes in chemical and biological processes, and to their relations to the thermodynamics of computation. In the first paper of the series, it was shown that a general-form dimensional argument from the second law of thermodynamics captures a number of scaling relations governing growth and development across many domains of life. It was also argued that models of physiology based on reversible transformations provide sensible approximations within which the second-law scaling is realized. This paper provides a formal basis for decomposing general cyclic, fixed-temperature chemical reactions, in terms of the chemical equivalent of Carnot's cycle for heat engines. It is shown that the second law relates the minimal chemical work required to perform a cycle to the Kullback-Leibler divergence produced in its chemical output ensemble from that of a Gibbs equilibrium. Reversible models of physiology are used to create reversible models of natural selection, which relate metabolic energy requirements to information gain under optimal conditions. When dissipation is added to models of selection, the second-law constraint is generalized to a relation between metabolic work and the combined energies of growth and maintenance.

  13. Loss analysis of the thermodynamic cycle of magnetic heat pumps

    NASA Astrophysics Data System (ADS)

    Chen, F. C.; Murphy, R. W.; Mei, V. C.; Chen, G. L.; Lue, J. W.; Lubell, M. S.

    1991-02-01

    The needs for developing non-ozone-depleting, no-greenhouse-effect heat pump systems and for exploring the potential of new high-temperature superconducting materials have prompted a renewed interest in the study of magnetic heat pumps. The new materials can provide the high magnetic field that an effective superconducting magnetic heat pump requires, and magnetic heat pumps do not use freon for a working fluid. Traditionally, magnetic heat pump concepts have been successfully developed and used for refrigeration applications at temperatures near absolute zero degree. In these cases, a temperature lift of a few degrees in a cryogenic environment is sufficient and can be easily achieved by a simple magnetic heat pump cycle. The working media are usually the chemical compounds of gadolinium. To extend magnetic heat pumping to other temperature ranges and other types of applications in which the temperature lift is more than just a few degrees requires more involved cycle processes dependent upon the thermomagnetic properties of the working media and the availability of a high magnetic field. This report documents our efforts to study the thermophysics of magnetic heat pumps, including a survey of literature, a study of thermodynamic cycles and cycle thermal losses, and an analysis of pulse magnets. The regenerative cycle has been identified as the most efficient, with a maximum of 42 percent loss in coefficient of performance at 260 K cooling temperature and a maximum of 15 percent loss in capacity at 232 K cooling temperature for the constant field (magnetic Ericsson) cycle, between 200 and 320 K, as compared with the ideal regenerative cycle with gadolinium as the core material.

  14. Estimation of thermodynamic properties of Cu-La binary alloy with modified Miedema's theory

    NASA Astrophysics Data System (ADS)

    Li, Hai-hong; Zhang, Shi-hong; Chen, Yan; Cheng, Ming; Song, Hong-wu; Liu, Jin-song

    2016-01-01

    According to modified Miedema's theory, mixing enthalpies (Δ H), excess entropies ( S E), excess Gibbs free energy ( G E), and component activities ( a) of Cu-La binary alloy were estimated using the basic thermodynamic principles and some simple physical parameters of Cu and La, such as electronegativity, atomic volume and electron density. Based on the Cu-La binary alloy phase diagram, the Gibbs free energy of the phase precipitation reactions of Cu6La and Cu5La was deduced. The results showed that the values of Δ H, S E, and G E of Cu-La binary alloy were all negative. Compared to the ideal solution, the activities of the components presented a large negative deviation from Raoult's law, which indicated that there was a strong interaction between Cu and La. The calculated data are well consistent with the experimental data. The Gibbs free energies of the phase precipitation reactions of Cu6La are lower than those for Cu5La, which means that Cu6La is thermodynamically more stable than Cu5La. Furthermore, the experimental results show that rareearth rich Cu6La phase particles in copper matrix are formed after La microalloying.

  15. A thermodynamic review of cryogenic refrigeration cycles for liquefaction of natural gas

    NASA Astrophysics Data System (ADS)

    Chang, Ho-Myung

    2015-12-01

    A thermodynamic review is presented on cryogenic refrigeration cycles for the liquefaction process of natural gas. The main purpose of this review is to examine the thermodynamic structure of various cycles and provide a theoretical basis for selecting a cycle in accordance with different needs and design criteria. Based on existing or proposed liquefaction processes, sixteen ideal cycles are selected and the optimal conditions to achieve their best thermodynamic performance are investigated. The selected cycles include standard and modified versions of Joule-Thomson (JT) cycle, Brayton cycle, and their combined cycle with pure refrigerants (PR) or mixed refrigerants (MR). Full details of the cycles are presented and discussed in terms of FOM (figure of merit) and thermodynamic irreversibility. In addition, a new method of nomenclature is proposed to clearly identify the structure of cycles by abbreviation.

  16. Study of thermodynamic properties of liquid binary alloys by a pseudopotential method

    NASA Astrophysics Data System (ADS)

    Vora, Aditya M.

    2010-11-01

    On the basis of the Percus-Yevick hard-sphere model as a reference system and the Gibbs-Bogoliubov inequality, a thermodynamic perturbation method is applied with the use of the well-known model potential. By applying a variational method, the hard-core diameters are found which correspond to a minimum free energy. With this procedure, the thermodynamic properties such as the internal energy, entropy, Helmholtz free energy, entropy of mixing, and heat of mixing are computed for liquid NaK binary systems. The influence of the local-field correction functions of Hartree, Taylor, Ichimaru-Utsumi, Farid-Heine-Engel-Robertson, and Sarkar-Sen-Haldar-Roy is also investigated. The computed excess entropy is in agreement with available experimental data in the case of liquid alloys, whereas the agreement for the heat of mixing is poor. This may be due to the sensitivity of the latter to the potential parameters and dielectric function.

  17. Thermodynamic aspects of phase equilibrium in binary water-organic solvent mixtures

    NASA Astrophysics Data System (ADS)

    Mizerovskii, L. N.

    2017-02-01

    It is shown that the boundary curves of liquid equilibria in binary systems characterize the temperature-concentration boundary of the existence of homogeneous mixtures whose formation is not accompanied by changes in the Gibbs energy of the system and are a combination of two branches that do not convert into each other but intersect at the temperature of homogenization of a mixture of critical composition. The phase diagrams of a number of water-organic solvent systems are analyzed to determine the thermodynamic particularities of the latter.

  18. The Thermodynamics of Marine Biogeochemical Cycles: Lotka Revisited

    NASA Astrophysics Data System (ADS)

    Vallino, Joseph J.; Algar, Christopher K.

    2016-01-01

    Nearly 100 years ago, Alfred Lotka published two short but insightful papers describing how ecosystems may organize. Principally, Lotka argued that ecosystems will grow in size and that their cycles will spin faster via predation and nutrient recycling so as to capture all available energy, and that evolution and natural selection are the mechanisms by which this occurs and progresses. Lotka's ideas have often been associated with the maximum power principle, but they are more consistent with recent developments in nonequilibrium thermodynamics, which assert that complex systems will organize toward maximum entropy production (MEP). In this review, we explore Lotka's hypothesis within the context of the MEP principle, as well as how this principle can be used to improve marine biogeochemistry models. We need to develop the equivalent of a climate model, as opposed to a weather model, to understand marine biogeochemistry on longer timescales, and adoption of the MEP principle can help create such models.

  19. Analysis of Binary Cycle Efficiency Using Redlich-Kwong Equation of State

    NASA Astrophysics Data System (ADS)

    Saunderson, Deborah; Budiman, Arief

    2011-03-01

    Coal, natural gas and nuclear power plants operate using various forms of Rankine cycle. We present an efficiency maximization strategy of binary cycle, which has two Rankine cycles in tandem, using Redlich-Kwong equation of state for wide ranging working fluids: alkali metals, mercury, water, and ammonia. Binary cycle efficiency can approach the Carnot efficiency at a cost. The mercury/ammonia working fluid combination yields the highest efficiency for typical binary cycle conditions. We discuss practical implications given that mercury and ammonia create safety concerns, especially on finding other fluids having similar efficiency based on our simulations.

  20. THE ROLE OF KOZAI CYCLES IN NEAR-EARTH BINARY ASTEROIDS

    SciTech Connect

    Fang, Julia; Margot, Jean-Luc

    2012-03-15

    We investigate the Kozai mechanism in the context of near-Earth binaries and the Sun. The Kozai effect can lead to changes in eccentricity and inclination of the binary orbit, but it can be weakened or completely suppressed by other sources of pericenter precession, such as the oblateness of the primary body. Through numerical integrations including primary oblateness and three bodies (the two binary components and the Sun), we show that Kozai cycles cannot occur for the closely separated near-Earth binaries in our sample. We demonstrate that this is due to pericenter precession around the oblate primary, even for very small oblateness values. Since the majority of observed near-Earth binaries are not well separated, we predict that Kozai cycles do not play an important role in the orbital evolution of most near-Earth binaries. For a hypothetical wide binary modeled after 1998 ST27, the separation is large at 16 primary radii and so the orbital effects of primary oblateness are lessened. For this wide binary, we illustrate the possible excursions in eccentricity and inclination due to Kozai cycles as well as depict stable orientations for the binary's orbital plane. Unstable orientations lead to collisions between binary components, and we suggest that the Kozai effect acting in wide binaries may be a route to the formation of near-Earth contact binaries.

  1. Experimental determination and thermodynamic modeling of the Ni-Re binary system

    SciTech Connect

    Yaqoob, Khurram; Joubert, Jean-Marc

    2012-12-15

    The phase diagram of the Ni-Re binary system has been partially reinvestigated by chemical, structural and thermal characterization of the arc melted alloys. The experimental results obtained during the present investigation were combined with the literature data and a new phase diagram of the Ni-Re binary system is proposed. In comparison with the Ni-Re phase diagram proposed by Nash et al. in 1985 [1], significant differences in the homogeneity domains, freezing ranges and peritectic reaction temperature were evidenced. On the other hand, thermodynamic modeling of the studied system by using the new experimental information has also been carried out with the help of the CALPHAD method. The calculated Ni-Re phase diagram showed a good agreement with the selected experimental information. - Graphical abstract: Ni-Re phase diagram according to the present study. Highlights: Black-Right-Pointing-Pointer Re-investigation of the Ni-Re phase diagram. Black-Right-Pointing-Pointer Extended phase field of the hcp phase. Black-Right-Pointing-Pointer Different freezing ranges and peritectic reaction temperature. Black-Right-Pointing-Pointer Thermodynamic modeling of the studied system by using the CALPHAD method.

  2. Benzoic Acid and Chlorobenzoic Acids: Thermodynamic Study of the Pure Compounds and Binary Mixtures With Water.

    PubMed

    Reschke, Thomas; Zherikova, Kseniya V; Verevkin, Sergey P; Held, Christoph

    2016-03-01

    Benzoic acid is a model compound for drug substances in pharmaceutical research. Process design requires information about thermodynamic phase behavior of benzoic acid and its mixtures with water and organic solvents. This work addresses phase equilibria that determine stability and solubility. In this work, Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) was used to model the phase behavior of aqueous and organic solutions containing benzoic acid and chlorobenzoic acids. Absolute vapor pressures of benzoic acid and 2-, 3-, and 4-chlorobenzoic acid from literature and from our own measurements were used to determine pure-component PC-SAFT parameters. Two binary interaction parameters between water and/or benzoic acid were used to model vapor-liquid and liquid-liquid equilibria of water and/or benzoic acid between 280 and 413 K. The PC-SAFT parameters and 1 binary interaction parameter were used to model aqueous solubility of the chlorobenzoic acids. Additionally, solubility of benzoic acid in organic solvents was predicted without using binary parameters. All results showed that pure-component parameters for benzoic acid and for the chlorobenzoic acids allowed for satisfying modeling phase equilibria. The modeling approach established in this work is a further step to screen solubility and to predict the whole phase region of mixtures containing pharmaceuticals. Copyright © 2016 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  3. Thermodynamic analysis of organic Rankine cycle using dry working fluids

    SciTech Connect

    Wang, S.K.; Hung, T.C.

    1998-12-31

    Utilization of waste heat is not economically incentive to the industry once the temperature of the waste heat drops to a certain level. This is primarily due to a low efficiency when converting the energy of the waste heat to some forms of useful power. A Rankine cycle using organic fluids as working fluids, called organic Rankine cycle (ORC), is potentially feasible in recovering low-enthalpy containing heat sources. Nevertheless, an efficient operation of the ORC depends heavily on two factors: working conditions of the cycle and the thermodynamic properties of the working fluids. The main objective of this study is to investigate the effects of these two factors on the performance of the ORC. The working fluids under investigation are: benzene (C{sub 6}H), toluene (C{sub 7}H{sub 8}), p-xylene (C{sub 8}H{sub 10}), R113 and R123. Irreversibility of a system using various working fluids was studied since it represents the energy balance in recovering the waste heat. The study shows that the system efficiency increases as the inlet pressure of the turbine increases regardless of the working fluid used. Among the working fluids under investigation, p-xylene shows the highest efficiency while benzene the lowest. The study also shows that irreversibility depends on the type of heat source. Generally speaking, p-xylene has the lowest irreversibility in recovering a high temperature waste heat while R113 and R123 have a better performance in recovering a low temperature waste heat. In addition, an economic feasibility of ORC using various working fluids is given for ORC`s with commercial capacities.

  4. Effects of thermodynamic profiles on the interaction of binary tropical cyclones

    NASA Astrophysics Data System (ADS)

    Jang, Wook; Chun, Hye-Yeong

    2015-09-01

    The interactions between idealized binary tropical cyclones (TCs) on f and β planes with different separation distance and thermodynamic soundings obtained from the National Centers for Environmental Prediction/National Center for Atmospheric Research reanalysis data averaged over the western North Pacific are investigated through ensemble three-dimensional numerical simulations with a horizontal resolution of 10 km in a single domain. In the simulations on the f plane, two TCs show mutual cyclonic rotations with symmetric structures. Two TCs with thermodynamic profiles of larger convective available potential energy (CAPE) and maximum potential intensity (MPI) show greater interaction than those with a smaller CAPE and MPI due to the stronger tangential velocity near the TC center. In the simulations on the β plane, the two TCs do not merge, because the beta effect prevents the attraction of the two TCs by generating asymmetric motions of the TC with northwestward forcing. The relative strengths of the two TCs change with time and depend on the low-level inflow influenced by the Coriolis parameter. Similar to the results on the f plane, the two TCs only merge with the thermodynamic soundings of large CAPE and MPI.

  5. Thermodynamic Cycle Analysis of Magnetohydrodynamic-Bypass Airbreathing Hypersonic Engines

    NASA Technical Reports Server (NTRS)

    Litchford, Ron J.; Bityurin, Valentine A.; Lineberry, John T.

    1999-01-01

    Established analyses of conventional ramjet/scramjet performance characteristics indicate that a considerable decrease in efficiency can be expected at off-design flight conditions. This can be explained, in large part, by the deterioration of intake mass flow and limited inlet compression at low flight speeds and by the onset of thrust degradation effects associated with increased burner entry temperature at high flight speeds. In combination, these effects tend to impose lower and upper Mach number limits for practical flight. It has been noted, however, that Magnetohydrodynamic (MHD) energy management techniques represent a possible means for extending the flight Mach number envelope of conventional engines. By transferring enthalpy between different stages of the engine cycle, it appears that the onset of thrust degradation may be delayed to higher flight speeds. Obviously, the introduction of additional process inefficiencies is inevitable with this approach, but it is believed that these losses are more than compensated through optimization of the combustion process. The fundamental idea is to use MHD energy conversion processes to extract and bypass a portion of the intake kinetic energy around the burner. We refer to this general class of propulsion system as an MHD-bypass engine. In this paper, we quantitatively assess the performance potential and scientific feasibility of MHD-bypass airbreathing hypersonic engines using ideal gasdynamics and fundamental thermodynamic principles.

  6. Combined cycle power unit with a binary system based on waste geothermal brine at Mutnovsk geothermal power plant

    NASA Astrophysics Data System (ADS)

    Tomarov, G. V.; Shipkov, A. A.; Nikol'skii, A. I.; Semenov, V. N.

    2016-06-01

    The Russian geothermal power systems developed in the last few decades outperform their counterparts around the world in many respects. However, all Russian geothermal power stations employ steam as the geothermal fluid and discard the accompanying geothermal brine. In reality, the power of the existing Russian geothermal power stations may be increased without drilling more wells, if the waste brine is employed in combined cycle systems with steam and binary turbine units. For the example of the 50 MW Mutnovsk geothermal power plant, the optimal combined cycle power unit based on the waste geothermal brine is considered. It is of great interest to determine how the thermodynamic parameters of the secondary steam in the expansion unit and the pressure in the condenser affect the performance of the equipment in the combined cycle power unit at Mutnovsk geothermal power plant. For the utilization of the waste geothermal brine at Mutnovsk geothermal power plant, the optimal air temperature in the condensers of the combined cycle power unit is +5°C. The use of secondary steam obtained by flashing of the geothermal brine at Mutnovsk geothermal power plant 1 at a pressure of 0.2 MPa permits the generation of up to 8 MW of electric power in steam turbines and additional power of 5 MW in the turbines of the binary cycle.

  7. Thermodynamics and kinetics of binary nucleation in ideal-gas mixtures.

    PubMed

    Alekseechkin, Nikolay V

    2015-08-07

    The nonisothermal single-component theory of droplet nucleation [N. V. Alekseechkin, Physica A 412, 186 (2014)] is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic kinetics (in contrast to the standard microscopic model of nucleation operating with the probabilities of monomer attachment and detachment) is developed for the droplet evolution and results in the derived droplet motion equations in the space (V, x, T)—equations for V̇≡dV/dt, ẋ, and Ṫ. The work W(V, x, T) of the droplet formation is obtained in the vicinity of the saddle point as a quadratic form with diagonal matrix. Also, the problem of generalizing the single-component Kelvin equation for the equilibrium vapor pressure to binary case is solved; it is presented here as a problem of integrability of a Pfaffian equation. The equation for Ṫ is shown to be the first law of thermodynamics for the droplet, which is a consequence of Onsager's reciprocal relations and the linked-fluxes concept. As an example of ideal solution for demonstrative numerical calculations, the o-xylene-m-xylene system is employed. Both nonisothermal and enrichment effects are shown to exist; the mean steady-state overheat of droplets and their mean steady-state enrichment are calculated with the help of the 3D distribution function. Some qualitative peculiarities of the nucleation thermodynamics and kinetics in the water-sulfuric acid system are considered in the model of regular solution. It is shown that there is a small kinetic parameter in the theory due to the small amount of the acid in the vapor and, as a consequence, the nucleation process is isothermal.

  8. Effects of Alloying on Nanoscale Grain Growth in Substitutional Binary Alloy System: Thermodynamics and Kinetics

    NASA Astrophysics Data System (ADS)

    Peng, Haoran; Chen, Yuzeng; Liu, Feng

    2015-11-01

    Applying the regular solution model, the Gibbs free energy of mixing for substitutional binary alloy system was constructed. Then, thermodynamic and kinetic parameters, e.g., driving force and solute drag force, controlling nanoscale grain growth of substitutional binary alloy systems were derived and compared to their generally accepted definitions and interpretations. It is suggested that for an actual grain growth process, the classical driving force P = γ/D ( γ the grain boundary (GB) energy, D the grain size) should be replaced by a new expression, i.e., P^' = γ /D - Δ P . Δ P represents the energy required to adjust nonequilibrium solute distribution to equilibrium solute distribution, which is equivalent to the generally accepted solute drag force impeding GB migration. By incorporating the derived new driving force for grain growth into the classical grain growth model, the reported grain growth behaviors of nanocrystalline Fe-4at. pct Zr and Pd-19at. pct Zr alloys were analyzed. On this basis, the effect of thermodynamic and kinetic parameters ( i.e., P, Δ P and the GB mobility ( M GB)) on nanoscale grain growth, were investigated. Upon grain growth, the decrease of P is caused by the reduction of γ as a result of solute segregation in GBs; the decrease of Δ P is, however, due to the decrease of grain growth velocity; whereas the decrease of M GB is attributed to the enhanced difference of solute molar fractions between the bulk and the GBs as well as the increased activation energy for GB diffusion.

  9. Thermodynamics and kinetics of binary nucleation in ideal-gas mixtures

    NASA Astrophysics Data System (ADS)

    Alekseechkin, Nikolay V.

    2015-08-01

    The nonisothermal single-component theory of droplet nucleation [N. V. Alekseechkin, Physica A 412, 186 (2014)] is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic kinetics (in contrast to the standard microscopic model of nucleation operating with the probabilities of monomer attachment and detachment) is developed for the droplet evolution and results in the derived droplet motion equations in the space (V, x, T)—equations for V ˙ ≡ d V / d t , x ˙ , and T ˙ . The work W(V, x, T) of the droplet formation is obtained in the vicinity of the saddle point as a quadratic form with diagonal matrix. Also, the problem of generalizing the single-component Kelvin equation for the equilibrium vapor pressure to binary case is solved; it is presented here as a problem of integrability of a Pfaffian equation. The equation for T ˙ is shown to be the first law of thermodynamics for the droplet, which is a consequence of Onsager's reciprocal relations and the linked-fluxes concept. As an example of ideal solution for demonstrative numerical calculations, the o-xylene-m-xylene system is employed. Both nonisothermal and enrichment effects are shown to exist; the mean steady-state overheat of droplets and their mean steady-state enrichment are calculated with the help of the 3D distribution function. Some qualitative peculiarities of the nucleation thermodynamics and kinetics in the water-sulfuric acid system are considered in the model of regular solution. It is shown that there is a small kinetic parameter in the theory due to the small amount of the acid in the vapor and, as a consequence, the nucleation process is isothermal.

  10. a Molecular Approach to Electrolyte Solutions: Predicting Phase Behavior and Thermodynamic Properties of Single and Binary-Solvent Systems

    NASA Astrophysics Data System (ADS)

    Gering, Kevin Leslie

    A molecular formulation based on modern liquid state theory is applied to the properties and phase behavior of electrolyte systems containing volatile species. An electrolyte model based on the exponential modification of the Mean Spherical Approximation (EXP-MSA) is used to describe the cation-cation, cation-anion, and anion-anion distributions of the ionic species. This theory represents an improvement over the nonmodified MSA approach, and goes beyond the usual Debye-Huckel theory and Pitzer correlation for treating concentrated solutions. Electrolyte solutions such as water-salt, ammonia-salt, mixed salts, and mixed -solvent systems are investigated over a wide range of temperatures, pressures, and compositions. The usual salt properties, such as osmotic and mean activity coefficients and other thermodynamic properties (enthalpies), are calculated. The predictions are accurate to saturation limits. In addition, an iterative method is presented that is used to predict vapor-liquid equilibria (VLE) and thermodynamic properties of single-salt multisolvent electrolytes of the form solvent-cosolvent-salt. In this method, a local composition model (LCM) and EXP-MSA theory are combined with traditional phase equilibria relations to estimate the pressures and compositions of a vapor phase in equilibrium with a binary-solvent electrolyte. Also, a pseudo-solvent model is proposed as a means of obtaining a variety of averaged liquid phase electrolyte properties. To predict preferential solvation in mixed solvents, a general framework is developed that is based on predicted solvation numbers of each solvent. Preferential solvation will be shown to influence VLE. Results show that phase equilibria is accurately predicted by the above iterative method. Three mixed-solvent electrolyte systems are investigated: water -ethylene glycol-LiBr, ammonia-water-LiBr, and methanol -water-LiCl. Finally, the above electrolyte model is utilized in predicting design criteria for a single

  11. Study of thermodynamic and acoustic behaviour of nicotinic acid in binary aqueous mixtures of D-lactose

    NASA Astrophysics Data System (ADS)

    Sharma, Ravi; Thakur, R. C.

    2017-07-01

    In the present study, the thermodynamic properties such as partial molar volumes, partial molar expansibilities, partial molar compressibilities, partial molar heat capacities and isobaric thermal expansion coefficient of different solutions of nicotinic acid in binary aqueous mixtures of D-lactose have been determined at different temperatures (298.15, 303.15, 308.15, 313.15) K. Masson's equation is used to interpret the data in terms of solute-solute and solute-solvent interactions. In the present study it has been found that nicotinic acid behaves as structure maker in aqueous and binary aqueous mixtures of D-lactose.

  12. Thermodynamic and Electronic Properties of Liquid Binary Alloys of Simple Metals: Charge-Transfer Effects.

    NASA Astrophysics Data System (ADS)

    Lai, San-Kiong

    It is demonstrated that low order pseudopotential perturbation theory is inadequate to determine the equilibrium atomic volumes even for simple liquid metals and their alloys in variational thermodynamic calculations. A high order perturbative correction is suggested and has subsequently been applied in the spirit of the model pseudopotential theory. A theoretical method is proposed to determine a model potential parameter (denoted by (mu)) using the calculated unmodified ((mu) = 0) Helmholtz free energy. Results of the applications to the (i) excess entropy and (ii) isothermal compressibility indicate that the parameter (mu) is insignificant for the liquid alkali metals, Zn and Mg but becomes more important for such heavy elements as In. Based on this conclusion the calculations for the liquid alkali binary alloys are carried out by setting (mu) = 0. We apply our obtained hard sphere diameters to calculate the concentration dependences of (i) the isothermal compressibility, (ii) the excess entropy of mixing and (iii) the enthalpy and free energy of mixing within the framework of the hard sphere theory. Then, the anomalies of the thermodynamic mixing properties for these alloys, as experimentally reported, are interpreted by considering valence-electron charge transfer effects. The alloy formfactors have also been applied to study the electronic properties. Before embarking on the calculation, we first check the high-order effects on the electronic density of states. They are found to be unimportant for those liquid metals for which (mu)(, )<(, )0.1. Then, we set (mu) = 0 and study the concentration dependences of the (i) electron density of states, (ii) electrical resistivity and thermopower and (iii) temperature coefficient of the resistivity for the alkali, Li-Na and Li-Mg alloys. It also emerges from these applications that charge transfer effects, which give rise to the partial localisation of the valence electrons on the electronegative ions, are

  13. A thermodynamic study of waste heat recovery from GT-MHR using organic Rankine cycles

    NASA Astrophysics Data System (ADS)

    Yari, Mortaza; Mahmoudi, S. M. S.

    2011-02-01

    This paper presents an investigation on the utilization of waste heat from a gas turbine-modular helium reactor (GT-MHR) using different arrangements of organic Rankine cycles (ORCs) for power production. The considered organic Rankine cycles were: simple organic Rankine cycle (SORC), ORC with internal heat exchanger (HORC) and regenerative organic Rankine cycle (RORC). The performances of the combined cycles were studied from the point of view of first and second-laws of thermodynamics. Individual models were developed for each component and the effects of some important parameters such as compressor pressure ratio, turbine inlet temperature, and evaporator and environment temperatures on the efficiencies and on the exergy destruction rate were studied. Finally the combined cycles were optimized thermodynamically using the EES (Engineering Equation Solver) software. Based on the identical operating conditions for the GT-MHR cycle, a comparison between the three combined cycles and a simple GT-MHR cycle is also were made. This comparison was also carried out from the point of view of economics. The GT-MHR/SORC combined cycle proved to be the best among all the cycles from the point of view of both thermodynamics and economics. The efficiency of this cycle was about 10% higher than that of GT-MHR alone.

  14. Dixie Valley Binary Cycle Production Data 2013 YTD

    DOE Data Explorer

    Lee, Vitaly

    2013-10-18

    Proving the technical and economic feasibility of utilizing the available unused heat to generate additional electric power from a binary power plant from the low-temperature brine at the Dixie Valley Geothermal Power Plant. Monthly data for Jan 2013-September 2013

  15. Thermodynamic properties of alloys of the binary Sb-Yb system

    NASA Astrophysics Data System (ADS)

    Sudavtsova, V. S.; Shevchenko, M. A.; Ivanov, M. I.; Berezutskii, V. V.; Kudin, V. G.; Pastushenko, K. Yu.

    2017-07-01

    Mixing enthalpies of melts of the binary Sb-Yb system have been determined for the first time in the ranges 0 < x Yb < 0.155 at 960-1030 K and 0.89 < x Yb < 1 at 1140 K. It has been found that the melts form with great exothermic effects, and the partial enthalpies of the components at infinite dilution are: Δ \\bar H_{Sb}^∞ =-260, Δ \\bar H_{Sb}^∞ =-205 kJ/mol. An ideal associated solution model has been selected to describe the temperature and concentration dependences of thermodynamic properties of the melts, and the parameters of the model have been optimized through self-consistent analysis of the available data on the phase diagram. The model description allows to calculate the Gibbs energies and entropies of mixing of the melts, the activities of the components and the molar fractions of the associates, and the enthalpies and entropies of formation of the solid phases.

  16. Thermodynamic properties of a symmetrical binary mixture in the coexistence region.

    PubMed

    Das, Subir K; Binder, Kurt

    2011-12-01

    A three-dimensional symmetric binary fluid is studied, as a function of temperature, in the two-phase (liquid-liquid) coexistence region via Monte Carlo simulations. Particular focus has been in the understanding of curvature-dependent interfacial tension, which is observed to vary as σ(R) = σ(∞)/[1+2(ℓ/R)(2)], implying that a Tolman length is zero in the limit R → ∞. The length ℓ is found to have a critical divergence the same as the correlation length, but its amplitude is significantly larger (ℓ ~/= 4ξ). Our findings hence imply that the barrier against homogeneous nucleation is significantly reduced (in comparison with the classical nucleation theory) in the critical region. We also report results for the critical behavior of the flat interfacial tension σ(∞) and the concentration susceptibility, as well as the amplitude ratios involving these thermodynamic quantities. Noting that the interatomic potential in our model is described by the Lennard-Jones form that decays faster that 1/r(3), all of our results for critical phenomena are expectedly consistent with the Ising universality class of three spatial dimensions.

  17. Thermodynamic properties of a symmetrical binary mixture in the coexistence region

    NASA Astrophysics Data System (ADS)

    Das, Subir K.; Binder, Kurt

    2011-12-01

    A three-dimensional symmetric binary fluid is studied, as a function of temperature, in the two-phase (liquid-liquid) coexistence region via Monte Carlo simulations. Particular focus has been in the understanding of curvature-dependent interfacial tension, which is observed to vary as σ(R)=σ(∞)/[1+2((ℓ)/(R))2], implying that a Tolman length is zero in the limit R→∞. The length ℓ is found to have a critical divergence the same as the correlation length, but its amplitude is significantly larger (ℓ≃4ξ). Our findings hence imply that the barrier against homogeneous nucleation is significantly reduced (in comparison with the classical nucleation theory) in the critical region. We also report results for the critical behavior of the flat interfacial tension σ(∞) and the concentration susceptibility, as well as the amplitude ratios involving these thermodynamic quantities. Noting that the interatomic potential in our model is described by the Lennard-Jones form that decays faster that 1/r3, all of our results for critical phenomena are expectedly consistent with the Ising universality class of three spatial dimensions.

  18. Thermodynamic properties of a symmetrical binary mixture in the coexistence region

    SciTech Connect

    Das, Subir K.; Binder, Kurt

    2011-12-15

    A three-dimensional symmetric binary fluid is studied, as a function of temperature, in the two-phase (liquid-liquid) coexistence region via Monte Carlo simulations. Particular focus has been in the understanding of curvature-dependent interfacial tension, which is observed to vary as {sigma}(R)={sigma}({infinity})/[1+2((l/R)){sup 2}], implying that a Tolman length is zero in the limit R{yields}{infinity}. The length l is found to have a critical divergence the same as the correlation length, but its amplitude is significantly larger (l{approx_equal}4{xi}). Our findings hence imply that the barrier against homogeneous nucleation is significantly reduced (in comparison with the classical nucleation theory) in the critical region. We also report results for the critical behavior of the flat interfacial tension {sigma}({infinity}) and the concentration susceptibility, as well as the amplitude ratios involving these thermodynamic quantities. Noting that the interatomic potential in our model is described by the Lennard-Jones form that decays faster that 1/r{sup 3}, all of our results for critical phenomena are expectedly consistent with the Ising universality class of three spatial dimensions.

  19. Liquid-metal binary cycles for stationary power

    NASA Technical Reports Server (NTRS)

    Gutstein, M.; Furman, E. R.; Kaplan, G. M.

    1975-01-01

    The use of topping cycles to increase electric power plant efficiency is discussed, with particular attention to mercury and alkali metal Rankine cycle systems that could be considered for topping cycle applications. An overview of this technology, possible system applications, the required development, and possible problem areas is presented.

  20. Thermodynamic properties of gaseous fluorocarbons and isentropic equilibrium expansions of two binary mixtures of fluorocarbons and argon

    NASA Technical Reports Server (NTRS)

    Talcott, N. A., Jr.

    1977-01-01

    Equations and computer code are given for the thermodynamic properties of gaseous fluorocarbons in chemical equilibrium. In addition, isentropic equilibrium expansions of two binary mixtures of fluorocarbons and argon are included. The computer code calculates the equilibrium thermodynamic properties and, in some cases, the transport properties for the following fluorocarbons: CCl2F, CCl2F2, CBrF3, CF4, CHCl2F, CHF3, CCL2F-CCl2F, CCLF2-CClF2, CF3-CF3, and C4F8. Equilibrium thermodynamic properties are tabulated for six of the fluorocarbons(CCl3F, CCL2F2, CBrF3, CF4, CF3-CF3, and C4F8) and pressure-enthalpy diagrams are presented for CBrF3.

  1. The thermodynamic cycle models for geothermal power plants by considering the working fluid characteristic

    NASA Astrophysics Data System (ADS)

    Mulyana, Cukup; Adiprana, Reza; Saad, Aswad H.; M. Ridwan, H.; Muhammad, Fajar

    2016-02-01

    The scarcity of fossil energy accelerates the development of geothermal power plant in Indonesia. The main issue is how to minimize the energy loss from the geothermal working fluid so that the power generated can be increased. In some of geothermal power plant, the hot water which is resulted from flashing is flown to injection well, and steam out from turbine is condensed in condenser, while the temperature and pressure of the working fluid is still high. The aim of this research is how the waste energy can be re-used as energy source to generate electric power. The step of the research is started by studying the characteristics of geothermal fluid out from the well head. The temperature of fluid varies from 140°C - 250°C, the pressure is more than 7 bar and the fluid phase are liquid, gas, or mixing phase. Dry steam power plant is selected for vapor dominated source, single or multiple flash power plant is used for dominated water with temperature > 225°C, while the binary power plant is used for low temperature of fluid < 160°C. Theoretically, the process in the power plant can be described by thermodynamic cycle. Utilizing the heat loss of the brine and by considering the broad range of working fluid temperature, the integrated geothermal power plant has been developed. Started with two ordinary single flash power plants named unit 1 and unit 2, with the temperature 250°C resulting power is W1'+W2'. The power is enhanced by utilizing the steam that is out from first stage of the turbine by inputting the steam to the third stage, the power of the plant increase with W1''+W2" or 10% from the original power. By using flasher, the water from unit 1 and 2 is re-flashed at 200°C, and the steam is used to drive the turbine in unit 3, while the water is re-flashed at the temperature170°C and the steam is flown to the same turbine (unit 3) resulting the power of W3+W4. Using the fluid enthalpy, the calculated power of these double and triple flash power plant

  2. Thermodynamic Cycle and CFD Analyses for Hydrogen Fueled Air-breathing Pulse Detonation Engines

    NASA Technical Reports Server (NTRS)

    Povinelli, Louis A.; Yungster, Shaye

    2002-01-01

    This paper presents the results of a thermodynamic cycle analysis of a pulse detonation engine (PDE) using a hydrogen-air mixture at static conditions. The cycle performance results, namely the specific thrust, fuel consumption and impulse are compared to a single cycle CFD analysis for a detonation tube which considers finite rate chemistry. The differences in the impulse values were indicative of the additional performance potential attainable in a PDE.

  3. On the thermal efficiency of power cycles in finite time thermodynamics

    NASA Astrophysics Data System (ADS)

    Momeni, Farhang; Morad, Mohammad Reza; Mahmoudi, Ashkan

    2016-09-01

    The Carnot, Diesel, Otto, and Brayton power cycles are reconsidered endoreversibly in finite time thermodynamics (FTT). In particular, the thermal efficiency of these standard power cycles is compared to the well-known results in classical thermodynamics. The present analysis based on FTT modelling shows that a reduction in both the maximum and minimum temperatures of the cycle causes the thermal efficiency to increase. This is antithetical to the existing trend in the classical references. Under the assumption of endoreversibility, the relation between the efficiencies is also changed to {η }{{Carnot}}\\gt {η }{{Brayton}}\\gt {η }{{Diesel}}\\gt {η }{{Otto}}, which is again very different from the corresponding classical results. The present results benefit a better understanding of the important role of irreversibility on heat engines in classical thermodynamics.

  4. Thermodynamic equation of state approach for the choice of working fluids of absorption cooling cycles

    NASA Astrophysics Data System (ADS)

    Gomez, A. L.; Mansoori, G. A.

    1983-01-01

    A methodology is developed for the application of thermodynamic equations of state of fluids and fluid mixtures in evaluating working fluid combinations of absorption cooling cycles. Thermodynamic phase equilibrium formulation of this methodology is presented. In the application of this approach for the comparative study and choice of working fluids, the Redlich-Kwong equation of state is used for a number of possible working fluid combinations for solar absorption cooling cycles. It is demonstrated that when limited experimental data are at hand this approach could be a useful screening technique for potential working fluid combinations.

  5. Computer simulation-molecular-thermodynamic framework to predict the micellization behavior of mixtures of surfactants: application to binary surfactant mixtures.

    PubMed

    Iyer, Jaisree; Mendenhall, Jonathan D; Blankschtein, Daniel

    2013-05-30

    We present a computer simulation-molecular-thermodynamic (CSMT) framework to model the micellization behavior of mixtures of surfactants in which hydration information from all-atomistic simulations of surfactant mixed micelles and monomers in aqueous solution is incorporated into a well-established molecular-thermodynamic framework for mixed surfactant micellization. In addition, we address the challenges associated with the practical implementation of the CSMT framework by formulating a simpler mixture CSMT model based on a composition-weighted average approach involving single-component micelle simulations of the mixture constituents. We show that the simpler mixture CSMT model works well for all of the binary surfactant mixtures considered, except for those containing alkyl ethoxylate surfactants, and rationalize this finding molecularly. The mixture CSMT model is then utilized to predict mixture CMCs, and we find that the predicted CMCs compare very well with the experimental CMCs for various binary mixtures of linear surfactants. This paper lays the foundation for the mixture CSMT framework, which can be used to predict the micellization properties of mixtures of surfactants that possess a complex chemical architecture, and are therefore not amenable to traditional molecular-thermodynamic modeling.

  6. Thermodynamic analysis of five compressed-air energy-storage cycles. [Using CAESCAP computer code

    SciTech Connect

    Fort, J. A.

    1983-03-01

    One important aspect of the Compressed-Air Energy-Storage (CAES) Program is the evaluation of alternative CAES plant designs. The thermodynamic performance of the various configurations is particularly critical to the successful demonstration of CAES as an economically feasible energy-storage option. A computer code, the Compressed-Air Energy-Storage Cycle-Analysis Program (CAESCAP), was developed in 1982 at the Pacific Northwest Laboratory. This code was designed specifically to calculate overall thermodynamic performance of proposed CAES-system configurations. The results of applying this code to the analysis of five CAES plant designs are presented in this report. The designs analyzed were: conventional CAES; adiabatic CAES; hybrid CAES; pressurized fluidized-bed CAES; and direct coupled steam-CAES. Inputs to the code were based on published reports describing each plant cycle. For each cycle analyzed, CAESCAP calculated the thermodynamic station conditions and individual-component efficiencies, as well as overall cycle-performance-parameter values. These data were then used to diagram the availability and energy flow for each of the five cycles. The resulting diagrams graphically illustrate the overall thermodynamic performance inherent in each plant configuration, and enable a more accurate and complete understanding of each design.

  7. Thermodynamic analysis of four magnetic heat-pump cycles

    NASA Astrophysics Data System (ADS)

    Chen, F. C.; Murphy, R. W.; Mei, V. C.; Chen, G. L.

    1992-10-01

    The characteristics of four thermomagnetic heat pump cycles (Carnot, Ericsson, Stirling, and regenerative) are analyzed over extended ranges of temperature lift. The analysis is carried out for gadolinium operating between 0 and 7 Tesla, with a heat-rejection temperature of 320 K. A 42-percent reduction in the coefficient of performance at 260 K cooling temperature and a 15-percent reduction in capacity at 232 K cooling temperature is predicted for the magnetic Ericsson cycle as compared with the ideal regenerative cycle. It is suggested that the potential irreversibilities from this one source alone may adversely affect the viability of certain proposed magnetic heat pump concepts if the relevant loss mechanisms are not adequately addressed.

  8. The Shape of Solar Cycles Described by a Simplified Binary Mixture of Gaussian Functions

    NASA Astrophysics Data System (ADS)

    Li, F. Y.; Xiang, N. B.; Kong, D. F.; Xie, J. L.

    2017-01-01

    Sunspot cycles usually present a double-peak structure. This work is devoted to using a function to describe the shape of sunspot cycles, including bimodal cycles, and we find that the shape of sunspot cycles can be described by a binary mixture of Gaussian functions with six parameters, two amplitudes, two gradients of curve, and two rising times, and the parameters could be reduced to three. The fitting result of this binary mixture of Gaussian functions is compared with some other functions used previously in the literature, and this function works pretty well, especially at cycle peaks. It is worth mentioning that the function can describe well the shape of those sunspot cycles that show double peaks, and it is superior to the binary mixture of the Laplace functions that was once utilized. The Solar Influences Data Analysis Center, on behalf of the World Data Center, recently issued a new version (version 2) of sunspot number. The characteristics of sunspot cycles are investigated, based on the function description of the new version.

  9. The Thermodynamics of the Krebs Cycle and Related Compounds

    NASA Astrophysics Data System (ADS)

    Miller, Stanley L.; Smith-Magowan, David

    1990-07-01

    A survey is made of the enthalpies of formation, third law entropies and Gibbs energies available for Krebs cycle and related compounds. These include formate, acetate, succinate, fumarate, glycine, alanine, aspartate and glutamate. The potential of the NAD+/NADH couple is recalculated based on the ethanol/acetaldehyde and isopropanol/acetone equilibria. The reported enzyme catalyzed equilibrium constants of the Krebs cycle reactions are evaluated with estimated errors. These 28 equilibria form a network of reactions that is solved by a least squares regression procedure giving Gibbs energies of formation for 21 Krebs cycle and related compounds. They appear to be accurate to ±0.4 kJṡmol-1 for some compounds but ±1 kJṡmol-1 in less favorable cases. This procedure indicates which third law ΔfG and enzyme equilibria are inaccurate, and allows very accurate ΔfG to be determined for compounds related to the Krebs cycle by measuring enzyme equilibrium constants.

  10. Performance comparison of different thermodynamic cycles for an innovative central receiver solar power plant

    NASA Astrophysics Data System (ADS)

    Reyes-Belmonte, Miguel A.; Sebastián, Andrés; González-Aguilar, José; Romero, Manuel

    2017-06-01

    The potential of using different thermodynamic cycles coupled to a solar tower central receiver that uses a novel heat transfer fluid is analyzed. The new fluid, named as DPS, is a dense suspension of solid particles aerated through a tubular receiver used to convert concentrated solar energy into thermal power. This novel fluid allows reaching high temperatures at the solar receiver what opens a wide range of possibilities for power cycle selection. This work has been focused into the assessment of power plant performance using conventional, but optimized cycles but also novel thermodynamic concepts. Cases studied are ranging from subcritical steam Rankine cycle; open regenerative Brayton air configurations at medium and high temperature; combined cycle; closed regenerative Brayton helium scheme and closed recompression supercritical carbon dioxide Brayton cycle. Power cycle diagrams and working conditions for design point are compared amongst the studied cases for a common reference thermal power of 57 MWth reaching the central cavity receiver. It has been found that Brayton air cycle working at high temperature or using supercritical carbon dioxide are the most promising solutions in terms of efficiency conversion for the power block of future generation by means of concentrated solar power plants.

  11. Geobiochemistry of metabolism: Standard state thermodynamic properties of the citric acid cycle

    NASA Astrophysics Data System (ADS)

    Canovas, Peter A.; Shock, Everett L.

    2016-12-01

    Integrating microbial metabolism into geochemical modeling allows assessments of energy and mass transfer between the geosphere and the microbial biosphere. Energy and power supplies and demands can be assessed from analytical geochemical data given thermodynamic data for compounds involved in catabolism and anabolism. Results are reported here from a critique of the available standard state thermodynamic data for organic acids and acid anions involved in the citric acid cycle (also known as the tricarboxylic acid cycle or the Krebs cycle). The development of methods for estimating standard state data unavailable from experiments is described, together with methods to predict corresponding values at elevated temperatures and pressures using the revised Helgeson-Kirkham-Flowers (HKF) equation of state for aqueous species. Internal consistency is maintained with standard state thermodynamic data for organic and inorganic aqueous species commonly used in geochemical modeling efforts. Standard state data and revised-HKF parameters are used to predict equilibrium dissociation constants for the organic acids in the citric acid cycle, and to assess standard Gibbs energies of reactions for each step in the cycle at elevated temperatures and pressures. The results presented here can be used with analytical data from natural and experimental systems to assess the energy and power demands of microorganisms throughout the habitable ranges of pressure and temperature, and to assess the consequences of abiotic organic compound alteration processes at conditions of subsurface aquifers, sedimentary basins, hydrothermal systems, meteorite parent bodies, and ocean worlds throughout the solar system.

  12. Similarity between quantum mechanics and thermodynamics: entropy, temperature, and Carnot cycle.

    PubMed

    Abe, Sumiyoshi; Okuyama, Shinji

    2011-02-01

    The similarity between quantum mechanics and thermodynamics is discussed. It is found that if the Clausius equality is imposed on the Shannon entropy and the analog of the quantity of heat, then the value of the Shannon entropy comes to formally coincide with that of the von Neumann entropy of the canonical density matrix, and pure-state quantum mechanics apparently transmutes into quantum thermodynamics. The corresponding quantum Carnot cycle of a simple two-state model of a particle confined in a one-dimensional infinite potential well is studied, and its efficiency is shown to be identical to the classical one.

  13. Thermodynamic simulation of a rotating Ericsson-cycle magnetic refrigerator without a regenerator

    NASA Astrophysics Data System (ADS)

    Hakuraku, Y.

    1987-09-01

    A magnetic Ericsson cycle, which consists of two isothermal stages and two isofield stages, is generally thought to require regenerators. However, a new concept makes it possible to realize magnetic refrigerators capable of executing an Ericsson-cycle without using regenerators. The basic principle lies in directly linking the two isofield changes by transferring heat between the isofield stages through heat paths rather than through regenerators. A fundamental configuration is proposed for a rotating magnetic refrigerator that operates based on this concept. A simulation of the thermodynamic cycle in this simplified refrigerator model shows that the system is theoretically feasible.

  14. The effects of thermodynamic stability on wind properties in different low-mass black hole binary states

    NASA Astrophysics Data System (ADS)

    Chakravorty, Susmita; Lee, Julia C.; Neilsen, Joseph

    2013-11-01

    We present a systematic theory-motivated study of the thermodynamic stability condition as an explanation for the observed accretion disc wind signatures in different states of low-mass black hole binaries (BHB). The variability in observed ions is conventionally explained either by variations in the driving mechanisms or by the changes in the ionizing flux or due to density effects, whilst thermodynamic stability considerations have been largely ignored. It would appear that the observability of particular ions in different BHB states can be accounted for through simple thermodynamic considerations in the static limit. Our calculations predict that in the disc-dominated soft thermal and intermediate states, the wind should be thermodynamically stable and hence observable. On the other hand, in the power-law-dominated spectrally hard state the wind is found to be thermodynamically unstable for a certain range of 3.55 ≤ log ξ ≤ 4.20. In the spectrally hard state, a large number of the He-like and H-like ions (including e.g. Fe XXV, Ar XVIII and S XV) have peak ion fractions in the unstable ionization parameter (ξ) range, making these ions undetectable. Our theoretical predictions have clear corroboration in the literature reporting differences in wind ion observability as the BHBs transition through the accretion states While this effect may not be the only one responsible for the observed gradient in the wind properties as a function of the accretion state in BHBs, it is clear that its inclusion in the calculations is crucial for understanding the link between the environment of the compact object and its accretion processes.

  15. Theoretical Analysis of Heat Pump Cycle Characteristics with Pure Refrigerants and Binary Refrigerant Mixtures

    NASA Astrophysics Data System (ADS)

    Kagawa, Noboru; Uematsu, Masahiko; Watanabe, Koichi

    In recent years there has been an increasing interest of the use of nonazeotropic binary mixtures to improve performance in heat pump systems, and to restrict the consumption of chlorofluorocarbon (CFC) refrigerants as internationally agreed-upon in the Montreal Protocol. However, the available knowledge on the thermophysical properties of mixtures is very much limited particularly with respect to quantitative information. In order to systematize cycle performance with Refrigerant 12 (CCl2F2) + Refrigerant 22 (CHClF2) and Refrigerant 22 + Refrigerant 114 (CClF2-CClF2) systems which are technically important halogenated refrigerant mixtures, the heat pump cycle analysis in case of using these mixtures was theoretically studied. It became clear that the maximum coefficients of performance with various pure refrigerants and binary refrigerant mixtures were obtained at the reduced condensing temperature being 0.9 when the same temperature difference between condensing and evaporating temperature was chosen.

  16. Combining multi-mutant and modular thermodynamic cycles to measure energetic coupling networks in enzyme catalysis

    PubMed Central

    Carter, Charles W.; Chandrasekaran, Srinivas Niranj; Weinreb, Violetta; Li, Li; Williams, Tishan

    2017-01-01

    We measured and cross-validated the energetics of networks in Bacillus stearothermophilus Tryptophanyl-tRNA synthetase (TrpRS) using both multi-mutant and modular thermodynamic cycles. Multi-dimensional combinatorial mutagenesis showed that four side chains from this “molecular switch” move coordinately with the active-site Mg2+ ion as the active site preorganizes to stabilize the transition state for amino acid activation. A modular thermodynamic cycle consisting of full-length TrpRS, its Urzyme, and the Urzyme plus each of the two domains deleted in the Urzyme gives similar energetics. These dynamic linkages, although unlikely to stabilize the transition-state directly, consign the active-site preorganization to domain motion, assuring coupled vectorial behavior. PMID:28191480

  17. Raft River binary-cycle geothermal pilot power plant final report

    SciTech Connect

    Bliem, C.J.; Walrath, L.F.

    1983-04-01

    The design and performance of a 5-MW(e) binary-cycle pilot power plant that used a moderate-temperature hydrothermal resource, with isobutane as a working fluid, are examined. Operating problems experienced and solutions found are discussed and recommendations are made for improvements to future power plant designs. The plant and individual systems are analyzed for design specification versus actual performance figures.

  18. Environmental assessmental, geothermal energy, Heber geothermal binary-cycle demonstration project: Imperial County, California

    SciTech Connect

    Not Available

    1980-10-01

    The proposed design, construction, and operation of a commercial-scale (45 MWe net) binary-cycle geothermal demonstration power plant are described using the liquid-dominated geothermal resource at Heber, Imperial County, California. The following are included in the environmental assessment: a description of the affected environment, potential environmental consequences of the proposed action, mitigation measures and monitoring plans, possible future developmental activities at the Heber anomaly, and regulations and permit requirements. (MHR)

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

    PubMed

    Oren, Aharon

    2015-08-01

    This paper explores the early literature on the thermodynamics of processes in the microbial nitrogen cycle, evaluating parameters of transfer of energy which depends on the initial and final states of the system, the mechanism of the reactions involved and the rates of these reactions. Processes discussed include the anaerobic oxidation of ammonium (the anammox reaction), the use of inorganic nitrogen compounds as electron donors for anoxygenic photosynthesis, and the mechanism and bioenergetics of biological nitrogen fixation.

  20. Evaluating the thermodynamic efficiency of hydrogen cycles at wet-steam nuclear power stations

    NASA Astrophysics Data System (ADS)

    Aminov, R. Z.; Egorov, A. N.

    2013-04-01

    Various schematic solutions for implementing a hydrogen cycle on the basis of thermal and nuclear power stations are discussed. Different approaches to construction of cooling systems for the combustion chambers used in hydrogen-oxygen steam generators are described. An example of solution is given in which the combustion chamber is cooled by steam, which is the most efficient one in the thermodynamic respect. Results from an assessment of the thermodynamic efficiency of hydrogen cycles organized on the basis of the power unit of a wet-steam nuclear power station equipped with a K-1000-60/1500 turbine are presented. The thermodynamic efficiency of different schematic and parametric versions of implementing a hydrogen cycle, including those with a satellite turbine operating on displaced steam, is carried out. It is shown that the use of satellite turbines allows the power output and efficiency of the power unit of a wet-steam nuclear power station to be upgraded in a reliable and effective manner.

  1. Counting and correcting thermodynamically infeasible flux cycles in genome-scale metabolic networks.

    PubMed

    De Martino, Daniele; Capuani, Fabrizio; Mori, Matteo; De Martino, Andrea; Marinari, Enzo

    2013-10-14

    Thermodynamics constrains the flow of matter in a reaction network to occur through routes along which the Gibbs energy decreases, implying that viable steady-state flux patterns should be void of closed reaction cycles. Identifying and removing cycles in large reaction networks can unfortunately be a highly challenging task from a computational viewpoint. We propose here a method that accomplishes it by combining a relaxation algorithm and a Monte Carlo procedure to detect loops, with ad hoc rules (discussed in detail) to eliminate them. As test cases, we tackle (a) the problem of identifying infeasible cycles in the E. coli metabolic network and (b) the problem of correcting thermodynamic infeasibilities in the Flux-Balance-Analysis solutions for 15 human cell-type-specific metabolic networks. Results for (a) are compared with previous analyses of the same issue, while results for (b) are weighed against alternative methods to retrieve thermodynamically viable flux patterns based on minimizing specific global quantities. Our method, on the one hand, outperforms previous techniques and, on the other, corrects loopy solutions to Flux Balance Analysis. As a byproduct, it also turns out to be able to reveal possible inconsistencies in model reconstructions.

  2. Gyrochronology of Stars in Wide Binaries in the Kepler K2 Cycle 5 Field

    NASA Astrophysics Data System (ADS)

    Oswalt, Terry D.; Buzasi, Derek L.; Otani, Tomomi

    2017-01-01

    We are determining rotation periods for an ensemble of over 100 wide non-interacting binary stars in the K2 Cycle 5 field that contain two main sequence dwarfs, as well as a smaller sample containing at least one white dwarf component. Observations of such coeval pairs provide the basis for our new investigation of rotation-based age determinations. Such “gyrochronology” ages can achieve a precision that exceeds most other current methods of stellar age determination. A status report on our analysis of the light curves extracted from the K2 Cycle 5 field will be presented.

  3. Development of a thermodynamic model for a cold cycle 3He-4He dilution refrigerator

    NASA Astrophysics Data System (ADS)

    Mueller, B. W.; Miller, F. K.

    2016-10-01

    A thermodynamic model of a 3He-4He cold cycle dilution refrigerator with no actively-driven mechanical components is developed and investigated. The refrigerator employs a reversible superfluid magnetic pump, passive check valves, a phase separation chamber, and a series of recuperative heat exchangers to continuously circulate 3He-4He and maintain a 3He concentration gradient across the mixing chamber. The model predicts cooling power and mixing chamber temperature for a range of design and operating parameters, allowing an evaluation of feasibility for potential 3He-4He cold cycle dilution refrigerator prototype designs. Model simulations for a prototype refrigerator design are presented.

  4. A New Thermodynamic Power Conversion Cycle and Heat Engine for Space Power Applications

    NASA Astrophysics Data System (ADS)

    Baker, Karl W.

    2004-02-01

    A new heat engine concept has been invented that operates on a new two-phase thermodynamic power conversion cycle. This device exploits the space flight proven technique of using a porous capillary structure to separate liquid from vapor through heat addition. This new thermodynamic cycle, the Baker cycle, is different from the existing Rankine because liquid and vapor are at different pressures and are separated during the phase change heat addition process as opposed to the Rankine cycle where liquid and vapor are at the same pressure and mixed during phase change heat addition. This new cycle also differs from Rankine because the heat addition process occurs at varying pressures and temperatures, where as in a Rankine cycle heat addition occurs at constant pressure. It is advantageous to apply this new cycle to space applications because management of the two-phase working fluid in micro gravity can be accomplished as never before using space flight proven Loop Heat Pipe and Capillary Pumped Loop technology. This new power system contains many components with significant flight heritage. Thermodynamic performance calculations are presented for several design cases. The new power cycle and system is inherently more efficient than single-phase systems because minimal compression power is required. One case shows 31.1% overall efficiency with a maximum working fluid temperature of 637.4 K. Since the heat addition process occurs at varying temperatures, waste heat from the spacecraft could be tapped and recovered to supply a large portion of the input energy. For the example cases discussed, between 63.1 to 84.4% of the total input energy could be waste heat. This new system could be used in conjunction with phase change thermal energy storage to supplement power production replacing batteries for solar low-earth-orbit applications. It could also be used as a power converter with a radioisotope heat source yielding efficiencies over 30% while requiring a maximum

  5. Irreversible thermodynamics of open chemical networks. I. Emergent cycles and broken conservation laws

    NASA Astrophysics Data System (ADS)

    Polettini, Matteo; Esposito, Massimiliano

    2014-07-01

    In this paper and Paper II, we outline a general framework for the thermodynamic description of open chemical reaction networks, with special regard to metabolic networks regulating cellular physiology and biochemical functions. We first introduce closed networks "in a box", whose thermodynamics is subjected to strict physical constraints: the mass-action law, elementarity of processes, and detailed balance. We further digress on the role of solvents and on the seemingly unacknowledged property of network independence of free energy landscapes. We then open the system by assuming that the concentrations of certain substrate species (the chemostats) are fixed, whether because promptly regulated by the environment via contact with reservoirs, or because nearly constant in a time window. As a result, the system is driven out of equilibrium. A rich algebraic and topological structure ensues in the network of internal species: Emergent irreversible cycles are associated with nonvanishing affinities, whose symmetries are dictated by the breakage of conservation laws. These central results are resumed in the relation a + b = sY between the number of fundamental affinities a, that of broken conservation laws b and the number of chemostats sY. We decompose the steady state entropy production rate in terms of fundamental fluxes and affinities in the spirit of Schnakenberg's theory of network thermodynamics, paving the way for the forthcoming treatment of the linear regime, of efficiency and tight coupling, of free energy transduction, and of thermodynamic constraints for network reconstruction.

  6. Irreversible thermodynamics of open chemical networks. I. Emergent cycles and broken conservation laws

    SciTech Connect

    Polettini, Matteo Esposito, Massimiliano

    2014-07-14

    In this paper and Paper II, we outline a general framework for the thermodynamic description of open chemical reaction networks, with special regard to metabolic networks regulating cellular physiology and biochemical functions. We first introduce closed networks “in a box”, whose thermodynamics is subjected to strict physical constraints: the mass-action law, elementarity of processes, and detailed balance. We further digress on the role of solvents and on the seemingly unacknowledged property of network independence of free energy landscapes. We then open the system by assuming that the concentrations of certain substrate species (the chemostats) are fixed, whether because promptly regulated by the environment via contact with reservoirs, or because nearly constant in a time window. As a result, the system is driven out of equilibrium. A rich algebraic and topological structure ensues in the network of internal species: Emergent irreversible cycles are associated with nonvanishing affinities, whose symmetries are dictated by the breakage of conservation laws. These central results are resumed in the relation a + b = s{sup Y} between the number of fundamental affinities a, that of broken conservation laws b and the number of chemostats s{sup Y}. We decompose the steady state entropy production rate in terms of fundamental fluxes and affinities in the spirit of Schnakenberg's theory of network thermodynamics, paving the way for the forthcoming treatment of the linear regime, of efficiency and tight coupling, of free energy transduction, and of thermodynamic constraints for network reconstruction.

  7. Irreversible thermodynamics of open chemical networks. I. Emergent cycles and broken conservation laws.

    PubMed

    Polettini, Matteo; Esposito, Massimiliano

    2014-07-14

    In this paper and Paper II, we outline a general framework for the thermodynamic description of open chemical reaction networks, with special regard to metabolic networks regulating cellular physiology and biochemical functions. We first introduce closed networks "in a box", whose thermodynamics is subjected to strict physical constraints: the mass-action law, elementarity of processes, and detailed balance. We further digress on the role of solvents and on the seemingly unacknowledged property of network independence of free energy landscapes. We then open the system by assuming that the concentrations of certain substrate species (the chemostats) are fixed, whether because promptly regulated by the environment via contact with reservoirs, or because nearly constant in a time window. As a result, the system is driven out of equilibrium. A rich algebraic and topological structure ensues in the network of internal species: Emergent irreversible cycles are associated with nonvanishing affinities, whose symmetries are dictated by the breakage of conservation laws. These central results are resumed in the relation a + b = s(Y) between the number of fundamental affinities a, that of broken conservation laws b and the number of chemostats s(Y). We decompose the steady state entropy production rate in terms of fundamental fluxes and affinities in the spirit of Schnakenberg's theory of network thermodynamics, paving the way for the forthcoming treatment of the linear regime, of efficiency and tight coupling, of free energy transduction, and of thermodynamic constraints for network reconstruction.

  8. Binary Gene Expression Patterning of the Molt Cycle: The Case of Chitin Metabolism

    PubMed Central

    Abehsera, Shai; Glazer, Lilah; Tynyakov, Jenny; Plaschkes, Inbar; Chalifa-Caspi, Vered; Khalaila, Isam; Aflalo, Eliahu D.; Sagi, Amir

    2015-01-01

    In crustaceans, like all arthropods, growth is accompanied by a molting cycle. This cycle comprises major physiological events in which mineralized chitinous structures are built and degraded. These events are in turn governed by genes whose patterns of expression are presumably linked to the molting cycle. To study these genes we performed next generation sequencing and constructed a molt-related transcriptomic library from two exoskeletal-forming tissues of the crayfish Cherax quadricarinatus, namely the gastrolith and the mandible cuticle-forming epithelium. To simplify the study of such a complex process as molting, a novel approach, binary patterning of gene expression, was employed. This approach revealed that key genes involved in the synthesis and breakdown of chitin exhibit a molt-related pattern in the gastrolith-forming epithelium. On the other hand, the same genes in the mandible cuticle-forming epithelium showed a molt-independent pattern of expression. Genes related to the metabolism of glucosamine-6-phosphate, a chitin precursor synthesized from simple sugars, showed a molt-related pattern of expression in both tissues. The binary patterning approach unfolds typical patterns of gene expression during the molt cycle of a crustacean. The use of such a simplifying integrative tool for assessing gene patterning seems appropriate for the study of complex biological processes. PMID:25919476

  9. HESS Opinions "Biological catalysis of the hydrological cycle: life's thermodynamic function"

    NASA Astrophysics Data System (ADS)

    Michaelian, K.

    2012-08-01

    Darwinian theory depicts life as being overwhelmingly consumed by a fight for survival in a hostile environment. However, from a thermodynamic perspective, life is a dynamic, out of equilibrium process, stabilizing and coevolving in concert with its abiotic environment. The living components of the biosphere on the Earth's surface of greatest biomass, the plants and cyanobacteria, are involved in the transpiration of a vast amount of water. Transpiration is part of the global water cycle, and it is this cycle that distinguishes Earth from its apparently life-barren neighboring planets, Venus and Mars. The dissipation of sunlight into heat by organic molecules in the biosphere, and its coupling to the water cycle (as well as other abiotic processes), is by far the greatest entropy-producing process occurring on Earth. Life, from this perspective, can be viewed as performing an important thermodynamic function, acting as a dynamic catalyst by aiding irreversible abiotic processes such as the water cycle, hurricanes, and ocean and wind currents to produce entropy. The role of animals in this view is that of unwitting but dedicated servants of the plants and cyanobacteria, helping them to grow, and to spread into initially inhospitable areas.

  10. Exergoeconomic analysis and optimization of an evaporator for a binary mixture of fluids in an organic Rankine cycle

    NASA Astrophysics Data System (ADS)

    Li, You-Rong; Du, Mei-Tang; Wang, Jian-Ning

    2012-12-01

    This paper focuses on the research of an evaporator with a binary mixture of organic working fluids in the organic Rankine cycle. Exergoeconomic analysis and performance optimization were performed based on the first and second laws of thermodynamics, and the exergoeconomic theory. The annual total cost per unit heat transfer rate was introduced as the objective function. In this model, the exergy loss cost caused by the heat transfer irreversibility and the capital cost were taken into account; however, the exergy loss due to the frictional pressure drops, heat dissipation to surroundings, and the flow imbalance were neglected. The variation laws of the annual total cost with respect to the number of transfer units and the temperature ratios were presented. Optimal design parameters that minimize the objective function had been obtained, and the effects of some important dimensionless parameters on the optimal performances had also been discussed for three types of evaporator flow arrangements. In addition, optimal design parameters of evaporators were compared with those of condensers.

  11. THERMODYNAMIC ANALYSIS OF AMMONIA-WATER-CARBON DIOXIDE MIXTURES FOR DESIGNING NEW POWER GENERATION CYCLES

    SciTech Connect

    Ashish Gupta

    2003-01-15

    This project was undertaken with the goal of developing a computational package for the thermodynamic properties of ammonia-water-carbon dioxide mixtures at elevated temperature and pressure conditions. This objective was accomplished by modifying an existing set of empirical equations of state for ammonia-water mixtures. This involved using the Wagner equation of state for the gas phase properties of carbon dioxide. In the liquid phase, Pitzer's ionic model was used. The implementation of this approach in the form of a computation package that can be used for the optimization of power cycles required additional code development. In particular, this thermodynamic model consisted of a large set of non-linear equations. Consequently, in the interest of computational speed and robustness that is required when applied to optimization problems, analytic gradients were incorporated in the Newton solver routines. The equations were then implemented using a stream property predictor to make initial guesses of the composition, temperature, pressure, enthalpy, entropy, etc. near a known state. The predictor's validity is then tested upon the convergence of an iteration. It proved difficult to obtain experimental data from the literature that could be used to test the accuracy of the new thermodynamic property package, and this remains a critical need for future efforts in the area. It was possible, however, to assess the feasibility of using this complicated property prediction package for power cycle design and optimization. Such feasibility was first demonstrated by modification of our Kalina cycle optimization code to use the package with either a deterministic optimizer, MINOS, or a stochastic optimizer using differential evolution, a genetic-algorithm-based technique. Beyond this feasibility demonstration, a new approach to the design and optimization of power cycles was developed using a graph theoretic approach.

  12. Solution thermodynamics and solubilization behavior of diclofenac sodium in binary mixture of Transcutol-HP and water.

    PubMed

    Shazly, G A; Haq, N; Shakeel, F

    2014-05-01

    Solution thermodynamics and solubilization behavior of diclofenac sodium (DS) in binary mixture of Transcutol-HP and water is not reported in the literature so far. Therefore, the aim of the present study was to investigate the solution thermodynamics and solubilization behavior of DS in mono-solvents and various Transcutol-water mixtures at 298.15-333.15 K. The mole fraction solubility of DS was determined by shake flask method and thermodynamic parameters (enthalpies and entropies) were calculated with the help of the modified Apelblat model. The experimental solubility data of DS in all sample matrices was found to be correlated well with the modified Apelblat model with correlation coefficients of 0.9950-0.9990. Absolute relative deviation was found to be less than 3% in most of the Transcutol-water mixtures at each temperature studied. The mole fraction solubility of DS was observed to be highest in pure Transcutol (0.139 at 298.15 K) as compared to pure water and other Transcutol-water mixtures. The enthalpies and entropies for DS dissolution were observed as positive values for all cosolvent mixtures which indicated that the dissolution of DS is endothermic and an entropy-driven process. Based on solubility data, DS was considered as sparingly soluble in pure water and freely soluble in Transcutol. These results indicated that Transcutol could be used as an alternate of ethanol, propylene glycol and polyethylene glycol to enhance aqueous solubility of DS. These preliminary studies could be useful in formulation development of DS especially in terms of liquid dosage forms and injectable formulations.

  13. The Carnot cycle and the teaching of thermodynamics: a historical approach

    NASA Astrophysics Data System (ADS)

    Laranjeiras, Cássio C.; Portela, Sebastião I. C.

    2016-09-01

    The Carnot cycle is a topic that is traditionally present in introductory physics courses dedicated to the teaching of thermodynamics, playing an essential role in introducing the concept of Entropy and the consequent formulation of the second Law. Its effective understanding and contribution to the development of thermodynamics is often hindered, however. Among other things, this is the result of a pragmatic approach, which usually limits itself to presenting the isotherms and adiabatic curves in a P-V diagram and is totally disconnected from the historical fundamentals of Heat Theory. The purpose of this paper is to reveal the potential of an approach to the subject that recovers the historical and social dimensions of scientific knowledge, and to promote reflections about the nature of science (NOS).

  14. An introduction to thermodynamics of renewable cycles for direct solar energy conversion

    SciTech Connect

    Sukhodolsky, A.T.

    1998-07-01

    Mechanical energy is known to be converted into thermal form (heat) without any restriction. Any opposite conversion of heat into mechanical energy owing to work produced in the heat engines has been restricted by principle of Carnot. This communication is to introduce into the elements of thermodynamics for direct energy conversion of light into mechanical energy. The aim is to explain: why without any machines, the efficiency of conversion is able to be by many orders of magnitude greater than the efficiency of direct mechanical action of light given in framework of equilibrium radiation thermodynamics. The development of such a concept is to find out an actual fundamental restriction for the maximum conversion available in several new solar renewable technologies for both direct generation of mechanical vibrations and for extraction of pure water from mixtures owing to self-organization of heat cycles. In order to involve solar light under non-equilibrium with respect to matter as a motive power within thermodynamics, the principle of Carnot for heat engines is assumed to be also valid for renewable processes (cycles). The absorbing part of condensed matter by optical pumping is considered as a heat source for production of entropy by heat-transfer into dark surrounding that plays role of heat sink. Principle of Carnot is used together with common accepted definition of non-equilibrium entropy in order to describe the excitement of heat source and its next relaxation. The new formulation of Carnot theorem and fundamental maximum of renewable conversion is derived. The simplest system of two equal bodies with difference temperatures is considered to show how to find the maximum energy available for renewable conversion. The major difference between equilibrium (reversible) thermodynamics and proposed renewable (non-equilibrium) approach is discussed on this example together with a typical mathematical paradox.

  15. A global optimization method synthesizing heat transfer and thermodynamics for the power generation system with Brayton cycle

    NASA Astrophysics Data System (ADS)

    Fu, Rong-Huan; Zhang, Xing

    2016-09-01

    Supercritical carbon dioxide operated in a Brayton cycle offers a numerous of potential advantages for a power generation system, and a lot of thermodynamics analyses have been conducted to increase its efficiency. Because there are a lot of heat-absorbing and heat-lossing subprocesses in a practical thermodynamic cycle and they are implemented by heat exchangers, it will increase the gross efficiency of the whole power generation system to optimize the system combining thermodynamics and heat transfer theory. This paper analyzes the influence of the performance of heat exchangers on the actual efficiency of an ideal Brayton cycle with a simple configuration, and proposes a new method to optimize the power generation system, which aims at the minimum energy consumption. Although the method is operated only for the ideal working fluid in this paper, its merits compared to that only with thermodynamic analysis are fully shown.

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

    NASA Astrophysics Data System (ADS)

    Memet, F.; Preda, A.

    2015-11-01

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

  17. Binary Stars "Flare" With Predictable Cycles, Analysis of Radio Observations Reveals

    NASA Astrophysics Data System (ADS)

    2002-06-01

    Astronomers have completed a 5-year campaign to monitor continuously radio flares from two groups of binary star systems. This survey is of special interest because it provides evidence that certain binary star systems have predictable activity cycles like our Sun. The survey, which ran from January 1995 to October 2000, was conducted with the National Science Foundation's (NSF) Green Bank Interferometer. The report was presented at the American Astronomical Society (AAS) meeting in Albuquerque, New Mexico, by Mercedes Richards of the University of Virginia, and her collaborators Elizabeth Waltman of the Naval Research Laboratory, and Frank Ghigo of the National Radio Astronomy Observatory (NRAO). "This long-term survey was critical to our understanding of the short- and long-term magnetic cycles of these intriguing star systems," said Richards. The survey focused on the binary star systems Beta Persei and V711 Tauri -- both are about 95 light-years from Earth. Beta Persei is the prototype of the "Algol" class of interacting binary stars. An Algol system contains a hot, blue, main sequence star, along with a cool, orange/red star that is more active than our Sun. V711 Tauri is an "RS Canum Venaticorum" binary, which contains two cool stars that behave like our Sun. "Our survey was the longest-running continuous radio flare survey of Algol or RS Canum Venaticorum binary star systems," said Richards. A flare is an enormous explosion on the surface of a star, which is accompanied by a release of magnetic energy. Flares can be detected over the full range of wavelengths from gamma rays to the radio. It is estimated that the energy release in a flare on the Sun is equivalent to a billion megatons of TNT. The strength of the magnetic field and the amount of activity it displays, like sunspots and flares, are directly related to the rotation or "spin" of the star. In Beta Persei and V711 Tauri, the cool star spins once every 3 days, compared to once every month in the

  18. Universal efficiency bounds of weak-dissipative thermodynamic cycles at the maximum power output

    NASA Astrophysics Data System (ADS)

    Guo, Juncheng; Wang, Junyi; Wang, Yuan; Chen, Jincan

    2013-01-01

    Based on the assumption of weak dissipation introduced by Esposito [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.105.150603 105, 150603 (2010)], analytic expressions for the efficiency bounds of several classes of typical thermodynamic cycles at the maximum power output are derived. The results obtained are of universal significance. They can be used to conveniently reveal the general characteristics of not only Carnot heat engines, but also isothermal chemical engines, non-Carnot heat engines, flux flow engines, gravitational engines, quantum Carnot heat engines, and two-level quantum Carnot engines at the maximum power output and to directly draw many important conclusions in the literature.

  19. Thermodynamic properties of binary hcp solution phases from special quasirandom structures

    NASA Astrophysics Data System (ADS)

    Shin, Dongwon; Arróyave, Raymundo; Liu, Zi-Kui; van de Walle, Axel

    2006-07-01

    Three different special quasirandom structures (SQS’s) of the substitutional hcp A1-xBx binary random solutions ( x=0.25 , 0.5, and 0.75) are presented. These structures are able to mimic the most important pair and multi-site correlation functions corresponding to perfectly random hcp solutions at those compositions. Due to the relatively small size of the generated structures, they can be used to calculate the properties of random hcp alloys via first-principles methods. The structures are relaxed in order to find their lowest energy configurations at each composition. In some cases, it was found that full relaxation resulted in complete loss of their parental symmetry as hcp so geometry optimizations in which no local relaxations are allowed were also performed. In general, the first-principles results for the seven binary systems (Cd-Mg, Mg-Zr, Al-Mg, Mo-Ru, Hf-Ti, Hf-Zr, and Ti-Zr) show good agreement with both formation enthalpy and lattice parameters measurements from experiments. It is concluded that the SQS’s presented in this work can be widely used to study the behavior of random hcp solutions.

  20. The thermodynamics of pyrochemical processes for liquid metal reactor fuel cycles

    SciTech Connect

    Johnson, I.

    1987-01-01

    The thermodynamic basis for pyrochemical processes for the recovery and purification of fuel for the liquid metal reactor fuel cycle is described. These processes involve the transport of the uranium and plutonium from one liquid alloy to another through a molten salt. The processes discussed use liquid alloys of cadmium, zinc, and magnesium and molten chloride salts. The oxidation-reduction steps are done either chemically by the use of an auxiliary redox couple or electrochemically by the use of an external electrical supply. The same basic thermodynamics apply to both the salt transport and the electrotransport processes. Large deviations from ideal solution behavior of the actinides and lanthanides in the liquid alloys have a major influence on the solubilities and the performance of both the salt transport and electrotransport processes. Separation of plutonium and uranium from each other and decontamination from the more noble fission product elements can be achieved using both transport processes. The thermodynamic analysis is used to make process design computations for different process conditions.

  1. Thermodynamic design of methane liquefaction system based on reversed-Brayton cycle

    NASA Astrophysics Data System (ADS)

    Chang, Ho-Myung; Chung, Myung Jin; Kim, Min Jee; Park, Seong Bum

    2009-06-01

    A thermodynamic design is performed for reversed-Brayton refrigeration cycle to liquefy methane separated from landfill gas (LFG) in distributed scale. Objective of the design is to find the most efficient operating conditions for a skid-mount type of liquefaction system that is capable of LNG production at 160 l/h. Special attention is paid on liquefying counterflow heat exchanger, because the temperature difference between cold refrigerant and methane is smallest at the middle of heat exchanger, which seriously limits the overall thermodynamic performance of the liquefaction system. Nitrogen is selected as refrigerant, as it is superior to helium in thermodynamic efficiency. In order to consider specifically the size effect of heat exchangers, the performance of plate-fin heat exchangers is estimated with rigorous numerical calculations by incorporating a commercial code for properties of methane and the refrigerant. Optimal conditions in operating pressure and heat exchanger size are presented and discussed for prototype construction under a governmental project in Korea.

  2. THERMODYNAMIC ANALYSIS OF OPEN-CYCLE MULTISHAFT POWER SYSTEM WITH MULTIPLE REHEAT AND INTERCOOL

    NASA Technical Reports Server (NTRS)

    Glassman, A. J.

    1994-01-01

    This program computes the specific power output, specific fuel consumption, and cycle efficiency functions of turbine-inlet temperature, compressor pressure ratio, and component performance factors for power systems having any number of shafts up to a maximum of five. On each shaft there can be any number of compressors and turbines up to a maximum of five each, along with any specified number of intervening intercoolers and reheaters. A recuperator can be included in the system and turbine coolant flow can be accounted for. The combustion-gas thermodynamic properties are valid for any fuel consisting of hydrogen and/or carbon only. The program should be used with maximum temperatures no higher than about 2000 K (3140 degrees Fahrenheit) because molecular dissociation is not included in the stoichiometry. Improvements in cycle performance resulting from the use of intercooling, reheating, and recuperation can also be determined. This program has been implemented on the IBM 7094.

  3. Thermodynamic and structural properties of binary calcium silicate glasses: insights from molecular dynamics.

    PubMed

    Jabraoui, H; Malki, M; Hasnaoui, A; Badawi, M; Ouaskit, S; Lebègue, S; Vaills, Y

    2017-07-26

    We study calcium silicate glass of composition (CaO)X(SiO2)(1-X), where X = 40-70 mol%, by means of molecular dynamics for different cooling rates between 10(11)-10(13) K s(-1). The thermodynamic and kinetic properties of calcium silicate materials are determined, discussed, and correlated to local structures at short and intermediate range orders and to the potential energies of the oxygen atoms. We show that the amount of non-bridging oxygens and the appearance of free oxygens are related to the increase of the glass transition temperature for an increasing CaO content. Our results are analyzed and discussed in connection with the available experimental data.

  4. Perturbed-chain SAFT as a versatile tool for thermodynamic modeling of binary mixtures containing isoquinolinium ionic liquids.

    PubMed

    Domańska, Urszula; Zawadzki, Maciej; Paduszyński, Kamil; Królikowski, Marek

    2012-07-19

    This contribution reports a recapitulation of our experimental and modeling study on thermodynamic behavior of binary systems containing N-alkylisoquinolinium ionic liquids (ILs) based on bis(trifluoromethylsulfonyl)imide anion, [CniQuin][NTf2] (n = 4,6,8). In particular, we report isothermal vapor-liquid equilibrium (VLE) phase diagrams and molar excess enthalpies of mixing (H(E)) for binary mixtures of [C8iQuin][NTf2] IL with various organic solutes including benzene, toluene, thiophene, pyridine, and butan-1-ol. The measured VLE data represented simple homozeotropic behavior with either negative or positive deviations from ideality, depending on polarity of the solute, temperature, and mole fraction of IL. In turn, the obtained data on H(E) were negative and positive for the mixtures containing aromatic hydrocarbons or thiophene and butan-1-ol, respectively, in the whole range of IL's concentration. All of the measured and some previously published data regarding phase behavior of [C8iQuin][NTf2] IL were analyzed and successfully described in terms of perturbed-chain statistical associating fluid theory (PC-SAFT). The methodology used in this work was described by us previously. In general, the proposed modeling results in VLE diagrams, which are in excellent agreement with experimental data. In the case of H(E), the results obtained are good as well but not so satisfactory such as those for VLE. Nevertheless, they seem to be very promising if one take into account the simplicity of the utilized molecular model against significant complexity of IL-based systems. Thus, we concluded that PC-SAFT equation of state can be viewed as a powerful and robust tool for modeling of systems involving ILs.

  5. Influence of the type of working fluid in the lower cycle and superheated steam parameters in the upper cycle on effectiveness of operation of binary power plant

    NASA Astrophysics Data System (ADS)

    Stachel, Aleksander A.; Wiśniewski, Sławomir

    2015-03-01

    In the paper presented have been the results of the analysis of effectiveness of operation of binary power plant consisting of combined two Clausius-Rankine cycles, namely the binary cycle with water as a working fluid in the upper cycle and organic substance as a working fluid in the lower cycle, as well as a single fluid component power plant operating also in line with the C-R cycle for superheated steam, with water as a working fluid. The influence of the parameters of superheated steam in the upper cycle has been assessed as well as the type of working fluid in the lower cycle. The results of calculations have been referred to the single-cycle classical steam power plant operating at the same parameters of superheated steam and the same mass flow rate of water circulating in both cycles. On the basis of accomplished analysis it has been shown that the binary power plant shows a greater power with respect to the reference power plant.

  6. Thermodynamic analysis and optimization of the cycle parameters of regenerative gas-turbine converters for solar power stations /SGTS/

    NASA Astrophysics Data System (ADS)

    Drabkin, L. M.

    A thermodynamic analysis compares the efficiency of a simple solar-driven helium gas turbine generator with two improved schemes employing regeneration of heat from the recirculating working fluid. One scheme uses a recuperator based on direct heat exchange while the other recovers heat by thermoelectric conversion in addition to the recuperator. The specific area of the heat exchange surface is calculated along with other system parameters for maximum thermodynamic cycle efficiency. Gains of up to 15% are demonstrated.

  7. Applicability of the minimum entropy generation method for optimizing thermodynamic cycles

    NASA Astrophysics Data System (ADS)

    Cheng, Xue-Tao; Liang, Xin-Gang

    2013-01-01

    Entropy generation is often used as a figure of merit in thermodynamic cycle optimizations. In this paper, it is shown that the applicability of the minimum entropy generation method to optimizing output power is conditional. The minimum entropy generation rate and the minimum entropy generation number do not correspond to the maximum output power when the total heat into the system of interest is not prescribed. For the cycles whose working medium is heated or cooled by streams with prescribed inlet temperatures and prescribed heat capacity flow rates, it is theoretically proved that both the minimum entropy generation rate and the minimum entropy generation number correspond to the maximum output power when the virtual entropy generation induced by dumping the used streams into the environment is considered. However, the minimum principle of entropy generation is not tenable in the case that the virtual entropy generation is not included, because the total heat into the system of interest is not fixed. An irreversible Carnot cycle and an irreversible Brayton cycle are analysed. The minimum entropy generation rate and the minimum entropy generation number do not correspond to the maximum output power if the heat into the system of interest is not prescribed.

  8. Thermodynamic analysis and optimization of fuel cell based Combined Cycle Cogeneration plant

    NASA Astrophysics Data System (ADS)

    Odukoya, Adedoyin

    Power plants operating in combined cycle cogeneration configuration are becoming increasingly popular because of high energy conversion efficiency and reduced pollutant and green-house gas emissions. On the other hand, fuel cell technology continues to be of global interest because it can operate with very low to 0% green-house gas emission depending on the fuel. The aim of the present work is to investigate the effect of co-firing of natural gas with synthetic gas generated from coal gasification on the thermodynamic performance of an air blown coal gasification Combined Cycle Cogeneration unit with a solid oxide fuel cell (SOFC) arrangement. The effects of the operating temperature of the SOFC and the pressure ratio and turbine inlet temperature of the gas turbine on the net work output and efficiency of the power cycles on the cogeneration unit are simulated. Simulations are also conducted on the thermal and cogeneration efficiencies of the individual power cycle as well as the overall plants respectively. The optimal pressure ratio, temperature of operation of the SOFC and, gas turbine inlet temperature was determined using a sequential quadratic program solver base on the Quasi-Newton algorithm.

  9. Preliminary performance estimates of binary geothermal cycles using mixed-halocarbon working fluids

    SciTech Connect

    Bliem, C.J.

    1986-07-01

    The performance of Rankine cycle binary systems for power generation using a hydrothermal resource has been investigated as a part of the DOE/GTD Heat Cycle Research Program. To date mixtures of paraffin-type hydrocarbons and water-ammonia mixtures have been investigated. This report gives the first results of the consideration of mixtures of halocarbons as working fluids in these power cycles. The performance of mixtures of Refrigerant-114 (R-114) and Refrigerant-22 (R-22) in combinations from pure R-114 to pure R-22 was calculated for such cycles. Various alternatives were considered: (1) minimum geofluid outlet temperature constraint/no constraint, (2) dry turbine expansion/expansion through vapor dome, (3) use of a turbine exhaust gas recuperator/no recuperator. Results of the study indicate that the halocarbon mixtures are at least as good as the hydrocarbon mixtures previously analyzed for a 360/sup 0/F resource. The magnitude of the net geofluid effectiveness (net energy produced per unit mass geofluid flow) for the R-114/R-22 mixtures is the same as for the best hydrocarbon mixtures previously analyzed. The percentage improvement in effectiveness in using mixtures over using the pure fluids as working fluids is comparable for both classes of working fluids. Recommendations are made to continue investigation of the halocarbon mixtures as possible alternatives to the hydrocarbon working fluids.

  10. Theoretical Analysis of Heat Pump Cycle Characteristics with Pure Refrigerants and Binary Refrigerant Mixtures

    NASA Astrophysics Data System (ADS)

    Kagawa, Noboru; Uematsu, Masahiko; Watanabe, Koichi

    In recent years there has been an increasing interest of the use of nonazeotropic binary mixtures to improve performance in heat pump systems, and to restrict the consumption of chlorofluorocarbon (CFC) refrigerants as internationally agreed-upon in the Montreal Protocol. However, the available knowledge on the thermophysical properties of mixtures is very much limited particularly with respect to quantitative information. In order to examine cycle performance for Refrigerant 12 (CCl2F2) + Refrigerant 22 (CHClF2) and Refrigerant 22 + Refrigerant 114 (CClF2-CClF2) systems which are technically important halogenated refrigerant mixtures, the heat pump cycle analysis in case of using pure Refrigerants 12, 22 and 114 was theoretically carried out in the present paper. For the purpose of systematizing the heat pump cycle characteristics with pure refrigerants, the cycle analysis for Refrigerants 502, 13B1, 152a, 717 (NH3) and 290 (C3H8) was also examined. It became clear that the maximum coefficients of performance with various refrigerants were obtained at the reduced condensing temperature being 0.9 when the same temperature difference between condensing and evaporating temperature was chosen.

  11. Thermodynamics of micellization of aqueous solutions of binary mixtures of two anionic surfactants.

    PubMed

    Szymczyk, Katarzyna; Jańczuk, Bronisław

    2009-04-21

    The thermodynamics of micellization of mixed anionic/anionic surfactant solutions, that is, sodium dodecyl sulfate (SDDS) and sodium decyl sulfate (SDS), have been studied by surface tension, density, and conductivity measurements. The obtained results indicate that the values of critical micelle concentration strongly depend on the composition of the mixture and that the mole fraction of surfactants in the mixed micelle calculated on the basis of Rosen and Villeneuve approaches are different from those in the bulk phase. The small negative deviation from the linear relationship between the critical micelle concentrations and composition of SDDS and SDS mixtures in the bulk phase, the values of the molecular interaction parameters, activity coefficients, and the excess Gibbs energy of mixed micelle formation calculated on the basis of Rosen and Villeneuve approaches and calculations based on the MT theory of Blankschtein proved that there is synergism in mixed micelle formation of aqueous solutions of SDDS and SDS. It was also found that the values of the standard Gibbs energy of micellization for the mixture of these two surfactants which confirm the synergetic effect can be predicted on the basis of the proposed equations which include the values of the mole fraction of surfactant in the mixed micelle and excess Gibbs energy of micellization of SDDS and SDS. Knowing the values of mole fractions of surfactants in the mixed micelle, it is also possible to calculate the volume change of surfactants after the micellization process.

  12. Thermodynamic Investigation of the Effect of Interface Curvature on the Solid-Liquid Equilibrium and Eutectic Point of Binary Mixtures.

    PubMed

    Liu, Fanghui; Zargarzadeh, Leila; Chung, Hyun-Joong; Elliott, Janet A W

    2017-09-29

    Thermodynamic phase behavior is affected by curved interfaces in micro- and nanoscale systems. For example, capillary freezing point depression is associated with the pressure difference between the solid and liquid phases caused by interface curvature. In this study, the thermal, mechanical, and chemical equilibrium conditions are derived for binary solid-liquid equilibrium with a curved solid-liquid interface due to confinement in a capillary. This derivation shows the equivalence of the most general forms of the Gibbs-Thomson and Ostwald-Freundlich equations. As an example, the effect of curvature on solid-liquid equilibrium is explained quantitatively for the water/glycerol system. Considering the effect of a curved solid-liquid interface, a complete solid-liquid phase diagram is developed over a range of concentrations for the water/glycerol system (including the freezing of pure water or precipitation of pure glycerol depending on the concentration of the solution). This phase diagram is compared with the traditional phase diagram in which the assumption of a flat solid-liquid interface is made. We show the extent to which nanoscale interface curvature can affect the composition-dependent freezing and precipitating processes, as well as the change in the eutectic point temperature and concentration with interface curvature. Understanding the effect of curvature on solid-liquid equilibrium in nanoscale capillaries has applications in the food industry, soil science, cryobiology, nanoporous materials, and various nanoscience fields.

  13. Experimental study of heat pump thermodynamic cycles using CO2 based mixtures - Methodology and first results

    NASA Astrophysics Data System (ADS)

    Bouteiller, Paul; Terrier, Marie-France; Tobaly, Pascal

    2017-02-01

    The aim of this work is to study heat pump cycles, using CO2 based mixtures as working fluids. Since adding other chemicals to CO2 moves the critical point and generally equilibrium lines, it is expected that lower operating pressures as well as higher global efficiencies may be reached. A simple stage pure CO2 cycle is used as reference, with fixed external conditions. Two scenarios are considered: water is heated from 10 °C to 65 °C for Domestic Hot Water scenario and from 30 °C to 35 °C for Central Heating scenario. In both cases, water at the evaporator inlet is set at 7 °C to account for such outdoor temperature conditions. In order to understand the dynamic behaviour of thermodynamic cycles with mixtures, it is essential to measure the fluid circulating composition. To this end, we have developed a non intrusive method. Online optical flow cells allow the recording of infrared spectra by means of a Fourier Transform Infra Red spectrometer. A careful calibration is performed by measuring a statistically significant number of spectra for samples of known composition. Then, a statistical model is constructed to relate spectra to compositions. After calibration, compositions are obtained by recording the spectrum in few seconds, thus allowing for a dynamic analysis. This article will describe the experimental setup and the composition measurement techniques. Then a first account of results with pure CO2, and with the addition of propane or R-1234yf will be given.

  14. A parametric analysis microcomputer model for evaluating the thermodynamic performance of a reciprocating Brayton cycle engine

    SciTech Connect

    Tsongas, G.A. ); White, T.J. )

    1989-10-01

    A Brayton open-cycle engine is under development. It operates similarly to a gas turbine engine, but uses reciprocating piston compressor and expander components. The design appears to have a number of advantages, including multifuel capability, the potential for lower cost, and the ability to be scaled to small sizes without significant loss in efficiency. An interactive microcomputer model has been developed that analyzes the thermodynamic performance of the engine. The model incorporates all the important irreversibilities found in piston devices, including heat transfer, mechanical friction, pressure losses, and mass loss and recirculation. There are 38 input parameters to the model. Key independent operating parameters are maximum temperature, compressor rpm, and pressure ratio. The development of the model and its assumptions are outlined in this paper. The emphasis is on model applications.

  15. Thermodynamic analysis of a Rankine cycle powered vapor compression ice maker using solar energy.

    PubMed

    Hu, Bing; Bu, Xianbiao; Ma, Weibin

    2014-01-01

    To develop the organic Rankine-vapor compression ice maker driven by solar energy, a thermodynamic model was developed and the effects of generation temperature, condensation temperature, and working fluid types on the system performance were analyzed. The results show that the cooling power per square meter collector and ice production per square meter collector per day depend largely on generation temperature and condensation temperature and they increase firstly and then decrease with increasing generation temperature. For every working fluid there is an optimal generation temperature at which organic Rankine efficiency achieves the maximum value. The cooling power per square meter collector and ice production per square meter collector per day are, respectively, 126.44 W m(-2) and 7.61 kg m(-2) day(-1) at the generation temperature of 140 °C for working fluid of R245fa, which demonstrates the feasibility of organic Rankine cycle powered vapor compression ice maker.

  16. Atomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporter

    NASA Astrophysics Data System (ADS)

    Moradi, Mahmoud; Enkavi, Giray; Tajkhorshid, Emad

    2015-09-01

    Membrane transporters actively translocate their substrate by undergoing large-scale structural transitions between inward- (IF) and outward-facing (OF) states (`alternating-access' mechanism). Despite extensive structural studies, atomic-level mechanistic details of such structural transitions, and as importantly, their coupling to chemical events supplying the energy, remain amongst the most elusive aspects of the function of these proteins. Here we present a quantitative, atomic-level description of the functional thermodynamic cycle for the glycerol-3-phosphate:phosphate antiporter GlpT by using a novel approach in reconstructing the free energy landscape governing the IF<-->OF transition along a cyclic transition pathway involving both apo and substrate-bound states. Our results provide a fully atomic description of the complete transport process, offering a structural model for the alternating-access mechanism and substantiating the close coupling between global structural transitions and local chemical events.

  17. Thermodynamic and dynamic controls on changes in the zonally anomalous hydrological cycle

    NASA Astrophysics Data System (ADS)

    Wills, Robert C.; Byrne, Michael P.; Schneider, Tapio

    2016-05-01

    The wet gets wetter, dry gets drier paradigm explains the expected moistening of the extratropics and drying of the subtropics as the atmospheric moisture content increases with global warming. Here we show, using precipitation minus evaporation (P - E) data from climate models, that it cannot be extended to apply regionally to deviations from the zonal mean. Wet and dry zones shift substantially in response to shifts in the stationary-eddy circulations that cause them. Additionally, atmospheric circulation changes lead to a smaller increase in the zonal variance of P - E than would be expected from atmospheric moistening alone. The P - E variance change can be split into dynamic and thermodynamic components through an analysis of the atmospheric moisture budget. This reveals that a weakening of stationary-eddy circulations and changes in the zonal variation of transient-eddy moisture fluxes moderate the strengthening of the zonally anomalous hydrological cycle with global warming.

  18. Atomic-level characterization of transport cycle thermodynamics in the glycerol-3-phosphate:phosphate antiporter

    PubMed Central

    Moradi, Mahmoud; Enkavi, Giray; Tajkhorshid, Emad

    2015-01-01

    Membrane transporters actively translocate their substrate by undergoing large-scale structural transitions between inward- (IF) and outward-facing (OF) states (‘alternating-access' mechanism). Despite extensive structural studies, atomic-level mechanistic details of such structural transitions, and as importantly, their coupling to chemical events supplying the energy, remain amongst the most elusive aspects of the function of these proteins. Here we present a quantitative, atomic-level description of the functional thermodynamic cycle for the glycerol-3-phosphate:phosphate antiporter GlpT by using a novel approach in reconstructing the free energy landscape governing the IF↔OF transition along a cyclic transition pathway involving both apo and substrate-bound states. Our results provide a fully atomic description of the complete transport process, offering a structural model for the alternating-access mechanism and substantiating the close coupling between global structural transitions and local chemical events. PMID:26417850

  19. Computing phase relations involving ordered solid solutions ab initio: Three thermodynamic approaches to the Fe-Si binary

    NASA Astrophysics Data System (ADS)

    Asimow, P. D.; Caracas, R.; Wolf, A. S.; Harvey, J. P.

    2016-12-01

    To find inner core compositions (X) consistent with geophysical data, we need phase relations of multicomponent metallic systems at high pressure (P) and temperature (T); the stable phase at a given (P,T,X) determines the physical properties. Given the difficulty of experiments under inner core conditions, reliable computations of such phase relations are needed. Despite advances in computational methods and computing power, challenges include proper treatment of solid solutions with their continuous variation in composition and ordering phenomena. We consider here how to predict phase diagrams from thermodynamic models of partly ordered solid solution phases calibrated with density functional theory to obtain static enthalpy (H) and volume (V), density functional perturbation theory and quasiharmonic approximation for vibrational heat capacity, and three approaches to solution theory to parameterize mixing properties. This approach is applied to B2 and HCP structures in the system Fe-FeSi for comparison to experimental data such as Fischer et al. (2013). We computed H and V of 7 compositions across the Fe-FeSi binary for both B2 and HCP structures, every 20 or 40 GPa from 0 to 400 GPa. We used supercells with up to 24 atoms to explore multiple configurations of the atoms. The H differences among clustered, random, and ordered arrangments of the atoms are neither so small as to imply random mixing nor so large that one configuration will dominate. We computed phonon density of states of at least three compositions for each structure in order to define vibrational heat capacity across each binary using ideal mixing and to test this approximation. We then used three different approaches to solid solution theory to fit the mixing properties: (1) Asymmetric regular solution theory, with (P,T)-dependent Margules parameters to describe the excess H but assuming ideal one-site entropy (S) of mixing; (2) the quasichemical model, accounting for optimized Fe-Si pair

  20. Performance evaluation of a vapor compression heat pump cycle using binary zeotropic refrigerant mixtures

    SciTech Connect

    Koyama, Shigeru; Yara, Tomoyasu

    1999-07-01

    The HCFC refrigerants such as R22 have been used widely as working fluids in refrigeration and air-conditioning systems until now. These refrigerants, however, should be phased out early in the next century to prevent the depletion of the ozone layer. In this situation, binary and/or ternary mixtures composed of HFC and/or natural refrigerants have attracted a great deal of attention due to the following possibilities: (1) to improve the coefficient of performance, COP, by utilizing the temperature glide during phase change processes; (2) to keep the system in more suitable condition for given temperature levels of heat source and heat sink by selecting the combination and composition of refrigerants, etc. From this point of view, in the present study, the performance prediction of a vapor compression heat pump cycle using binary zeotropic refrigerant mixtures is carried out to clarify the effects of the combination of refrigerants, the composition of refrigerants and the size of heat exchangers on COP. In the prediction calculation, a vapor compression heat pump cycle, which consists of a compressor, a vertical plate-fin condenser, an expansion valve, a liquid-vapor separator and a vertical plate-fin evaporator is treated, and the following assumptions are employed: (1) the compression process is isentropic, (2) the expansion process is isenthalpic, (3) the refrigerant is a saturated liquid at the condenser outlet and a superheated vapor at the evaporator outlet, (4) the pressure drop in the condenser is negligible, while that in the evaporator is considered, (5) the local heat transfer characteristics in heat exchangers are considered. The prediction calculation is done for the binary zeotropic refrigerant mixtures of HFC134a/HCFC123 on condition that the heat source water temperature at the condenser outlet, the heat sink water temperature at the evaporator inlet, the water temperature change through condenser and evaporator, the heat load of condenser, the

  1. Effect of Mixed Working Fluid Composition on Binary Cycle Condenser Heat Transfer Coefficients

    SciTech Connect

    Dan Wendt; Greg Mines

    2011-10-01

    Effect of Mixed Working Fluid Composition on Binary Cycle Condenser Heat Transfer Coefficients Dan Wendt, Greg Mines Idaho National Laboratory The use of mixed working fluids in binary power plants can provide significant increases in plant performance, provided the heat exchangers are designed to take advantage of these fluids non-isothermal phase changes. In the 1980's testing was conducted at DOE's Heat Cycle Research Facility (HCRF) where mixtures of different compositions were vaporized at supercritical pressures and then condensed. This testing had focused on using the data collected to verify that Heat Transfer Research Incorporated (HTRI) codes were suitable for the design of heat exchangers that could be used with mixtures. The HCRF data includes mixture compositions varying from 0% to 40% isopentane and condenser tube orientations of 15{sup o}, 60{sup o}, and 90{sup o} from horizontal. Testing was performed over a range of working fluid and cooling fluid conditions. Though the condenser used in this testing was water cooled, the working fluid condensation occurred on the tube-side of the heat exchanger. This tube-side condensation is analogous to that in an air-cooled condenser. Tube-side condensing heat transfer coefficient information gleaned from the HCRF testing is used in this study to assess the suitability of air-cooled condenser designs for use with mixtures. Results of an air-cooled binary plant process model performed with Aspen Plus indicate that that the optimal mixture composition (producing the maximum net power for the scenario considered) is within the range of compositions for which data exist. The HCRF data is used to assess the impact of composition, tube orientation, and process parameters on the condensing heat transfer coefficients. The sensitivity of the condensing coefficients to these factors is evaluated and the suitability of air-cooled condenser designs with mixtures is assessed. This paper summarizes the evaluation of the HCRF

  2. Uranyl(VI) nitrate salts: modeling thermodynamic properties using the binding mean spherical approximation theory and determination of "fictive" binary data.

    PubMed

    Ruas, Alexandre; Bernard, Olivier; Caniffi, Barbara; Simonin, Jean-Pierre; Turq, Pierre; Blum, Lesser; Moisy, Philippe

    2006-02-23

    This work is aimed at a description of the thermodynamic properties of highly concentrated aqueous solutions of uranyl nitrate at 25 degrees C. A new resolution of the binding mean spherical approximation (BIMSA) theory, taking into account 1-1 and also 1-2 complex formation, is developed and used to reproduce, from a simple procedure, experimental uranyl nitrate osmotic coefficient variation with concentration. For better consistency of the theory, binary uranyl perchlorate and chloride osmotic coefficients are also calculated. Comparison of calculated and experimental values is made. The possibility of regarding the ternary system UO(2)(NO(3))(2)/HNO(3)/H(2)O as a "simple" solution (in the sense of Zdanovskii, Stokes, and Robinson) is examined from water activity and density measurements. Also, an analysis of existing uranyl nitrate binary data is proposed and compared with our obtained data. On the basis of the concept of "simple" solution, values for density and water activity for the binary system UO(2)(NO(3))(2)/H(2)O are proposed in a concentration range on which uranyl nitrate precipitates from measurements on concentrated solutions of the ternary system UO(2)(NO(3))(2)/HNO(3)/H(2)O. This new set of binary data is "fictive" in the sense that the real binary system is not stable chemically. Finally, a new, interesting predictive capability of the BIMSA theory is shown.

  3. Comparative thermodynamic performance of some Rankine/Brayton cycle configurations for a low-temperature energy application

    NASA Technical Reports Server (NTRS)

    Lansing, F. L.

    1977-01-01

    Various configurations combining solar-Rankine and fuel-Brayton cycles were analyzed in order to find the arrangement which has the highest thermal efficiency and the smallest fuel share. A numerical example is given to evaluate both the thermodynamic performance and the economic feasibility of each configuration. The solar-assisted regenerative Rankine cycle was found to be leading the candidates from both points of energy utilization and fuel conservation.

  4. Volume changes of the molten globule transitions of horse heart ferricytochrome c: a thermodynamic cycle.

    PubMed Central

    Foygel, K.; Spector, S.; Chatterjee, S.; Kahn, P. C.

    1995-01-01

    Volume changes among the unfolded (U), native (N), and molten globule (MG) conformations of horse heart ferricytochrome c have been measured. U to N (pH 2 to pH 7) was determined in the absence of added salt to be -136 +/- 5 mL/mol protein. U to MG (pH 2, no added salt to pH 2, 0.5 M KCl) yielded + 100 +/- 6 mL/mol. MG to N was broken into two steps, N to NClx at pH 7 by addition of buffered KCl to buffered protein lacking added salt (NClx = N interacting with an unknown number, X, of chloride ions), and MG to NClx by jumping MG at pH 2 in 0.5 M KCl to pH7 at the same salt concentration. The delta V of N to NClx was -30.9 +/- 1.4 mL/mol protein, whereas MG to NClx entailed a delta V of -235 +/- 6 mL/mol. Within experimental error, the results add up to zero for a complete thermodynamic cycle. We believe this to be the first volumetric cycle to have been measured for the conformational transitions of a protein. The results are discussed in terms of hydration contributions from deprotonation of the protein, other hydration effects, and the formation and/or enlargement of packing defects in the protein's tertiary structure during the steps of folding. PMID:7670384

  5. Preliminary thermodynamic study for an efficient turbo-blower external combustion Rankine cycle

    NASA Astrophysics Data System (ADS)

    Romero Gómez, Manuel; Romero Gómez, Javier; Ferreiro Garcia, Ramón; Baaliña Insua, Álvaro

    2014-08-01

    This research paper presents a preliminary thermodynamic study of an innovative power plant operating under a Rankine cycle fed by an external combustion system with turbo-blower (TB). The power plant comprises an external combustion system for natural gas, where the combustion gases yield their thermal energy, through a heat exchanger, to a carbon dioxide Rankine cycle operating under supercritical conditions and with quasi-critical condensation. The TB exploits the energy from the pressurised exhaust gases for compressing the combustion air. The study is focused on the comparison of the combustion system's conventional technology with that of the proposed. An energy analysis is carried out and the effect of the flue gas pressure on the efficiency and on the heat transfer in the heat exchanger is studied. The coupling of the TB results in an increase in efficiency and of the convection coefficient of the flue gas with pressure, favouring a reduced volume of the heat exchanger. The proposed innovative system achieves increases in efficiency of around 12 % as well as a decrease in the heat exchanger volume of 3/5 compared with the conventional technology without TB.

  6. IDENTIFICATION AND EXPERIMENTAL DATABASE FOR BINARY AND MULTICOMPONENT MIXTURES WITH POTENTIAL FOR INCREASING OVERALL CYCLE EFFICIENCY

    SciTech Connect

    Stephen M Bajorek; J. Schnelle

    2002-05-01

    This report describes an experimental investigation designed to identify binary and multicomponent mixture systems that may be for increasing the overall efficiency of a coal fired unit by extracting heat from flue gases. While ammonia-water mixtures have shown promise for increasing cycle efficiencies in a Kalina cycle, the costs and associated range of thermal conditions involved in a heat recovery system may prohibit its use in a relatively low temperature heat recovery system. This investigation considered commercially available non-azeotropic binary mixtures with a boiling range applicable to a flue gas initially at 477.6 K (400 F) and developed an experimental database of boiling heat transfer coefficients for those mixtures. In addition to their potential as working fluids for increasing cycle efficiency, cost, ease of handling, toxicity, and environmental concerns were considered in selection of the mixture systems to be examined experimentally. Based on this review, water-glycol systems were identified as good candidates. However, previous investigations of mixture boiling have focused on aqueous hydrocarbon mixtures, where water is the heaviest component. There have been few studies of water-glycol systems, and those that do exist have investigated boiling on plain surfaces only. In water-glycol systems, water is the light component, which makes these systems unique compared to those that have been previously examined. This report examines several water-glycol systems, and documents a database of experimental heat transfer coefficients for these systems. In addition, this investigation also examines the effect of an enhanced surface on pool boiling in water-glycol mixtures, by comparing boiling on a smooth surface to boiling on a Turbo IIIB. The experimental apparatus, test sections, and the experimental procedures are described. The mixture systems tested included water-propylene glycol, water-ethylene glycol, and water-diethylene glycol. All

  7. Interim Report: Air-Cooled Condensers for Next Generation Geothermal Power Plants Improved Binary Cycle Performance

    SciTech Connect

    Daniel S. Wendt; Greg L. Mines

    2010-09-01

    As geothermal resources that are more expensive to develop are utilized for power generation, there will be increased incentive to use more efficient power plants. This is expected to be the case with Enhanced Geothermal System (EGS) resources. These resources will likely require wells drilled to depths greater than encountered with hydrothermal resources, and will have the added costs for stimulation to create the subsurface reservoir. It is postulated that plants generating power from these resources will likely utilize the binary cycle technology where heat is rejected sensibly to the ambient. The consumptive use of a portion of the produced geothermal fluid for evaporative heat rejection in the conventional flash-steam conversion cycle is likely to preclude its use with EGS resources. This will be especially true in those areas where there is a high demand for finite supplies of water. Though they have no consumptive use of water, using air-cooling systems for heat rejection has disadvantages. These systems have higher capital costs, reduced power output (heat is rejected at the higher dry-bulb temperature), increased parasitics (fan power), and greater variability in power generation on both a diurnal and annual basis (larger variation in the dry-bulb temperature). This is an interim report for the task ‘Air-Cooled Condensers in Next- Generation Conversion Systems’. The work performed was specifically aimed at a plant that uses commercially available binary cycle technologies with an EGS resource. Concepts were evaluated that have the potential to increase performance, lower cost, or mitigate the adverse effects of off-design operation. The impact on both cost and performance were determined for the concepts considered, and the scenarios identified where a particular concept is best suited. Most, but not all, of the concepts evaluated are associated with the rejection of heat. This report specifically addresses three of the concepts evaluated: the use of

  8. Binary Phase Diagrams and Thermodynamic Properties of Silicon and Essential Doping Elements (Al, As, B, Bi, Ga, In, N, P, Sb and Tl).

    PubMed

    Mostafa, Ahmad; Medraj, Mamoun

    2017-06-20

    Fabrication of solar and electronic silicon wafers involves direct contact between solid, liquid and gas phases at near equilibrium conditions. Understanding of the phase diagrams and thermochemical properties of the Si-dopant binary systems is essential for providing processing conditions and for understanding the phase formation and transformation. In this work, ten Si-based binary phase diagrams, including Si with group IIIA elements (Al, B, Ga, In and Tl) and with group VA elements (As, Bi, N, P and Sb), have been reviewed. Each of these systems has been critically discussed on both aspects of phase diagram and thermodynamic properties. The available experimental data and thermodynamic parameters in the literature have been summarized and assessed thoroughly to provide consistent understanding of each system. Some systems were re-calculated to obtain a combination of the best evaluated phase diagram and a set of optimized thermodynamic parameters. As doping levels of solar and electronic silicon are of high technological importance, diffusion data has been presented to serve as a useful reference on the properties, behavior and quantities of metal impurities in silicon. This paper is meant to bridge the theoretical understanding of phase diagrams with the research and development of solar-grade silicon production, relying on the available information in the literature and our own analysis.

  9. Binary Phase Diagrams and Thermodynamic Properties of Silicon and Essential Doping Elements (Al, As, B, Bi, Ga, In, N, P, Sb and Tl)

    PubMed Central

    Mostafa, Ahmad; Medraj, Mamoun

    2017-01-01

    Fabrication of solar and electronic silicon wafers involves direct contact between solid, liquid and gas phases at near equilibrium conditions. Understanding of the phase diagrams and thermochemical properties of the Si-dopant binary systems is essential for providing processing conditions and for understanding the phase formation and transformation. In this work, ten Si-based binary phase diagrams, including Si with group IIIA elements (Al, B, Ga, In and Tl) and with group VA elements (As, Bi, N, P and Sb), have been reviewed. Each of these systems has been critically discussed on both aspects of phase diagram and thermodynamic properties. The available experimental data and thermodynamic parameters in the literature have been summarized and assessed thoroughly to provide consistent understanding of each system. Some systems were re-calculated to obtain a combination of the best evaluated phase diagram and a set of optimized thermodynamic parameters. As doping levels of solar and electronic silicon are of high technological importance, diffusion data has been presented to serve as a useful reference on the properties, behavior and quantities of metal impurities in silicon. This paper is meant to bridge the theoretical understanding of phase diagrams with the research and development of solar-grade silicon production, relying on the available information in the literature and our own analysis. PMID:28773034

  10. Thermodynamic study of binary mixtures of 1-butyl-1-methylpyrrolidinium dicyanamide ionic liquid with molecular solvents: new experimental data and modeling with PC-SAFT equation of state.

    PubMed

    Paduszyński, Kamil; Lukoshko, Elena Vadimovna; Królikowski, Marek; Domańska, Urszula; Szydłowski, Jerzy

    2015-01-15

    This work is concerned with thermodynamic properties of binary mixtures composed of 1-butyl-1-methylpyrrolidinium dicyanamide ionic liquid (IL) and the following molecular solvents: n-heptane, benzene, toluene, ethylbenzene, thiophene, 1-butanol, 1-hexanol, and 1-octanol. This is the very first time when experimental data on liquid-liquid equilibrium (LLE) phase diagrams and excess enthalpies of mixing (H(E)) for these systems are reported. An impact of the molecular solvent structure on LLE and H(E) is discussed. Furthermore, modeling of the properties under study is presented by using perturbed-chain statistical associating fluid theory (PC-SAFT). The equation of state is used in purely predictive and semipredictive mode. The latter one involves temperature-dependent binary corrections to combining rules employed in the PC-SAFT model determined on the basis of infinite dilution activity coefficients. The results shown indicate that such an approach can serve as an interesting modern thermodynamic tool for representation of thermodynamic data for complex ILs-based systems.

  11. Thermodynamic Evaluation of Reaction Abilities of Structural Units in Fe-O Binary Melts Based on the Atom-Molecule Coexistence Theory

    NASA Astrophysics Data System (ADS)

    Yang, Xue-min; Li, Jin-yan; Wei, Meng-fang; Zhang, Jian

    2016-02-01

    A thermodynamic model for calculating the mass action concentrations Ni of structural units in Fe-O binary melts based on the atom-molecule coexistence theory, i.e., AMCT- Ni model, has been developed and verified to be valid through comparing with the calculated activities a_{R,i} of both O and Fe over a temperature range from 1833 K to 1973 K (1560 °C to 1700 °C). Moreover, activity coefficients γ_{O} or f_{{%,O} or f_{H,O} of O coupled with activity a_{R,O} or a_{%, O} or a_{H,O} of O and the corresponding first-order activity interaction coefficient \\varepsilon_{O}^{O} or e_{O}^{O} or h_{O}^{O} of O to O have also been determined by the developed AMCT- Ni model and verified to be credible. In addition, the molar mixing thermodynamic properties of Fe-O binary melts have been determined to be accurate. Values of the calculated mass action concentration N_{Fe} of free Fe are in good agreement with results of the calculated activity a_{R,Fe} of Fe relative to pure liquid Fe(l) as standard state in Fe-O binary melts. The calculated mass action concentration N_{O} of free O has a closely corresponding relationship with the calculated activity a_{R,O} of O relative to ideal O2 at 101,325 Pa as standard state in Fe-O binary melts. However, values of the calculated mass action concentration N_{O} of free O are much greater than results of the calculated activity a_{R,O} of O in Fe-O binary melts. The converted mass action concentration N_{O}^' of total O relative to ideal O2 at 101,325 Pa as standard state can be obtained through transferring standard state of the calculated mass action concentration N_{O} of free O. The converted mass action concentration N_{O}^' of total O or the converted activity a_{{R,O}^{AMCT} of O can well be matched with the calculated activity a_{R,O} of O in Fe-O binary melts. Although the obtained expression of first-order activity interaction coefficient \\varepsilon_{O}^{O} or e_{O}^{O} or h_{O}^{O} by the developed AMCT- Ni model for

  12. Comparison of Optimal Thermodynamic Models of the Tricarboxylic Acid Cycle from Heterotrophs, Cyanobacteria, and Green Sulfur Bacteria.

    PubMed

    Thomas, Dennis G; Jaramillo-Riveri, Sebastian; Baxter, Douglas J; Cannon, William R

    2014-12-26

    We have applied a new stochastic simulation approach to predict the metabolite levels, material flux, and thermodynamic profiles of the oxidative TCA cycles found in E. coli and Synechococcus sp. PCC 7002, and in the reductive TCA cycle typical of chemolithoautotrophs and phototrophic green sulfur bacteria such as Chlorobaculum tepidum. The simulation approach is based on modeling states using statistical thermodynamics and employs an assumption similar to that used in transition state theory. The ability to evaluate the thermodynamics of metabolic pathways allows one to understand the relationship between coupling of energy and material gradients in the environment and the self-organization of stable biological systems, and it is shown that each cycle operates in the direction expected due to its environmental niche. The simulations predict changes in metabolite levels and flux in response to changes in cofactor concentrations that would be hard to predict without an elaborate model based on the law of mass action. In fact, we show that a thermodynamically unfavorable reaction can still have flux in the forward direction when it is part of a reaction network. The ability to predict metabolite levels, energy flow, and material flux should be significant for understanding the dynamics of natural systems and for understanding principles for engineering organisms for production of specialty chemicals.

  13. A First-Law Thermodynamic Analysis of the Corn-Ethanol Cycle

    SciTech Connect

    Patzek, Tad W.

    2006-12-15

    This paper analyzes energy efficiency of the industrial corn-ethanol cycle. In particular, it critically evaluates earlier publications by DOE, USDA, and UC Berkeley Energy Resources Group. It is demonstrated that most of the current First Law net-energy models of the industrial corn-ethanol cycle are based on nonphysical assumptions and should be viewed with caution. In particular, these models do not (i) define the system boundaries, (ii) conserve mass, and (iii) conserve energy. The energy cost of producing and refining carbon fuels in real time, for example, corn and ethanol, is high relative to that of fossil fuels deposited and concentrated over geological time. Proper mass and energy balances of corn fields and ethanol refineries that account for the photosynthetic energy, part of the environment restoration work, and the coproduct energy have been formulated. These balances show that energetically production of ethanol from corn is 2-4 times less favorable than production of gasoline from petroleum. From thermodynamics it also follows that ecological damage wrought by industrial biofuel production must be severe. With the DDGS coproduct energy credit, 3.9 gallons of ethanol displace on average the energy in 1 gallon of gasoline. Without the DDGS energy credit, this average number is 6.2 gallons of ethanol. Equivalent CO{sub 2} emissions from corn ethanol are some 50% higher than those from gasoline, and become 100% higher if methane emissions from cows fed with DDGS are accounted for. From the mass balance of soil it follows that ethanol coproducts should be returned to the fields.

  14. Thermodynamic Analysis of a Rankine Cycle Powered Vapor Compression Ice Maker Using Solar Energy

    PubMed Central

    Hu, Bing; Bu, Xianbiao; Ma, Weibin

    2014-01-01

    To develop the organic Rankine-vapor compression ice maker driven by solar energy, a thermodynamic model was developed and the effects of generation temperature, condensation temperature, and working fluid types on the system performance were analyzed. The results show that the cooling power per square meter collector and ice production per square meter collector per day depend largely on generation temperature and condensation temperature and they increase firstly and then decrease with increasing generation temperature. For every working fluid there is an optimal generation temperature at which organic Rankine efficiency achieves the maximum value. The cooling power per square meter collector and ice production per square meter collector per day are, respectively, 126.44 W m−2 and 7.61 kg m−2 day−1 at the generation temperature of 140°C for working fluid of R245fa, which demonstrates the feasibility of organic Rankine cycle powered vapor compression ice maker. PMID:25202735

  15. Thermodynamic Analysis of Isothermal Redox Cycling of Ceria for Solar Fuel Production

    SciTech Connect

    Bader, R; Venstrom, LJ; Davidson, JH; Lipinski, W

    2013-09-01

    A thermodynamic analysis of continuous fuel production by redox cycling of ceria in a single solar reactor under isothermal conditions is presented. Ceria is partially reduced in a sweep gas flow of purified nitrogen and reoxidized with either steam or carbon dioxide to produce hydrogen or carbon monoxide, respectively. The sweep gas and oxidizer flows are preheated by the product gases. The influence of selected process parameters, including operating temperature, pressure, and the effectiveness of heat recovery, on the solar-to-fuel conversion efficiency is determined. For a solar concentration ratio of 3000, typical of state-of-the-art solar dish concentrators, and operating temperature of 1773 K, 95.5% of the available gas-phase heat must be recovered to reach conversion efficiencies of 10% and 18% for hydrogen and carbon monoxide production, respectively, assuming the flow rate of inert sweep gas is equivalent to that in a counter-current flow arrangement of gas and ceria. The efficiency depends strongly on the gas-phase heat recovery effectiveness and the sweep gas flow rate. Introducing a temperature swing of 150 K between reduction and oxidation steps strongly reduces the sweep gas flow rate and increases the efficiency from 10% to 31.6% for hydrogen production.

  16. High-potential Working Fluids for Next Generation Binary Cycle Geothermal Power Plants

    SciTech Connect

    Zia, Jalal; Sevincer, Edip; Chen, Huijuan; Hardy, Ajilli; Wickersham, Paul; Kalra, Chiranjeev; Laursen, Anna Lis; Vandeputte, Thomas

    2013-06-29

    A thermo-economic model has been built and validated for prediction of project economics of Enhanced Geothermal Projects. The thermo-economic model calculates and iteratively optimizes the LCOE (levelized cost of electricity) for a prospective EGS (Enhanced Geothermal) site. It takes into account the local subsurface temperature gradient, the cost of drilling and reservoir creation, stimulation and power plant configuration. It calculates and optimizes the power plant configuration vs. well depth. Thus outputs from the model include optimal well depth and power plant configuration for the lowest LCOE. The main focus of this final report was to experimentally validate the thermodynamic properties that formed the basis of the thermo-economic model built in Phase 2, and thus build confidence that the predictions of the model could be used reliably for process downselection and preliminary design at a given set of geothermal (and/or waste heat) boundary conditions. The fluid and cycle downselected was based on a new proprietary fluid from a vendor in a supercritical ORC cycle at a resource condition of 200°C inlet temperature. The team devised and executed a series of experiments to prove the suitability of the new fluid in realistic ORC cycle conditions. Furthermore, the team performed a preliminary design study for a MW-scale turbo expander that would be used for a supercritical ORC cycle with this new fluid. The following summarizes the main findings in the investigative campaign that was undertaken: 1. Chemical compatibility of the new fluid with common seal/gasket/Oring materials was found to be problematic. Neoprene, Viton, and silicone materials were found to be incompatible, suffering chemical decomposition, swelling and/or compression set issues. Of the materials tested, only TEFLON was found to be compatible under actual ORC temperature and pressure conditions. 2. Thermal stability of the new fluid at 200°C and 40 bar was found to be acceptable after 399

  17. Thermodynamic and design considerations of organic Rankine cycles in combined application with a solar thermal gas turbine

    NASA Astrophysics Data System (ADS)

    Braun, R.; Kusterer, K.; Sugimoto, T.; Tanimura, K.; Bohn, D.

    2013-12-01

    Concentrated Solar Power (CSP) technologies are considered to provide a significant contribution for the electric power production in the future. Different kinds of technologies are presently in operation or under development, e.g. parabolic troughs, central receivers, solar dish systems and Fresnel reflectors. This paper takes the focus on central receiver technologies, where the solar radiation is concentrated by a field of heliostats in a receiver on the top of a tall tower. To get this CSP technology ready for the future, the system costs have to reduce significantly. The main cost driver in such kind of CSP technologies are the huge amount of heliostats. To reduce the amount of heliostats, and so the investment costs, the efficiency of the energy conversion cycle becomes an important issue. An increase in the cycle efficiency results in a decrease of the solar heliostat field and thus, in a significant cost reduction. The paper presents the results of a thermodynamic model of an Organic Rankine Cycle (ORC) for combined cycle application together with a solar thermal gas turbine. The gas turbine cycle is modeled with an additional intercooler and recuperator and is based on a typical industrial gas turbine in the 2 MW class. The gas turbine has a two stage radial compressor and a three stage axial turbine. The compressed air is preheated within a solar receiver to 950°C before entering the combustor. A hybrid operation of the gas turbine is considered. In order to achieve a further increase of the overall efficiency, the combined operation of the gas turbine and an Organic Rankine Cycle is considered. Therefore an ORC has been set up, which is thermally connected to the gas turbine cycle at two positions. The ORC can be coupled to the solar-thermal gas turbine cycle at the intercooler and after the recuperator. Thus, waste heat from different cycle positions can be transferred to the ORC for additional production of electricity. Within this investigation

  18. Thermodynamic study of binary system Propafenone Hydrocloride with Metoprolol Tartrate: solid-liquid equilibrium and compatibility with α-lactose monohydrate and corn starch.

    PubMed

    Marinescu, Daniela-Crina; Pincu, Elena; Meltzer, Viorica

    2013-05-20

    Solid-liquid equilibrium (SLE) for binary mixture of Propafenone Hydrocloride (PP) with Metoprolol Tartrate (MT) was investigated using differential scanning calorimetry (DSC) and corresponding activity coefficients were calculated. Simple eutectic behavior for this system was observed. The excess thermodynamic functions: G(E) and S(E) for the pre-, post-, and eutectic composition have been obtained using the computed activity coefficients data of the eutectic phase with their excess chemical potentials μi(E) (i=1, 2). The experimental solid-liquid phase temperatures were compared with predictions obtained from available eutectic equilibrium models. The results indicate non-ideality in this mixture. Also, the compatibility of each component and their eutectic mixture with usual excipients was investigated, and the DSC experiments indicate possible weak interactions with α-lactose monohydrate and compatibility with corn starch. The results obtained were confirmed by FT-IR measurements. Copyright © 2013 Elsevier B.V. All rights reserved.

  19. Comparison of Optimal Thermodynamic Models of the Tricarboxylic Acid Cycle from Heterotrophs, Cyanobacteria, and Green Sulfur Bacteria

    SciTech Connect

    Thomas, Dennis G.; Jaramillo Riveri, Sebastian I.; Baxter, Douglas J.; Cannon, William R.

    2014-12-15

    We have applied a new stochastic simulation approach to predict the metabolite levels, energy flow, and material flux in the different oxidative TCA cycles found in E. coli and Synechococcus sp. PCC 7002, and in the reductive TCA cycle typical of chemolithoautotrophs and phototrophic green sulfur bacteria such as Chlorobaculum tepidum. The simulation approach is based on equations of state and employs an assumption similar to that used in transition state theory. The ability to evaluate the thermodynamics of metabolic pathways allows one to understand the relationship between coupling of energy and material gradients in the environment and the selforganization of stable biological systems, and it is shown that each cycle operates in the direction expected due to its environmental niche. The simulations predict changes in metabolite levels and flux in response to changes in cofactor concentrations that would be hard to predict without an elaborate model based on the law of mass action. In fact, we show that a thermodynamically unfavorable reaction can still have flux in the forward direction when it is part of a reaction network. The ability to predict metabolite levels, energy flow and material flux should be significant for understanding the dynamics of natural systems and for understanding principles for engineering organisms for production of specialty chemicals, such as biofuels.

  20. Thermodynamic efficiency analysis and cycle optimization of deeply precooled combined cycle engine in the air-breathing mode

    NASA Astrophysics Data System (ADS)

    Zhang, Jianqiang; Wang, Zhenguo; Li, Qinglian

    2017-09-01

    The efficiency calculation and cycle optimization were carried out for the Synergistic Air-Breathing Rocket Engine (SABRE) with deeply precooled combined cycle. A component-level model was developed for the engine, and exergy efficiency analysis based on the model was carried out. The methods to improve cycle efficiency have been proposed. The results indicate cycle efficiency of SABRE is between 29.7% and 41.7% along the flight trajectory, and most of the wasted exergy is occupied by the unburned hydrogen in exit gas. Exergy loss exists in each engine component, and the sum losses of main combustion chamber(CC), pre-burner(PB), precooler(PC) and 3# heat exchanger(HX3) are greater than 71.3% of the total loss. Equivalence ratio is the main influencing factor of cycle, and it can be regulated by adjusting parameters of helium loop. Increase the maximum helium outlet temperature of PC by 50 K, the total assumption of hydrogen will be saved by 4.8%, and the cycle efficiency is advanced by 3% averagely in the trajectory. Helium recirculation scheme introduces a helium recirculation loop to increase local helium flow rate of PC. It turns out the total assumption of hydrogen will be saved by 9%, that's about 1740 kg, and the cycle efficiency is advanced by 5.6% averagely.

  1. Binary Switching of Calendar Cells in the Pituitary Defines the Phase of the Circannual Cycle in Mammals

    PubMed Central

    Wood, Shona H.; Christian, Helen C.; Miedzinska, Katarzyna; Saer, Ben R.C.; Johnson, Mark; Paton, Bob; Yu, Le; McNeilly, Judith; Davis, Julian R.E.; McNeilly, Alan S.; Burt, David W.; Loudon, Andrew S.I.

    2015-01-01

    Summary Persistent free-running circannual (approximately year-long) rhythms have evolved in animals to regulate hormone cycles, drive metabolic rhythms (including hibernation), and time annual reproduction. Recent studies have defined the photoperiodic input to this rhythm, wherein melatonin acts on thyrotroph cells of the pituitary pars tuberalis (PT), leading to seasonal changes in the control of thyroid hormone metabolism in the hypothalamus. However, seasonal rhythms persist in constant conditions in many species in the absence of a changing photoperiod signal, leading to the generation of circannual cycles. It is not known which cells, tissues, and pathways generate these remarkable long-term rhythmic processes. We show that individual PT thyrotrophs can be in one of two binary states reflecting either a long (EYA3+) or short (CHGA+) photoperiod, with the relative proportion in each state defining the phase of the circannual cycle. We also show that a morphogenic cycle driven by the PT leads to extensive re-modeling of the PT and hypothalamus over the circannual cycle. We propose that the PT may employ a recapitulated developmental pathway to drive changes in morphology of tissues and cells. Our data are consistent with the hypothesis that the circannual timer may reside within the PT thyrotroph and is encoded by a binary switch timing mechanism, which may regulate the generation of circannual neuroendocrine rhythms, leading to dynamic re-modeling of the hypothalamic interface. In summary, the PT-ventral hypothalamus now appears to be a prime structure involved in long-term rhythm generation. PMID:26412130

  2. A thermodynamic study of complexation process between N, N'-dipyridoxylidene(1,4-butanediamine) and Cd2+ in some binary mixed solvents using conductometry

    NASA Astrophysics Data System (ADS)

    Ebrahimpoor, Sonia; Khoshnood, Razieh Sanavi; Beyramabadi, S. Ali

    2016-12-01

    Complexation of the Cd2+ ion with N, N'-dipyridoxylidene(1,4-butanediamine) Schiff base was studied in pure solvents including acetonitrile (AN), ethanol (EtOH), methanol (MeOH), tetrahydrofuran (THF), dimethylformamide (DMF), water (H2O), and various binary solvent mixtures of acetonitrile-ethanol (AN-EtOH), acetonitrile-methanol (AN-MeOH), acetonitrile-tetrahydrofuran (AN-THF), acetonitrile-dimethylformamide (AN-DMF), and acetonitrile-water (AN-H2O) systems at different temperatures using the conductometric method. The conductance data show that the stoichiometry of complex is 1: 1 [ML] in all solvent systems. A non-linear behavior was observed for changes of log K f of [Cd( N, N'-dipyridoxylidene(1,4-butanediamine)] complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent interactions. The results show that the thermodynamics of complexation reaction is affected by the nature and composition of the mixed solvents.

  3. Thermodynamic description and unidirectional solidification of eutectic organic alloys: III. Binary systems neopentylglycol-(D)camphor and amino-methyl-propanediol-(D)camphor

    SciTech Connect

    Witusiewicz, V.T. . E-mail: victor@access.rwth-aachen.de; Sturz, L.; Hecht, U.; Rex, S.

    2004-11-08

    The temperature and enthalpy of transformation of organic alloys from the binary systems neopentylglycol-(D)camphor (NPG-DC) and 2-amino-2-methyl-1,3-propanediol-(D)camphor (AMPD-DC) were measured by means of differential scanning calorimetry (DSC). The phase diagrams of these binary systems were assessed via the CALPHAD approach using Thermo-Calc by simultaneously optimizing the thermodynamic and phase equilibrium data measured in the present work. Proper agreements between the experimental and calculated data for the phase diagrams as well as for the thermochemical properties were achieved. Experiments and calculations show that both the NPG-DC and the AMPD-DC system exhibit a nonvariant eutectic reaction with the eutectic point at 36.2 mol% DC and 326.0 K and at 9.3 mol% DC and 362.0 K, respectively. In each system the temperature of the eutectic reaction is higher than the temperature of the transformation from the ordered crystals to the orientationally disordered (plastic) crystals. Unidirectional solidification experiments were performed with several alloys in order to verify the nature of eutectic growth: We find that in both systems eutectic growth occurs with both solid phases being non-facetted and with a lamellar or rod-like eutectic structure. Due to the optical activity of DC its distribution in the solid samples is well detectible in polarised light.

  4. Optimization of the thermodynamic cycles of a collective heating power station

    NASA Astrophysics Data System (ADS)

    Hausmann, G.

    The optimization of the centralized heating system of a city was studied. Modifications of the heating circuit increase the electric power characteristic from 0.20 to 0.37. A program for the calculation of the changes in the thermodynamic cyclic due to these modifications is presented.

  5. Molecular simulation of fluids with non-identical intermolecular potentials: Thermodynamic properties of 10-5 + 12-6 Mie potential binary mixtures

    NASA Astrophysics Data System (ADS)

    Stiegler, Thomas; Sadus, Richard J.

    2015-02-01

    General methods for combining interactions between particles characterised by non-identical intermolecular potentials are investigated. The combination methods are tested by performing molecular dynamics simulations to determine the pressure, energy, isochoric and isobaric heat capacities, thermal expansion coefficient, isothermal compressibility, Joule-Thomson coefficient, and speed of sound of 10-5 + 12-6 Mie potential binary mixtures. In addition to the two non-identical Mie potentials, mixtures are also studied with non-identical intermolecular parameters. The combination methods are compared with results obtained by simply averaging the Mie exponents. When either the energy or size parameters are non-identical, very significant differences emerge in the thermodynamic properties predicted by the alternative combination methods. The isobaric heat capacity is the thermodynamic property that is most affected by the relative magnitude of the intermolecular potential parameters and the method for combining non-identical potentials. Either the arithmetic or geometric combination of potentials provides a simple and effective way of performing simulations involving mixtures of components characterised by non-identical intermolecular potentials, which is independent of their functional form.

  6. Molecular simulation of fluids with non-identical intermolecular potentials: thermodynamic properties of 10-5 + 12-6 Mie potential binary mixtures.

    PubMed

    Stiegler, Thomas; Sadus, Richard J

    2015-02-28

    General methods for combining interactions between particles characterised by non-identical intermolecular potentials are investigated. The combination methods are tested by performing molecular dynamics simulations to determine the pressure, energy, isochoric and isobaric heat capacities, thermal expansion coefficient, isothermal compressibility, Joule-Thomson coefficient, and speed of sound of 10-5 + 12-6 Mie potential binary mixtures. In addition to the two non-identical Mie potentials, mixtures are also studied with non-identical intermolecular parameters. The combination methods are compared with results obtained by simply averaging the Mie exponents. When either the energy or size parameters are non-identical, very significant differences emerge in the thermodynamic properties predicted by the alternative combination methods. The isobaric heat capacity is the thermodynamic property that is most affected by the relative magnitude of the intermolecular potential parameters and the method for combining non-identical potentials. Either the arithmetic or geometric combination of potentials provides a simple and effective way of performing simulations involving mixtures of components characterised by non-identical intermolecular potentials, which is independent of their functional form.

  7. Molecular simulation of fluids with non-identical intermolecular potentials: Thermodynamic properties of 10-5 + 12-6 Mie potential binary mixtures

    SciTech Connect

    Stiegler, Thomas; Sadus, Richard J.

    2015-02-28

    General methods for combining interactions between particles characterised by non-identical intermolecular potentials are investigated. The combination methods are tested by performing molecular dynamics simulations to determine the pressure, energy, isochoric and isobaric heat capacities, thermal expansion coefficient, isothermal compressibility, Joule-Thomson coefficient, and speed of sound of 10-5 + 12-6 Mie potential binary mixtures. In addition to the two non-identical Mie potentials, mixtures are also studied with non-identical intermolecular parameters. The combination methods are compared with results obtained by simply averaging the Mie exponents. When either the energy or size parameters are non-identical, very significant differences emerge in the thermodynamic properties predicted by the alternative combination methods. The isobaric heat capacity is the thermodynamic property that is most affected by the relative magnitude of the intermolecular potential parameters and the method for combining non-identical potentials. Either the arithmetic or geometric combination of potentials provides a simple and effective way of performing simulations involving mixtures of components characterised by non-identical intermolecular potentials, which is independent of their functional form.

  8. An Introduction to Thermodynamic Performance Analysis of Aircraft Gas Turbine Engine Cycles Using the Numerical Propulsion System Simulation Code

    NASA Technical Reports Server (NTRS)

    Jones, Scott M.

    2007-01-01

    This document is intended as an introduction to the analysis of gas turbine engine cycles using the Numerical Propulsion System Simulation (NPSS) code. It is assumed that the analyst has a firm understanding of fluid flow, gas dynamics, thermodynamics, and turbomachinery theory. The purpose of this paper is to provide for the novice the information necessary to begin cycle analysis using NPSS. This paper and the annotated example serve as a starting point and by no means cover the entire range of information and experience necessary for engine performance simulation. NPSS syntax is presented but for a more detailed explanation of the code the user is referred to the NPSS User Guide and Reference document (ref. 1).

  9. Thermodynamic metrics for aggregation of natural resources in life cycle analysis: insight via application to some transportation fuels.

    PubMed

    Baral, Anil; Bakshi, Bhavik R

    2010-01-15

    While methods for aggregating emissions are widely used and standardized in life cycle assessment (LCA), there is little agreement about methods for aggregating natural resources for obtaining interpretable metrics. Thermodynamic methods have been suggested including energy, exergy, and emergy analyses. This work provides insight into the nature of thermodynamic aggregation, including assumptions about substitutability between resources and loss of detailed information about the data being combined. Methods considered include calorific value or energy, industrial cumulative exergy consumption (ICEC) and its variations, and ecological cumulative exergy consumption (ECEC) or emergy. A hierarchy of metrics is proposed that spans the range from detailed data to aggregate metrics. At the fine scale, detailed data can help identify resources to whose depletion the selected product is most vulnerable. At the coarse scale, new insight is provided about thermodynamic aggregation methods. Among these, energy analysis is appropriate only for products that rely primarily on fossil fuels, and it cannot provide a useful indication of renewability. Exergy-based methods can provide results similar to energy analysis by including only nonrenewable fuels but can also account for materials use and provide a renewability index. However, ICEC and its variations do not address substitutability between resources, causing its results to be dominated by dilute and low-quality resources such as sunlight. The use of monetary values to account for substitutability does not consider many ecological resources and may not be appropriate for the analysis of emerging products. ECEC or emergy explicitly considers substitutability and resource quality and provides more intuitive results but is plagued by data gaps and uncertainties. This insight is illustrated via application to the life cycles of gasoline, diesel, corn ethanol, and soybean biodiesel. Here, aggregate metrics reveal the dilemma

  10. Thermodynamics of Gas Turbine Cycles with Analytic Derivatives in OpenMDAO

    NASA Technical Reports Server (NTRS)

    Gray, Justin; Chin, Jeffrey; Hearn, Tristan; Hendricks, Eric; Lavelle, Thomas; Martins, Joaquim R. R. A.

    2016-01-01

    A new equilibrium thermodynamics analysis tool was built based on the CEA method using the OpenMDAO framework. The new tool provides forward and adjoint analytic derivatives for use with gradient based optimization algorithms. The new tool was validated against the original CEA code to ensure an accurate analysis and the analytic derivatives were validated against finite-difference approximations. Performance comparisons between analytic and finite difference methods showed a significant speed advantage for the analytic methods. To further test the new analysis tool, a sample optimization was performed to find the optimal air-fuel equivalence ratio, , maximizing combustion temperature for a range of different pressures. Collectively, the results demonstrate the viability of the new tool to serve as the thermodynamic backbone for future work on a full propulsion modeling tool.

  11. Kozai Cycles, Tidal Friction, and the Dynamical Evolution of Binary Minor Planets

    NASA Astrophysics Data System (ADS)

    Perets, Hagai B.; Naoz, Smadar

    2009-07-01

    In recent years, many binary minor planets (BMPs) have been discovered in the solar system. Many models have been suggested for their formation, but these encounter difficulties explaining their observed characteristics. Here, we show that secular perturbations by the Sun (Kozai mechanism) fundamentally change the evolution and the initial distribution of BMPs predicted by such models and lead to unique observational signatures. The Kozai mechanism can lead to a large periodic oscillations in the eccentricity and inclination of highly inclined BMP orbits, where we predict such effects to be observable with current accuracy within a few years (e.g., for the binary asteroid Huenna). In addition, the combined effects of the Kozai mechanism and tidal friction (KCTF) drives BMPs into short-period circular orbits. We predict a specific inclination-dependent distribution of the separation and eccentricity of BMPs, due to these effects, including a zone of avoidance at the highest inclinations. Specifically, the Kozai evolution could explain the recently observed peculiar orbit of the Kuiper Belt binary 2001 QW322. Additionally, the KCTF process could lead to BMPs coalescence and serve as an important route for the formation of irregular shaped single minor planets with large axial tilts.

  12. The excess thermodynamic functions of three-component Lennard-Jones systems based on binary distribution functions

    NASA Astrophysics Data System (ADS)

    Tarzimanov, A. A.; Klinov, A. V.; Malygin, A. V.; Nurgalieva, A. A.

    2008-08-01

    Integral equation theory was used to study the binary distribution functions of the excess properties of three-component Lennard-Jones mixtures. The results obtained for the behavior of the excess functions of caloric properties (internal energy, enthalpy, and isochoric heat capacity) are reported. The influence of the third component with various potential parameters on excess functions was studied. Calculations were performed for systems under super-and subcritical conditions with different sizes of molecules, σ1/σ2 = 1 4, and attraction energies between them, ɛ1/ɛ2 = 1 4. The results were compared with numerical experiment data to find that the approach used was fairly accurate

  13. Thermodynamic performance of a hybrid air cycle refrigeration system using a desiccant rotor

    NASA Astrophysics Data System (ADS)

    Hwang, Kyudae; Song, Chan Ho; Kim, Sung Ki; Saito, Kiyoshi; Kawai, Sunao

    2013-03-01

    Due to the concern on global warming, the demand for a system using natural refrigerant is increasing and many researches have been devoted to develop systems with natural refrigerants. Among natural refrigerant systems, an air cycle system has emerged as one of alternatives of Freon gas system due to environmentally friendly feature in spite of the inherent low efficiency. To overcome the technical barrier, this study proposed combination of multiple systems as a hybrid cycle to achieve higher efficiency of an air cycle system. The hybrid air cycle adopts a humidity control units such as an adsorber and a desorber to obtain the cooling effect from latent heat as well as sensible heat. To investigate the efficacy of the hybrid air cycle, the cooling performance of a hybrid air cycle is investigated analytically and experimentally. From the simulation result, it is found that COP of the hybrid air cycle is two times higher than that of the conventional air cycle. The experiments are conducted on the performance of the desiccant system according to the rotation speed in the system and displayed the feasibility of the key element in the hybrid air cycle system. From the results, it is shown that the system efficiency can be enhanced by utilization of the exhausted heat through the ambient heat exchanger with advantage of controlling the humidity by the desiccant rotor.

  14. Thermodynamics of the Zr-H binary system related to nuclear fuel sheathing and pressure tube hydriding

    NASA Astrophysics Data System (ADS)

    Zhong, Yu; Macdonald, Digby D.

    2012-04-01

    The thermodynamic database of the Zr-H system was updated using Density Functional Theory (DFT). In the present work, the first-principles calculations were performed using VASP (Vienna ab initio Simulation Package), which is based on pseudo-potentials and a plane wave basis set. The enthalpies of formation of ɛ-ZrH2, δ-ZrH2-x, and γ-ZrH were calculated at 0 K and it is shown that the formation of all three hydrides is spontaneous, under predicted PWR and CANDU reactor core electrochemical conditions.

  15. Comment on "Similarity between quantum mechanics and thermodynamics: Entropy, temperature, and Carnot cycle"

    NASA Astrophysics Data System (ADS)

    González-Díaz, L. A.; Díaz-Solórzano, S.

    2015-05-01

    In the paper by Abe and Okuyama [Phys. Rev. E 83, 021121 (2011), 10.1103/PhysRevE.83.021121], the quantum Carnot cycle of a simple two-state model of a particle confined in a one-dimensional infinite potential well is discussed. It is claimed that the state at the beginning of the quantum Carnot cycle is pure. After that, it is apparently transmuted to a mixed state if Clausius equality is imposed. We prove that this statement is incorrect. In particular, we prove that the state at the beginning of the cycle is mixed due to the process of measuring energy.

  16. Comment on "Similarity between quantum mechanics and thermodynamics: Entropy, temperature, and Carnot cycle".

    PubMed

    González-Díaz, L A; Díaz-Solórzano, S

    2015-05-01

    In the paper by Abe and Okuyama [Phys. Rev. E 83, 021121 (2011)], the quantum Carnot cycle of a simple two-state model of a particle confined in a one-dimensional infinite potential well is discussed. It is claimed that the state at the beginning of the quantum Carnot cycle is pure. After that, it is apparently transmuted to a mixed state if Clausius equality is imposed. We prove that this statement is incorrect. In particular, we prove that the state at the beginning of the cycle is mixed due to the process of measuring energy.

  17. Thermodynamic constitutive model for load-biased thermal cycling test of shape memory alloy

    SciTech Connect

    Young, Sung; Nam, Tae-Hyun

    2013-12-15

    Graphical abstract: - Highlights: • Thermodynamic calculation model for martensitic transformation of shape memory alloy was proposed. • Evolution of the self-accommodation was considered independently by a rate-dependent kinetic equation. • Finite element calculation was conducted for B2–B19′ transformation of Ti–44.5Ni–5Cu–0.5 V (at.%). • Three-dimensional numerical results predict the macroscopic strain under bias loading accurately. - Abstract: This paper presents a three-dimensional calculation model for martensitic phase transformation of shape memory alloy. Constitutive model based on thermodynamic theory was provided. The average behavior was accounted for by considering the volume fraction of each martensitic variant in the material. Evolution of the volume fraction of each variant was determined by a rate-dependent kinetic equation. We assumed that nucleation rate is faster for the self-accommodation than for the stress-induced variants. Three-dimensional finite element analysis was conducted and the results were compared with the experimental data of Ti–44.5Ni–5Cu–0.5 V (at.%) alloy under bias loading.

  18. Thermodynamic property evaluation and magnetic refrigeration cycle analysis for gadolinium gallium garnet

    SciTech Connect

    Murphy, R.W.

    1994-12-01

    Based on relevant material property data and previous model formulations, a magnetothermodynamic property map for gadolinium gallium garnet (Gd{sub 3}Ga{sub 5}O{sub 12}) was adapted for refrigeration cycle analysis in the temperature range 4-40 K and the magnetic field range 0-6 T. Employing methods similar to those previously developed for other materials and temperature ranges, assessments of limitations and relative performance were made for Carnot, ideal regenerative, and pseudo-constant field regenerative cycles. It was found that although Carnot cycle limitations on available temperature lift for gadolinium gallium garnet are not as severe as the limitations for materials previously examined, considerable improvement in cooling capacity and temperature lift combinations can be achieved by using regenerative cycles if serious loss mechanisms are avoided.

  19. Recombinant Escherichia coli GMP reductase: kinetic, catalytic and chemical mechanisms, and thermodynamics of enzyme-ligand binary complex formation.

    PubMed

    Martinelli, Leonardo Krás Borges; Ducati, Rodrigo Gay; Rosado, Leonardo Astolfi; Breda, Ardala; Selbach, Bruna Pelegrim; Santos, Diógenes Santiago; Basso, Luiz Augusto

    2011-04-01

    Guanosine monophosphate (GMP) reductase catalyzes the reductive deamination of GMP to inosine monophosphate (IMP). GMP reductase plays an important role in the conversion of nucleoside and nucleotide derivatives of guanine to adenine nucleotides. In addition, as a member of the purine salvage pathway, it also participates in the reutilization of free intracellular bases. Here we present cloning, expression and purification of Escherichia coli guaC-encoded GMP reductase to determine its kinetic mechanism, as well as chemical and thermodynamic features of this reaction. Initial velocity studies and isothermal titration calorimetry demonstrated that GMP reductase follows an ordered bi-bi kinetic mechanism, in which GMP binds first to the enzyme followed by NADPH binding, and NADP(+) dissociates first followed by IMP release. The isothermal titration calorimetry also showed that GMP and IMP binding are thermodynamically favorable processes. The pH-rate profiles showed groups with apparent pK values of 6.6 and 9.6 involved in catalysis, and pK values of 7.1 and 8.6 important to GMP binding, and a pK value of 6.2 important for NADPH binding. Primary deuterium kinetic isotope effects demonstrated that hydride transfer contributes to the rate-limiting step, whereas solvent kinetic isotope effects arise from a single protonic site that plays a modest role in catalysis. Multiple isotope effects suggest that protonation and hydride transfer steps take place in the same transition state, lending support to a concerted mechanism. Pre-steady-state kinetic data suggest that product release does not contribute to the rate-limiting step of the reaction catalyzed by E. coli GMP reductase.

  20. Thermodynamic description and unidirectional solidification of eutectic organic alloys: IV. Binary systems neopentylglycol-succinonitrile and amino-methyl-propanediol-succinonitrile

    SciTech Connect

    Witusiewicz, V.T. . E-mail: victor@access.rwth-aachen.de; Sturz, L.; Hecht, U.; Rex, S.

    2005-01-03

    The temperature and enthalpy of transformations of organic alloys from the binary systems neopentylglycol-succinonitrile (NPG-SCN) and 2-amino-2-methyl-1,3-propanediol-succinonitrile (AMPD-SCN) were measured by means of differential scanning calorimetry (DSC). The phase diagrams of these binary systems were assessed via the CALPHAD approach using Thermo-Calc by simultaneously optimizing the thermodynamic and phase equilibrium data measured in the present work. Proper agreements between the experimental and calculated data for the phase diagrams as well as for the thermochemical properties were achieved. Experiments and calculations show that both the NPG-SCN and the AMPD-SCN systems exhibit a non-variant eutectic reaction with the eutectic point at 90.45 mol% SCN (318.0 K) and at 97.39 mol% SCN (325.7 K), respectively. In the NPG-SCN system the temperature of the eutectic reaction is about 3 K higher than the temperature of the transformation from the ordered crystals (OCs) to the orientationally disordered crystals (ODICs), whereas the eutectic reaction in the AMPD-SCN involves the OCs of AMPD and the ODICs of SCN. Unidirectional solidification experiments were performed with selected NPG-SCN and AMPD-SCN alloys in order to verify phases involved in solid-liquid equilibria and the nature of eutectic growth in these systems. We find that eutectic growth in NPG-SCN eutectic alloy occurs with both solid phases being non-facetted and with a rod-like eutectic structure. The eutectic as well as some hypo-eutectic alloys from the AMPD-SCN system show irregular eutectic growth with a non-facetted BCC{sub A}2 phase of SCN and a facetted monoclinic phase of AMPD.

  1. Thermodynamic modelling of a double-effect LiBr-H2O absorption refrigeration cycle

    NASA Astrophysics Data System (ADS)

    Iranmanesh, A.; Mehrabian, M. A.

    2012-12-01

    The goal of this paper is to estimate the conductance of components required to achieve the approach temperatures, and gain insights into a double-effect absorption chiller using LiBr-H2O solution as the working fluid. An in-house computer program is developed to simulate the cycle. Conductance of all components is evaluated based on the approach temperatures assumed as input parameters. The effect of input data on the cycle performance and the exergetic efficiency are investigated.

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

    PubMed

    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.

  3. Analysis and optimization of three main organic Rankine cycle configurations using a set of working fluids with different thermodynamic behaviors

    NASA Astrophysics Data System (ADS)

    Hamdi, Basma; Mabrouk, Mohamed Tahar; Kairouani, Lakdar; Kheiri, Abdelhamid

    2017-06-01

    Different configurations of organic Rankine cycle (ORC) systems are potential thermodynamic concepts for power generation from low grade heat. The aim of this work is to investigate and optimize the performances of the three main ORC systems configurations: basic ORC, ORC with internal heat exchange (IHE) and regenerative ORC. The evaluation for those configurations was performed using seven working fluids with typical different thermodynamic behaviours (R245fa, R601a, R600a, R227ea, R134a, R1234ze and R1234yf). The optimization has been performed using a genetic algorithm under a comprehensive set of operative parameters such as the fluid evaporating temperature, the fraction of flow rate or the pressure at the steam extracting point in the turbine. Results show that there is no general best ORC configuration for all those fluids. However, there is a suitable configuration for each fluid. Contribution to the topical issue "Materials for Energy harvesting, conversion and storage II (ICOME 2016)", edited by Jean-Michel Nunzi, Rachid Bennacer and Mohammed El Ganaoui

  4. Entropy production in mesoscopic stochastic thermodynamics: nonequilibrium kinetic cycles driven by chemical potentials, temperatures, and mechanical forces.

    PubMed

    Qian, Hong; Kjelstrup, Signe; Kolomeisky, Anatoly B; Bedeaux, Dick

    2016-04-20

    Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager's reciprocal relations in this context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.

  5. Entropy production in mesoscopic stochastic thermodynamics: nonequilibrium kinetic cycles driven by chemical potentials, temperatures, and mechanical forces

    NASA Astrophysics Data System (ADS)

    Qian, Hong; Kjelstrup, Signe; Kolomeisky, Anatoly B.; Bedeaux, Dick

    2016-04-01

    Nonequilibrium thermodynamics (NET) investigates processes in systems out of global equilibrium. On a mesoscopic level, it provides a statistical dynamic description of various complex phenomena such as chemical reactions, ion transport, diffusion, thermochemical, thermomechanical and mechanochemical fluxes. In the present review, we introduce a mesoscopic stochastic formulation of NET by analyzing entropy production in several simple examples. The fundamental role of nonequilibrium steady-state cycle kinetics is emphasized. The statistical mechanics of Onsager’s reciprocal relations in this context is elucidated. Chemomechanical, thermomechanical, and enzyme-catalyzed thermochemical energy transduction processes are discussed. It is argued that mesoscopic stochastic NET in phase space provides a rigorous mathematical basis of fundamental concepts needed for understanding complex processes in chemistry, physics and biology. This theory is also relevant for nanoscale technological advances.

  6. Thermodynamic behavior of the binaries 1-butylpyridinium tetrafluoroborate with water and alkanols: their interpretation using 1H NMR spectroscopy and quantum-chemistry calculations.

    PubMed

    Vreekamp, Remko; Castellano, Desire; Palomar, José; Ortega, Juan; Espiau, Fernando; Fernández, Luís; Penco, Eduvigis

    2011-07-14

    Here we present experimental data of different properties for a set of binary mixtures composed of water or alkanols (methanol to butanol) with an ionic liquid (IL), butylpyridinium tetrafluoroborate [bpy][BF(4)]. Solubility data (x(IL),T) are presented for each of the mixtures, including water, which is found to have a small interval of compositions in IL, x(IL), with immiscibility. In each case, the upper critical solubility temperature (UCST) is determined and a correlation was observed between the UCST and the nature of the compounds in the mixtures. Miscibility curves establish the composition and temperature intervals where thermodynamic properties of the mixtures, such as enthalpies H(m)(E) and volumes V(m)(E), can be determined. Hence, at 298.15 and 318.15 K these can only be found with the first four alkanols. All mixing properties are correlated with a suitable equation ξ (x(IL),T,Y(m)(E) = 0. An analysis on the influence of the temperature in the properties is shown, likewise a comparison between the results obtained here and those of analogous mixtures, discussing the position of the -CH(3) group in the pyridinic ring. The (1)H NMR spectra are determined to analyze the molecular interactions present, especially those due to hydrogen bonds. Additional information about the molecular interactions and their influence on the mixing properties is obtained by quantum chemistry calculations. © 2011 American Chemical Society

  7. Review of the phase equilibria and thermodynamics of binary and ternary systems composed of IFR fuel component metals (U, Pu, and Zr) and nitrogen

    SciTech Connect

    Leibowitz, L.; Veleckis, E.; Blomquist, R. A.

    1987-09-01

    Studies of the interactions of IFR fuel alloys with stainless steel cladding materials have shown evidence for segregation of metallic alloy components at the fuel-cladding interface. The phenomenon seems to be related to the availability of nitrogen and other reactive elements. For the interpretation of surface segregation results it will be necessary to establish (1) the composition of the phases formed in the ternary alloys under the action of nitrogen, (2) diffusion characteristics of various components in these phases and those of nitrogen itself, and (3) activity gradients established in the component metals providing driving forces for material migration. In this technical memorandum we present a literature survey and evaluation of the binary and ternary systems formed among uranium, plutonium, zirconium, and nitrogen. Both the phase diagram data and available thermodynamics are included. The following systems were surveyed: U-N, Pu-N, Zr-N, U-Pu, U-Zr, Pu-Zr, U-Pu-Zr, U-Pu-N, U-Zr-N, and Pu-Zr-N.

  8. An Analysis of the Thermodynamic Cycle and Possible Working Fluids for a Space Heat Rejection System

    DTIC Science & Technology

    1960-08-12

    absorption cross section - the neutron absorption cross section should be low to assure reliable long-term operation with the nuclear re- actor heat...and structure. For the power cycle as considered In this paper, the fol- lowing properties of the working fluid are also of interest: (1) Neutron

  9. Thermodynamical and structural properties of binary mixtures of imidazolium chloride ionic liquids and alcohols from molecular simulation

    NASA Astrophysics Data System (ADS)

    Raabe, Gabriele; Köhler, Jürgen

    2008-10-01

    We have performed molecular dynamics simulations to determine the densities, excess energies of mixing, and structural properties of binary mixtures of the 1-alkyl-3-methylimidazolium chloride ionic liquids (ILs) [amim][Cl] and ethanol and 1-propanol in the temperature range from 298.15to363.15K. As in our previous work [J. Chem. Phys. 128, 154509 (2008)], our simulation studies are based on a united atom model from Liu et al. [Phys. Chem. Chem. Phys. 8, 1096 (2006)] for the 1-ethyl- and 1-butyl-3-methylimidazolium cations [emim+] and [bmim+], which we have extended to the 1-hexyl-3-methylimidazolium [hmim+] cation and combined with parameters of Canongia Lopes et al. [J. Phys. Chem. B 108, 2038 (2004)] for the chloride anion [Cl-] and the force field by Khare et al. for the alcohols [J. Phys. Chem. B 108, 10071 (2004)]. With this, we provide both prediction for the densities of the mixtures that have mostly not been investigated experimentally yet and a molecular picture of the interactions between the alcohol molecules and the ions. The negative excess energies of all mixtures indicate an energetically favorable mixing of [amim][Cl] ILs and alcohols. To gain insight into the nonideality of the mixtures on the molecular level, we analyzed their local structures by radial and spatial distribution functions. These analyses show that the local ordering in these mixtures is determined by strong hydrogen-bond interactions between the chloride anion and the hydroxyls of the alcohols, enhanced interactions between the anion and the charged domain of the cation, and an increasing aggregation of the nonpolar alkyl tails of the alcohols and the cations with increasing cation size, which results in a segregation of polar and nonpolar domains.

  10. Thermodynamics and extraction modeling of trivalent lanthanides in the nuclear fuel cycle

    SciTech Connect

    Levitskaia, T.G.; Chatterjee, S.; Valerio, E.L.; Robinson, T.A.

    2013-07-01

    In this investigation, a combination of VPO (Vapor Pressure Osmometry) and water activity methods was applied to measure water activity and osmotic coefficients of binary lanthanide nitrate solutions at a temperature of 25 C. degrees. It was observed that the nature of the lanthanide nitrate has pronounced effect on the water activity in solution. In the solutions with the same Ln(NO{sub 3}){sub 3} molality, water activity is decreased in the order from the light to heavy lanthanides. This trend was explained by the contraction of the lanthanide ionic radii in the same order resulting in the [Ln(H{sub 2}O){sub n}]{sup 3+} (aq) hydration number of 9 for the early (La-Sm) and 8 for the late (Dy-Lu) lanthanides, with the intermediate metals exhibiting a mixture of eight and nine coordinate molecules. This results in the dissimilar effect of the light and heavy lanthanides on the water structure manifesting in the systematic changes of the water activity in the series of concentrated lanthanide solutions. Experimental water activity and osmotic coefficient data agree well with the literature for both 1:1 and 3:1 electrolyte systems. The Pitzer parameters obtained fitting these data are in an excellent agreement with the literature reported values for Ln(NO{sub 3}){sub 3} solutions.

  11. Efficiency at maximum power of a quantum Otto cycle within finite-time or irreversible thermodynamics.

    PubMed

    Wu, Feilong; He, Jizhou; Ma, Yongli; Wang, Jianhui

    2014-12-01

    We consider the efficiency at maximum power of a quantum Otto engine, which uses a spin or a harmonic system as its working substance and works between two heat reservoirs at constant temperatures T(h) and T(c) (thermodynamics, we calculate the Onsager coefficients and show that the value of η(CA) is indeed the upper bound of EMP for an Otto engine working in the linear-response regime.

  12. Efficiency at maximum power of a quantum Otto cycle within finite-time or irreversible thermodynamics

    NASA Astrophysics Data System (ADS)

    Wu, Feilong; He, Jizhou; Ma, Yongli; Wang, Jianhui

    2014-12-01

    We consider the efficiency at maximum power of a quantum Otto engine, which uses a spin or a harmonic system as its working substance and works between two heat reservoirs at constant temperatures Th and Tc (thermodynamics, we calculate the Onsager coefficients and show that the value of ηCA is indeed the upper bound of EMP for an Otto engine working in the linear-response regime.

  13. A LiFSI-LiTFSI binary-salt electrolyte to achieve high capacity and cycle stability for a Li-S battery.

    PubMed

    Hu, J J; Long, G K; Liu, S; Li, G R; Gao, X P

    2014-12-04

    LiFSI and LiTFSI are combined to form a binary-salt electrolyte with higher ionic conductivity and lower viscosity for a Li-S battery. A high capacity and stable cycle performance of the sulfur-based composite with high sulfur content are realized in the electrolyte, accompanied simultaneously by the homogeneous lithium deposition on the anode.

  14. Thermodynamic systems analysis of open-cycle Ocean Thermal Energy Conversion (OTEC)

    NASA Astrophysics Data System (ADS)

    Parsons, B. K.; Bharathan, D.; Althof, J. A.

    1985-09-01

    This report describes an updated thermal-hydraulic systems analysis program called OTECSYS that studies the integrated performance of an open-cycle ocean thermal energy conversion (OTEC) plant, specifically, the effects of component performance, design parameters, and site specific resource data on the total system performance and plant size. OTECSYS can size the various open-cycle power cycle and hydraulic components. Models for the evaporator, mist eliminator, turbine-generator diffuser, direct-contact condenser, exhaust compressors, seawater pumps, and seawater piping are included, as are evaluations of the pressure drops associated with the intercomponent connections. It can also determine the required steam, cold seawater, and warm seawater flow rates. OTECSYS uses an approach similar to earlier work and integrates the most up-to-date developments in component performance and configuration. The program format allows the user to examine subsystem concepts not currently included by creating new component models. It will be useful to the OTEC plant designer who wants to quantify the design point sizing, performance, and power production using site-specific resource data. Detailed design trade-offs are easily evaluated, and several examples of these types of investigations are presented using plant size and power as criteria.

  15. Changes of the thermodynamic parameters in failure conditions of the micro-CHP cycle

    NASA Astrophysics Data System (ADS)

    Matysko, Robert; Mikielewicz, Jarosław; Ihnatowicz, Eugeniusz

    2014-03-01

    The paper presents the calculations for the failure conditions of the ORC (organic Rankine cycle) cycle in the electrical power system. It analyses the possible reasons of breakdown, such as the electrical power loss or the automatic safety valve failure. The micro-CHP (combined heat and power) system should have maintenance-free configuration, which means that the user does not have to be acquainted with all the details of the ORC system operation. However, the system should always be equipped with the safety control systems allowing for the immediate turn off of the ORC cycle in case of any failure. In case of emergency, the control system should take over the safety tasks and protect the micro-CHP system from damaging. Although, the control systems are able to respond quickly to the CHP system equipped with the inertial systems, the negative effects of failure are unavoidable and always remain for some time. Moreover, the paper presents the results of calculations determining the inertia for the micro-CHP system of the circulating ORC pump, heat removal pump (cooling condenser) and the heat supply pump in failure conditions.

  16. Reply to "Comment on 'Similarity between quantum mechanics and thermodynamics: Entropy, temperature, and Carnot cycle' ''.

    PubMed

    Abe, Sumiyoshi

    2015-05-01

    In their Comment on the paper [Abe and Okuyama, Phys. Rev. E 83, 021121 (2011)], González-Díaz and Díaz-Solórzano discuss that the initial state of the quantum-mechanical analog of the Carnot cycle should be not in a pure state but in a mixed state due to a projective measurement of the system energy. Here, first the Comment is shown to miss the point. Then, second, multiple projective measurements are discussed as a generalization of the Comment, although they are not relevant to the work commented.

  17. Reply to ``Comment on `Similarity between quantum mechanics and thermodynamics: Entropy, temperature, and Carnot cycle' ''

    NASA Astrophysics Data System (ADS)

    Abe, Sumiyoshi

    2015-05-01

    In their Comment on the paper [Abe and Okuyama, Phys. Rev. E 83, 021121 (2011), 10.1103/PhysRevE.83.021121], González-Díaz and Díaz-Solórzano discuss that the initial state of the quantum-mechanical analog of the Carnot cycle should be not in a pure state but in a mixed state due to a projective measurement of the system energy. Here, first the Comment is shown to miss the point. Then, second, multiple projective measurements are discussed as a generalization of the Comment, although they are not relevant to the work commented.

  18. Continuous cultivation and thermodynamic aspects of niche definition in the nitrogen cycle.

    PubMed

    Müller, Stefanie; Strous, Marc

    2011-01-01

    The study of model organisms in pure culture has provided detailed information about the physiology and biochemistry of nitrification and related processes. Metagenomic sequencing of environmental samples is providing information to what extent this understanding also applies to natural microbial communities. Here, we outline a conceptual and experimental strategy that links these two approaches. It consists of the mathematical modeling of nitrification and related processes. The model predictions are subsequently validated experimentally by the study of natural microbial communities in continuous cultures under precisely defined environmental conditions. Combined with calorimetry and metagenomic monitoring this form of "experimental metagenomics" enables the answering of current questions in the ecology of the nitrogen cycle.

  19. Dry/Wet Cycling and the Thermodynamics and Kinetics of Prebiotic Polymer Synthesis.

    PubMed

    Ross, David S; Deamer, David

    2016-07-26

    The endoergic nature of protein and nucleic acid assembly in aqueous media presents two questions that are fundamental to the understanding of life's origins: (i) how did the polymers arise in an aqueous prebiotic world; and (ii) once formed in some manner, how were they sufficiently persistent to engage in further chemistry. We propose here a quantitative resolution of these issues that evolved from recent accounts in which RNA-like polymers were produced in evaporation/rehydration cycles. The equilibrium Nm + Nn ↔ Nm+n + H₂O is endoergic by about 3.3 kcal/mol for polynucleotide formation, and the system thus lies far to the left in the starting solutions. Kinetic simulations of the evaporation showed that simple Le Châtelier's principle shifts were insufficient, but the introduction of oligomer-stabilizing factors of 5-10 kcal/mol both moved the process to the right and respectively boosted and retarded the elongation and hydrolysis rates. Molecular crowding and excluded volume effects in present-day cells yield stabilizing factors of that order, and we argue here that the crowded conditions in the evaporites generate similar effects. Oligomer formation is thus energetically preferred in those settings, but the process is thwarted in each evaporation step as diffusion becomes rate limiting. Rehydration dissipates disordered oligomer clusters in the evaporites, however, and subsequent dry/wet cycling accordingly "ratchets up" the system to an ultimate population of kinetically trappedthermodynamically preferred biopolymers.

  20. Dry/Wet Cycling and the Thermodynamics and Kinetics of Prebiotic Polymer Synthesis

    PubMed Central

    Ross, David S.; Deamer, David

    2016-01-01

    The endoergic nature of protein and nucleic acid assembly in aqueous media presents two questions that are fundamental to the understanding of life’s origins: (i) how did the polymers arise in an aqueous prebiotic world; and (ii) once formed in some manner, how were they sufficiently persistent to engage in further chemistry. We propose here a quantitative resolution of these issues that evolved from recent accounts in which RNA-like polymers were produced in evaporation/rehydration cycles. The equilibrium Nm + Nn ↔ Nm+n + H2O is endoergic by about 3.3 kcal/mol for polynucleotide formation, and the system thus lies far to the left in the starting solutions. Kinetic simulations of the evaporation showed that simple Le Châtelier’s principle shifts were insufficient, but the introduction of oligomer-stabilizing factors of 5–10 kcal/mol both moved the process to the right and respectively boosted and retarded the elongation and hydrolysis rates. Molecular crowding and excluded volume effects in present-day cells yield stabilizing factors of that order, and we argue here that the crowded conditions in the evaporites generate similar effects. Oligomer formation is thus energetically preferred in those settings, but the process is thwarted in each evaporation step as diffusion becomes rate limiting. Rehydration dissipates disordered oligomer clusters in the evaporites, however, and subsequent dry/wet cycling accordingly “ratchets up” the system to an ultimate population of kinetically trappedthermodynamically preferred biopolymers. PMID:27472365

  1. Experimental Performance Analysis of Supercritical CO2 Thermodynamic Cycle Powered by Solar Energy

    NASA Astrophysics Data System (ADS)

    Zhang, X. R.; Yamaguchi, H.; Fujima, K.; Enomoto, M.; Sawada, N.

    2006-05-01

    The interests in using carbon dioxide as working fluid increase since the Montreal and Kyoto Protocols were made. In this paper, a complete effort was made to study the performance of CO2 Rankine cycle powered by solar energy experimentally. The system utilizes evacuated solar collectors to convert CO2 into high-temperature supercritical state, used to produce electrical energy and thermal energy, which could be used for air conditioning and hot water supply and so on. The system performances were tested not only in summer, but also in winter; not only in sunny day, but also in cloudy day. The interest of the paper is the solar collector efficiency, because the absorbed heat quantity in the collector can be utilized for power generation and heat supply and other useful outputs. The results show that annually-averaged solar collector efficiency was measured at about 60.4%. The study shows the potential of the application of the solar powered CO2 cycle as a distributed power/heat generation system.

  2. Suzaku monitoring of hard X-ray emission from η Carinae over a single binary orbital cycle

    SciTech Connect

    Hamaguchi, Kenji; Corcoran, Michael F.; Yuasa, Takayuki; Ishida, Manabu; Pittard, Julian M.; Russell, Christopher M. P.

    2014-11-10

    The Suzaku X-ray observatory monitored the supermassive binary system η Carinae 10 times during the whole 5.5 yr orbital cycle between 2005 and 2011. This series of observations presents the first long-term monitoring of this enigmatic system in the extremely hard X-ray band between 15 and 40 keV. During most of the orbit, the 15-25 keV emission varied similarly to the 2-10 keV emission, indicating an origin in the hard energy tail of the kT ∼ 4 keV wind-wind collision (WWC) plasma. However, the 15-25 keV emission declined only by a factor of three around periastron when the 2-10 keV emission dropped by two orders of magnitude due probably to an eclipse of the WWC plasma. The observed minimum in the 15-25 keV emission occurred after the 2-10 keV flux had already recovered by a factor of ∼3. This may mean that the WWC activity was strong, but hidden behind the thick primary stellar wind during the eclipse. The 25-40 keV flux was rather constant through the orbital cycle, at the level measured with INTEGRAL in 2004. This result may suggest a connection of this flux component to the γ-ray source detected in this field. The helium-like Fe Kα line complex at ∼6.7 keV became strongly distorted toward periastron as seen in the previous cycle. The 5-9 keV spectra can be reproduced well with a two-component spectral model, which includes plasma in collision equilibrium and a plasma in non-equilibrium ionization (NEI) with τ ∼ 10{sup 11} cm{sup –3} s{sup –1}. The NEI plasma increases in importance toward periastron.

  3. Scale Resistant Heat Exchanger for Low Temperature Geothermal Binary Cycle Power Plant

    SciTech Connect

    Hays, Lance G.

    2014-11-18

    Phase 1 of the investigation of improvements to low temperature geothermal power systems was completed. The improvements considered were reduction of scaling in heat exchangers and a hermetic turbine generator (eliminating seals, seal system, gearbox, and lube oil system). A scaling test system with several experiments was designed and operated at Coso geothermal resource with brine having a high scaling potential. Several methods were investigated at the brine temperature of 235 ºF. One method, circulation of abradable balls through the brine passages, was found to substantially reduce scale deposits. The test heat exchanger was operated with brine outlet temperatures as low as 125 ºF, which enables increased heat input available to power conversion systems. For advanced low temperature cycles, such as the Variable Phase Cycle (VPC) or Kalina Cycle, the lower brine temperature will result in a 20-30% increase in power production from low temperature resources. A preliminary design of an abradable ball system (ABS) was done for the heat exchanger of the 1 megawatt VPC system at Coso resource. The ABS will be installed and demonstrated in Phase 2 of this project, increasing the power production above that possible with the present 175 ºF brine outlet limit. A hermetic turbine generator (TGH) was designed and manufacturing drawings produced. This unit will use the working fluid (R134a) to lubricate the bearings and cool the generator. The 200 kW turbine directly drives the generator, eliminating a gearbox and lube oil system. Elimination of external seals eliminates the potential of leakage of the refrigerant or hydrocarbon working fluids, resulting in environmental improvement. A similar design has been demonstrated by Energent in an ORC waste heat recovery system. The existing VPC power plant at Coso was modified to enable the “piggyback” demonstration of the TGH. The existing heat exchanger, pumps, and condenser will be operated to provide the required

  4. Surface interactions, thermodynamics and topography of binary monolayers of Insulin with dipalmitoylphosphatidylcholine and 1-palmitoyl-2-oleoylphosphatidylcholine at the air/water interface.

    PubMed

    Grasso, E J; Oliveira, R G; Maggio, B

    2016-02-15

    The molecular packing, thermodynamics and surface topography of binary Langmuir monolayers of Insulin and DPPC (dipalmitoylphosphatidylcholine) or POCP (1-palmitoyl-2-oleoylphosphatidylcholine) at the air/water interface on Zn(2+) containing solutions were studied. Miscibility and interactions were ascertained by the variation of surface pressure-mean molecular area isotherms, surface compressional modulus and surface (dipole) potential with the film composition. Brewster Angle Microscopy was used to visualize the surface topography of the monolayers. Below 20mN/m Insulin forms stable homogenous films with DPPC and POPC at all mole fractions studied (except for films with XINS=0.05 at 10mN/m where domain coexistence was observed). Above 20mN/m, a segregation process between mixed phases occurred in all monolayers without squeezing out of individual components. Under compression the films exhibit formation of a viscoelastic or kinetically trapped organization leading to considerable composition-dependent hysteresis under expansion that occurs with entropic-enthalpic compensation. The spontaneously unfavorable interactions of Insulin with DPPC are driven by favorable enthalpy that is overcome by unfavorable entropic ordering; in films with POPC both the enthalpic and entropic effects are unfavorable. The surface topography reveals domain coexistence at relatively high pressure showing a striped appearance. The interactions of Insulin with two major membrane phospholipids induces composition-dependent and long-range changes of the surface organization that ought to be considered in the context of the information-transducing capabilities of the hormone for cell functioning. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Thermodynamic and heat transfer analysis of heat recovery from engine test cell by Organic Rankine Cycle

    NASA Astrophysics Data System (ADS)

    Shokati, Naser; Mohammadkhani, Farzad; Farrokhi, Navid; Ranjbar, Faramarz

    2014-12-01

    During manufacture of engines, evaluation of engine performance is essential. This is accomplished in test cells. During the test, a significant portion of heat energy released by the fuel is wasted. In this study, in order to recover these heat losses, Organic Rankine Cycle (ORC) is recommended. The study has been conducted assuming the diesel oil to be composed of a single hydrocarbon such as C12H26. The composition of exhaust gases (products of combustion) have been computed (and not determined experimentally) from the stoichiometric equation representing the combustion reaction. The test cell heat losses are recovered in three separate heat exchangers (preheater, evaporator and superheater). These heat exchangers are separately designed, and the whole system is analyzed from energy and exergy viewpoints. Finally, a parametric study is performed to investigate the effect of different variables on the system performance characteristics such as the ORC net power, heat exchangers effectiveness, the first law efficiency, exergy destruction and heat transfer surfaces. The results of the study show that by utilizing ORC, heat recovery equivalent to 8.85 % of the engine power is possible. The evaporator has the highest exergy destruction rate, while the pump has the lowest among the system components. Heat transfer surfaces are calculated to be 173.6, 58.7, and 11.87 m2 for the preheater, evaporator and superheater, respectively.

  6. Thermodynamic and dynamic responses of the hydrological cycle to solar dimming

    NASA Astrophysics Data System (ADS)

    Smyth, Jane E.; Russotto, Rick D.; Storelvmo, Trude

    2017-05-01

    The fundamental role of the hydrological cycle in the global climate system motivates a thorough evaluation of its responses to climate change and mitigation. The Geoengineering Model Intercomparison Project (GeoMIP) is a coordinated international effort to assess the climate impacts of solar geoengineering, a proposal to counteract global warming with a reduction in incoming solar radiation. We assess the mechanisms underlying the rainfall response to a simplified simulation of such solar dimming (G1) in the suite of GeoMIP models and identify robust features. While solar geoengineering nearly restores preindustrial temperatures, the global hydrology is altered. Tropical precipitation changes dominate the response across the model suite, and these are driven primarily by shifts of the Hadley circulation cells. We report a damping of the seasonal migration of the Intertropical Convergence Zone (ITCZ) in G1, associated with preferential cooling of the summer hemisphere, and annual mean ITCZ shifts in some models that are correlated with the warming of one hemisphere relative to the other. Dynamical changes better explain the varying tropical rainfall anomalies between models than changes in relative humidity or the Clausius-Clapeyron scaling of precipitation minus evaporation (P - E), given that the relative humidity and temperature responses are robust across the suite. Strong reductions in relative humidity over vegetated land regions are likely related to the CO2 physiological response in plants. The uncertainty in the spatial distribution of tropical P - E changes highlights the need for cautious consideration and continued study before any implementation of solar geoengineering.

  7. The thermodynamic evolution of the hurricane boundary layer during eyewall replacement cycles

    NASA Astrophysics Data System (ADS)

    Williams, Gabriel J.

    2016-12-01

    Eyewall replacement cycles (ERCs) are frequently observed during the lifecycle of mature tropical cyclones. Although the kinematic structure and intensity changes during an ERC have been well-documented, comparatively little research has been done to examine the evolution of the tropical cyclone boundary layer (TCBL) during an ERC. This study will examine how the inner core thermal structure of the TCBL is affected by the presence of multiple concentric eyewalls using a high-resolution moist, hydrostatic, multilayer diagnostic boundary layer model. Within the concentric eyewalls above the cloud base, latent heat release and vertical advection (due to the eyewall updrafts) dominate the heat and moisture budgets, whereas vertical advection (due to subsidence) and vertical diffusion dominate the heat and moisture budgets for the moat region. Furthermore, it is shown that the development of a moat region within the TCBL depends sensitively on the moat width in the overlying atmosphere and the relative strength of the gradient wind field in the overlying atmosphere. These results further indicate that the TCBL contributes to outer eyewall formation through a positive feedback process between the vorticity in the nascent outer eyewall, boundary layer convergence, and boundary layer moist convection.

  8. Metabolic network analysis of perfused livers under fed and fasted states: incorporating thermodynamic and futile-cycle-associated regulatory constraints.

    PubMed

    Orman, Mehmet A; Androulakis, Ioannis P; Berthiaume, Francois; Ierapetritou, Marianthi G

    2012-01-21

    Isolated liver perfusion systems have been extensively used to characterize intrinsic metabolic changes in liver under various conditions, including systemic injury, hepatotoxin exposure, and warm ischemia. Most of these studies were performed utilizing fasted animals prior to perfusion so that a simplified metabolic network could be used in order to determine intracellular fluxes. However, fasting induced metabolic alterations might interfere with disease related changes. Therefore, there is a need to develop a "unified" metabolic flux analysis approach that could be similarly applied to both fed and fasted states. In this study we explored a methodology based on elementary mode analysis in order to determine intracellular fluxes and active pathways simultaneously. In order to decrease the solution space, thermodynamic constraints, and enzymatic regulatory properties for the formation of futile cycles were further considered in the model, resulting in a mixed integer quadratic programming problem. Given the published experimental observations describing the perfused livers under fed and fasted states, the proposed approach successfully determined that gluconeogenesis, glycogenolysis and fatty acid oxidation were active in both states. However, fasting increased the fluxes in gluconeogenic reactions whereas it decreased fluxes associated with glycogenolysis, TCA cycle, fatty acid oxidation and electron transport reactions. This analysis further identified that more pathways were found to be active in fed state while their weight values were relatively lower compared to fasted state. Glucose, lactate, glutamine, glutamate and ketone bodies were also found to be important external metabolites whose extracellular fluxes should be used in the hepatic metabolic network analysis. In conclusion, the mathematical formulation explored in this study is an attractive tool to analyze the metabolic network of perfused livers under various disease conditions. This approach could

  9. Thermodynamically accurate modeling of the catalytic cycle of photosynthetic oxygen evolution: a mathematical solution to asymmetric Markov chains.

    PubMed

    Vinyard, David J; Zachary, Chase E; Ananyev, Gennady; Dismukes, G Charles

    2013-07-01

    Forty-three years ago, Kok and coworkers introduced a phenomenological model describing period-four oscillations in O2 flash yields during photosynthetic water oxidation (WOC), which had been first reported by Joliot and coworkers. The original two-parameter Kok model was subsequently extended in its level of complexity to better simulate diverse data sets, including intact cells and isolated PSII-WOCs, but at the expense of introducing physically unrealistic assumptions necessary to enable numerical solutions. To date, analytical solutions have been found only for symmetric Kok models (inefficiencies are equally probable for all intermediates, called "S-states"). However, it is widely accepted that S-state reaction steps are not identical and some are not reversible (by thermodynamic restraints) thereby causing asymmetric cycles. We have developed a mathematically more rigorous foundation that eliminates unphysical assumptions known to be in conflict with experiments and adopts a new experimental constraint on solutions. This new algorithm termed STEAMM for S-state Transition Eigenvalues of Asymmetric Markov Models enables solutions to models having fewer adjustable parameters and uses automated fitting to experimental data sets, yielding higher accuracy and precision than the classic Kok or extended Kok models. This new tool provides a general mathematical framework for analyzing damped oscillations arising from any cycle period using any appropriate Markov model, regardless of symmetry. We illustrate applications of STEAMM that better describe the intrinsic inefficiencies for photon-to-charge conversion within PSII-WOCs that are responsible for damped period-four and period-two oscillations of flash O2 yields across diverse species, while using simpler Markov models free from unrealistic assumptions. Copyright © 2013 Elsevier B.V. All rights reserved.

  10. pKa values of hyodeoxycholic and cholic acids in the binary mixed micelles sodium-hyodeoxycholate-Tween 40 and sodium-cholate-Tween 40: Thermodynamic stability of the micelle and the cooperative hydrogen bond formation with the steroid skeleton.

    PubMed

    Poša, Mihalj; Pilipović, Ana; Bećarević, Mirjana; Farkaš, Zita

    2017-01-01

    Due to a relatively small size of bile acid salts, their mixed micelles with nonionic surfactants are analysed. Of the special interests are real binary mixed micelles that are thermodynamically more stable than ideal mixed micelles. Thermodynamic stability is expressed with an excess Gibbs energy (G(E)) or over an interaction parameter (βij). In this paper sodium salts of cholic (C) and hyodeoxycholic acid (HD) in their mixed micelles with Tween 40 (T40) are analysed by potentiometric titration and their pKa values are determined. Examined bile acids in mixed micelles with T40 have higher pKa values than free bile acids. The increase of ΔpKa acid constant of micellary bound C and HD is in a correlation with absolute values of an interaction parameter. According to an interaction parameter and an excess Gibbs energy, mixed micelle HD-T40 are thermodynamically more stable than mixed micelles C-T40. ΔpKa values are higher for mixed micelles with Tween 40 whose second building unit is HD, related to the building unit C. In both micellar systems, ΔpKa increases with the rise of a molar fraction of Tween 40 in binary mixtures of surfactants with sodium salts of bile acids. This suggests that, ΔpKa can be a measure of a thermodynamic stabilization of analysed binary mixed micelles as well as an interaction parameter. ΔpKa values are confirmed by determination of a distribution coefficient of HD and C in systems: water phase with Tween 40 in a micellar concentration and 1-octanol, with a change of a pH value of a water phase. Conformational analyses suggests that synergistic interactions between building units of analysed binary micelles originates from formation of hydrogen bonds between steroid OH groups and polyoxyethylene groups of the T40. Relative similarity and spatial orientation of C3 and C6 OH group allows cooperative formation of hydrogen bonds between T40 and HD - excess entropy in formation of mixed micelle. If a water solution of analysed binary

  11. Thermodynamic properties of binary mixtures containing dimethyl carbonate+2-alkanol: Experimental data, correlation and prediction by ERAS model and cubic EOS

    NASA Astrophysics Data System (ADS)

    Almasi, Mohammad

    2013-03-01

    Densities and viscosities for binary mixtures of dimethyl carbonate with 2-propanol up to 2-heptanol were measured at various temperatures and ambient pressure. From experimental data, excess molar volumes, VmE. were calculated and correlated by the Redlich-Kister equation to obtain the binary coefficients and the standard deviations. Excess molar volumes, VmE, are positive for all studied mixtures over the entire range of the mole fraction. The ERAS-model has been applied for describing the binary excess molar volumes and also Peng-Robinson-Stryjek-Vera (PRSV) equation of state (EOS) has been used to predict the binary excess molar volumes and viscosities. Also several semi-empirical models were used to correlate the viscosity of binary mixtures.

  12. Thermodynamics of the formation of sulfuric acid dimers in the binary (H2SO4-H2O) and ternary (H2SO4-H2O-NH3) system

    NASA Astrophysics Data System (ADS)

    Kürten, A.; Münch, S.; Rondo, L.; Bianchi, F.; Duplissy, J.; Jokinen, T.; Junninen, H.; Sarnela, N.; Schobesberger, S.; Simon, M.; Sipilä, M.; Almeida, J.; Amorim, A.; Dommen, J.; Donahue, N. M.; Dunne, E. M.; Flagan, R. C.; Franchin, A.; Kirkby, J.; Kupc, A.; Makhmutov, V.; Petäjä, T.; Praplan, A. P.; Riccobono, F.; Steiner, G.; Tomé, A.; Tsagkogeorgas, G.; Wagner, P. E.; Wimmer, D.; Baltensperger, U.; Kulmala, M.; Worsnop, D. R.; Curtius, J.

    2015-09-01

    Sulfuric acid is an important gas influencing atmospheric new particle formation (NPF). Both the binary (H2SO4-H2O) system and the ternary system involving ammonia (H2SO4-H2O-NH3) may be important in the free troposphere. An essential step in the nucleation of aerosol particles from gas-phase precursors is the formation of a dimer, so an understanding of the thermodynamics of dimer formation over a wide range of atmospheric conditions is essential to describe NPF. We have used the CLOUD chamber to conduct nucleation experiments for these systems at temperatures from 208 to 248 K. Neutral monomer and dimer concentrations of sulfuric acid were measured using a chemical ionization mass spectrometer (CIMS). From these measurements, dimer evaporation rates in the binary system were derived for temperatures of 208 and 223 K. We compare these results to literature data from a previous study that was conducted at higher temperatures but is in good agreement with the present study. For the ternary system the formation of H2SO4·NH3 is very likely an essential step in the formation of sulfuric acid dimers, which were measured at 210, 223, and 248 K. We estimate the thermodynamic properties (dH and dS) of the H2SO4·NH3 cluster using a simple heuristic model and the measured data. Furthermore, we report the first measurements of large neutral sulfuric acid clusters containing as many as 10 sulfuric acid molecules for the binary system using chemical ionization-atmospheric pressure interface time-of-flight (CI-APi-TOF) mass spectrometry.

  13. Calculation of the aqueous thermodynamic properties of citric acid cycle intermediates and precursors and the estimation of high temperature and pressure equation of state parameters.

    PubMed

    Dalla-Betta, Peter; Schulte, Mitchell

    2009-06-22

    The citric acid cycle (CAC) is the central pathway of energy transfer for many organisms, and understanding the origin of this pathway may provide insight into the origins of metabolism. In order to assess the thermodynamics of this key pathway for microorganisms that inhabit a wide variety of environments, especially those found in high temperature environments, we have calculated the properties and parameters for the revised Helgeson-Kirkham-Flowers equation of state for the major components of the CAC. While a significant amount of data is not available for many of the constituents of this fundamental pathway, methods exist that allow estimation of these missing data.

  14. Calculation of the Aqueous Thermodynamic Properties of Citric Acid Cycle Intermediates and Precursors and the Estimation of High Temperature and Pressure Equation of State Parameters

    PubMed Central

    Dalla-Betta, Peter; Schulte, Mitchell

    2009-01-01

    The citric acid cycle (CAC) is the central pathway of energy transfer for many organisms, and understanding the origin of this pathway may provide insight into the origins of metabolism. In order to assess the thermodynamics of this key pathway for microorganisms that inhabit a wide variety of environments, especially those found in high temperature environments, we have calculated the properties and parameters for the revised Helgeson-Kirkham-Flowers equation of state for the major components of the CAC. While a significant amount of data is not available for many of the constituents of this fundamental pathway, methods exist that allow estimation of these missing data. PMID:19582231

  15. Thermodynamic study of air-cycle and mercury-vapor-cycle systems for refrigerating cooling air for turbines or other components

    NASA Technical Reports Server (NTRS)

    Nachtigall, Alfred J; Freche, John C; Esgar, Jack B

    1956-01-01

    An analysis of air refrigeration systems indicated that air cycles are generally less satisfactory than simple heat exchangers unless high component efficiencies and high values of heat-exchanger effectiveness can be obtained. A system employing a mercury-vapor cycle appears to be feasible for refrigerating air that must enter the system at temperature levels of approximately 1500 degrees R, and this cycle is more efficient than the air cycle. Weight of the systems was not considered. The analysis of the systems is presented in a generalized dimensionless form.

  16. Thermodynamics of the adsorption of volatile organic compounds in a binary polydimethylsiloxane-permethylated β-cyclodextrin stationary phase, as measured by gas chromatography

    NASA Astrophysics Data System (ADS)

    Onuchak, L. A.; Platonov, V. I.; Kuraeva, Yu. G.

    2013-05-01

    The sorption behavior of 29 organic compounds in a binary polydimethylsiloxane-permethylated β-cyclodextrin stationary phase is investigated using gas chromatography. The effect of the sorbates' polarity, shape, and chirality on the formation of sorbate-cyclodextrin inclusion complexes is studied.

  17. Experimental Determination of Thermodynamic Properties of Ion-Exchange in Heulandite: Binary Ion-Exchange Experiments at 55 and 85 oC Involving Ca2+, Sr2+, Na+, and K+

    SciTech Connect

    Fridriksson, T; Neuhoff, P S; Viani, B E; Bird, D K

    2004-04-26

    Fridriksson and others consistency among the equilibrium constants for three binary pairs was 900 J per mole of charge equivalents (eq) for the 55 C experiments and 2300 J eq-1 for the 85 C experiments. The applicability of the present experimental results and thermodynamic models was assessed by calculating the composition of heulandite in Icelandic geothermal systems from known compositions using the regressed thermodynamic properties of Ca{sup 2+}-Na{sup +} exchange at 85 C. Calculations predict an average Ca mole fraction [defined as Ca/(Ca+Na)] in heulandite of 0.74, in excellent agreement with observed compositions of heulandite from geothermal and metamorphic systems in Iceland (0.75). Thermodynamic data for heulandite ion exchange derived in this study can be used to predict partitioning of Ca, K, Na, and Sr between heulandite and aqueous solutions in geologic systems. Because heulandite is the most effective sink for Sr in basaltic aquifers that have undergone zeolite facies metamorphism, the experimental results of this study will provide essential data for modeling Sr transport in aquifers in low-grade metabasalts.

  18. Liquid-liquid miscibility gaps in drug-water binary systems: crystal structure and thermodynamic properties of prilocaine and the temperature-composition phase diagram of the prilocaine-water system.

    PubMed

    Rietveld, Ivo B; Perrin, Marc-Antoine; Toscani, Siro; Barrio, Maria; Nicolai, Beatrice; Tamarit, Josep-Lluis; Ceolin, René

    2013-04-01

    EMLA cream, a "eutectic mixture of local anesthetics", was developed in the early 1980s by Astra Pharmaceutical Production. The mixture of anesthetics containing lidocaine, prilocaine, and water is liquid at room temperature, which is partly due to the eutectic equilibrium between prilocaine and lidocaine at 293 K, as was clear from the start. However, the full thermodynamic background for the stability of the liquid and its emulsion-like appearance has never been elucidated. In the present study of the binary system prilocaine-water, a region of liquid-liquid demixing has been observed, linked to a monotectic equilibrium at 302.4 K. It results in a prilocaine-rich liquid containing approximately 0.7 mol fraction of anesthetic. Similar behavior has been reported for the binary system lidocaine-water (Céolin, R.; et al. J. Pharm. Sci. 2010, 99 (6), 2756-2765). In the ternary mixture, the combination of the monotectic equilibrium and the above-mentioned eutectic equilibrium between prilocaine and lidocaine results in an anesthetic-rich liquid that remains stable below room temperature. This liquid forms an emulsion-like mixture in the presence of an aqueous solution saturated with anesthetics. Physical properties and the crystal structure of prilocaine are also reported.

  19. Relationships between molecular structure and kinetic and thermodynamic controls in lipid systems. Part III. Crystallization and phase behavior of 1-palmitoyl-2,3-stearoyl-sn-glycerol (PSS) and tristearoylglycerol (SSS) binary system.

    PubMed

    Bouzidi, Laziz; Narine, Suresh S

    2012-01-01

    The phase behavior of 1-palmitoyl-2,3-distearoyl-sn-glycerol (PSS)/tristearoylglycerol (SSS) binary system was investigated in terms of polymorphism, crystallization and melting behavior, microstructure and solid fat content (SFC) using widely different constant cooling rates. Kinetic phase diagrams were experimentally determined from the DSC heating thermograms and analyzed using a thermodynamic model to account for non-ideality of mixing. The kinetic phase diagram presented a typical eutectic behavior with a eutectic point at the 0.5(PSS) mixture with a probable precipitation line from 0.5(PSS) to 1.0(PSS), regardless of the rate at which the sample was cooled. The eutectic temperature decreased only slightly with increasing cooling rate. PSS has a strong effect on the physical properties of the PSS-SSS mixtures. In fact, the overall phase behavior of the PSS-SSS binary system was determined, for a very large part, by the asymmetrical TAG. Moreover, PSS is a key driver of the high stability observed in crystal growth, polymorphism and phase development. Levels as low as 10% PSS, when cooled slowly, and 30% when cooled rapidly, were found to be sufficient to suppress the effect of thermal processing. Copyright © 2011 Elsevier Ireland Ltd. All rights reserved.

  20. Excess enthalpies of mixing, effect of temperature and composition on the density, and viscosity and thermodynamic properties of binary systems of {ammonium-based ionic liquid + alkanediol}.

    PubMed

    Domańska, Urszula; Papis, Paulina; Szydłowski, Jerzy; Królikowska, Marta; Królikowski, Marek

    2014-11-06

    In the present work the excess enthalpies of butyltrimethylammonium bis(trifluoromethyl-sulfonyl)imide, [N1114][NTf2], with 1,2-propanediol, or 1,2-butanediol, or 2,3-butanediol have been measured at T = 298.15 K. Additionally, the density, ρ, and dynamic viscosity, η, for binary solutions containing ionic liquids (ILs) and alkanedioles, {butyltrimethylammonium bis(trifluoromethyl-sulfonyl)imide, [N1114][NTf2], + 1,2-propanediol, 1,2-butanediol, 2,3-butanediol} and {(2-hydroxyethyl)trimethylammonium bis(trifluoro-methylsulfonyl)imide, [N1112OH][NTf2], + 1,2-propanediol, 1,3-propanediol, 1,5-pentanediol}, at wide temperature and composition ranges at ambient pressure have been investigated. From experimental values of the density, ρ, and dynamic viscosity, η, the excess molar volumes, V(E), and dynamic viscosity deviations, Δη, were calculated and correlated using the Redlich-Kister polynomial equation. The temperature dependence of density and viscosity for the tested binary systems was described by an empirical second-order polynomial and by the Vogel-Fucher-Tammann equation, respectively. The variation of density and viscosity as a function of composition has been described by the polynomial correlations. Comparison of the experimental results for the binary mixtures tested in this work allows us to determine the influence of alkanediol carbon chain length, the position of the hydroxyl group in the alcohol, and the influence of the structure of the cation of the ionic liquid on the presented properties.

  1. Cyclic Thermodynamics with Open Flow

    SciTech Connect

    Reid, R.S.; Ward, W.C.; Swift, G.W.

    1998-05-01

    Some general features of a new class of thermodynamic device combining a thermodynamic cycle with the externally applied steady flow of an open thermodynamic process are discussed and experimentally demonstrated in the context of a thermoacoustic refrigerator. {copyright} {ital 1998} {ital The American Physical Society}

  2. Thermodynamic study of complex formation between Kryptofix-5 and Sn2+ in several individual and binary non-aqueous solvents using a conductometric method

    NASA Astrophysics Data System (ADS)

    Khoshnood, Razieh Sanavi; Hatami, Elaheh

    2014-12-01

    The complex formation between 1,13-bis(8-quinolyl)-1,4,7,10,13-pentaoxatridecane (Kryptofix-5) and Sn2+ ions was studied in pure acetonitrile (AN), dimethylformamide (DMF), 1,4-dioxane (DOX), and methanol (MeOH) and in acetonitrile-1,4-dioxane (AN-DOX), acetonitrile-dichloromethane (AN-DCM), acetonitrile-methanol (AN-MeOH), and acetonitrile-dimethylformamide (AN-DMF) binary mixed solvent solutions at different temperatures using conductometric method. 1: 1 [ML] complex is formed between the metal cation and ligand in most solvent systems but in the cases of AN-MeOH (MeOH = 90 mol %) binary mixture and in pure MeOH a 2: 1 [M2L] complex was observed, that is the stoichiometry of complexes may be changed by the nature of the medium. The stability order of the (Kryptofix-5·Sn)2+ complex in the studied binary mixed solvent solutions at 25°C was found to be AN-DOX > AN-DCM > AN-MeOH > AN-DMF and in the case of pure solvents at 25°C the sequence was the following: AN > DMF > DOX. A non-linear behavior was observed for changes of log K f of (Kryptofix-5·Sn)2+ complex versus the composition of the binary mixed solvents, which was explained in terms of solvent-solvent intractions and also by the preferential solvation of the f species involved in the complexation reaction. The values of standard enthalpy changes (Δ Hc°) for complexation reactions were obtained from the slope of the Van't Hoff plots and the changes in standard entropy (Δ Sc°) were calculated from the relationship Δ Gc,298.15° = Δ Hc° - 298.15Δ Sc°. The results show that in most cases, the (Kryptofix-5·Sn)2+ complex is both enthalpy and entropy stabilized.

  3. Thermodynamic analysis of a possible CO{sub 2}-laser plant included in a heat engine cycle

    SciTech Connect

    Bisio, G.; Rubatto, G.

    1998-07-01

    In these last years, several plants have been realized in some industrialized countries to recover pressure exergy from various fluids. That has been done by means of suitable turbines in particular for blast-furnace top gas and natural gas. Various papers have examined the topic, considering pros and cons. High-power CO{sub 2}-lasers are being more and more widely used for welding, drilling and cutting in machine shops. In the near future different kinds of metal surface treatments will probably become routine practice with laser units. The industries benefiting most from high power lasers will be: the automotive industry, shipbuilding, the offshore industry, the aerospace industry, the nuclear and the chemical processing industries. Both degradation and cooling problems may be alleviated by allowing the gas to flow through the laser tube and by reducing its pressure outside this tube. Thus, a thermodynamic analysis on high-power CO{sub 2}-lasers with particular reference to a possible energy recovery is justified. In previous papers the critical examination of the concept of efficiency has led one of the present authors to the definition of an operational domain in which the process can be achieved. This domain is confined by regions of no entropy production (upper limit) and no useful effects (lower limit). On the basis of these concepts and of what has been done for pressure exergy recovery from other fluids, exergy investigations and an analysis of losses are performed for a cyclic process including a high performance CO2 laser. Thermodynamic analysis of flow processes in a CO{sub 2}-laser plant shows that the inclusion of a turbine in this plant allows us to recover the most part of the exergy necessary for the compressor; in addition, the water consumption for the refrigeration in the heat exchanger is reduced.

  4. Thermodynamic modeling of the phase behavior of binary systems of ionic liquids and carbon dioxide with the group contribution equation of state.

    PubMed

    Breure, Bianca; Bottini, Susana B; Witkamp, Geert-Jan; Peters, Cor J

    2007-12-27

    The group contribution equation of state (GC-EOS) was applied to predict the phase behavior of binary systems of ionic liquids of the homologous families 1-alkyl-3-methylimidazolium hexafluorophosphate and tetrafluoroborate with CO2. Pure group parameters for the new ionic liquid functional groups [-mim][PF6] and [-mim][BF4] and interaction parameters between these groups and the paraffin (CH3, CH2) and CO2 groups were estimated. The GC-EOS extended with the new parameters was applied to predict high-pressure phase equilibria in binary mixtures of the ionic liquids [emim][PF6], [bmim][PF6], [hmim][PF6], [bmim][BF4], [hmim][BF4], and [omim][BF4] with CO2. The agreement between experimental and predicted bubble point data for the ionic liquids was excellent for pressures up to 20 MPa, and even for pressures up to about 100 MPa, the agreement was good. The results show the capability of the GC-EOS to describe phase equilibria of systems consisting of ionic liquids.

  5. Thermodynamic analysis of a geopressured geothermal hybrid wellhead power system. Final report

    SciTech Connect

    Chang, I.; Williams, J.R.

    1985-01-01

    This research project is designed to evaluate the performance and operating characteristics of hybrid power cycles applied to geopressured and geothermal resources. The power systems evaluated are from the EPRI geopressured wellheat project and data used for the analysis are from the Pleasant Bayou well site. Three types of hybrid power systems are analyzed thermodynamically. They are (A) the single flash system, (B) the double flash system, and (C) the binary system. The studies of the first two systems are more extensive than the third one, although the binary system is the one chosen for testing at the Pleasant Bayou well site.

  6. Thermodynamic Analysis of the Use a Chemical Heat Pump to Link a Supercritical Water-Cooled Nuclear Reactor and a Thermochemical Water-Splitting Cycle for Hydrogen Production

    NASA Astrophysics Data System (ADS)

    Granovskii, Mikhail; Dincer, Ibrahim; Rosen, Marc A.; Pioro, Igor

    Increases in the power generation efficiency of nuclear power plants (NPPs) are mainly limited by the permissible temperatures in nuclear reactors and the corresponding temperatures and pressures of the coolants in reactors. Coolant parameters are limited by the corrosion rates of materials and nuclear-reactor safety constraints. The advanced construction materials for the next generation of CANDU reactors, which employ supercritical water (SCW) as a coolant and heat carrier, permit improved “steam” parameters (outlet temperatures up to 625°C and pressures of about 25 MPa). An increase in the temperature of steam allows it to be utilized in thermochemical water splitting cycles to produce hydrogen. These methods are considered by many to be among the most efficient ways to produce hydrogen from water and to have advantages over traditional low-temperature water electrolysis. However, even lower temperature water splitting cycles (Cu-Cl, UT-3, etc.) require an intensive heat supply at temperatures higher than 550-600°C. A sufficient increase in the heat transfer from the nuclear reactor to a thermochemical water splitting cycle, without jeopardizing nuclear reactor safety, might be effectively achieved by application of a heat pump, which increases the temperature of the heat supplied by virtue of a cyclic process driven by mechanical or electrical work. Here, a high-temperature chemical heat pump, which employs the reversible catalytic methane conversion reaction, is proposed. The reaction shift from exothermic to endothermic and back is achieved by a change of the steam concentration in the reaction mixture. This heat pump, coupled with the second steam cycle of a SCW nuclear power generation plant on one side and a thermochemical water splitting cycle on the other, increases the temperature of the “nuclear” heat and, consequently, the intensity of heat transfer into the water splitting cycle. A comparative preliminary thermodynamic analysis is conducted

  7. Thermodynamics of Resource Recycling.

    ERIC Educational Resources Information Center

    Hauserman, W. B.

    1988-01-01

    Evaluates the overall economic efficiency of a closed resource cycle. Uses elementary thermodynamic definitions of overall thermal efficiency for determining an economically quantifiable basis. Selects aluminum for investigation and includes a value-entropy diagram for a closed aluminum cycle. (MVL)

  8. Thermodynamics of Resource Recycling.

    ERIC Educational Resources Information Center

    Hauserman, W. B.

    1988-01-01

    Evaluates the overall economic efficiency of a closed resource cycle. Uses elementary thermodynamic definitions of overall thermal efficiency for determining an economically quantifiable basis. Selects aluminum for investigation and includes a value-entropy diagram for a closed aluminum cycle. (MVL)

  9. Computer code for single-point thermodynamic analysis of hydrogen/oxygen expander-cycle rocket engines

    NASA Technical Reports Server (NTRS)

    Glassman, Arthur J.; Jones, Scott M.

    1991-01-01

    This analysis and this computer code apply to full, split, and dual expander cycles. Heat regeneration from the turbine exhaust to the pump exhaust is allowed. The combustion process is modeled as one of chemical equilibrium in an infinite-area or a finite-area combustor. Gas composition in the nozzle may be either equilibrium or frozen during expansion. This report, which serves as a users guide for the computer code, describes the system, the analysis methodology, and the program input and output. Sample calculations are included to show effects of key variables such as nozzle area ratio and oxidizer-to-fuel mass ratio.

  10. First-principles calculations of phonon and thermodynamic properties in the boron-alkaline earth metal binary systems: B-Ca, B-Sr, and B-Ba

    NASA Astrophysics Data System (ADS)

    Shang, Shunli; Wang, Yi; Liu, Zi-Kui

    2007-01-01

    The phonon and thermodynamic properties of the divalent alkaline-earth hexaborides, MB6 ( M=Ca , Sr, Ba), and the reference elements α-B , fcc-Ca, fcc-Sr, and bcc-Ba are investigated on the basis of first-principles projector augmented wave method together with the quasiharmonic phonon calculations. The calculated phonon dispersion relations by using the supercell approach are in good agreements with those obtained by the inelastic neutron scattering, Raman scattering, and infrared absorption. The experimentally revealed anomalous behaviors of phonon dispersions in the alkaline-earth metals are correctly predicted; i.e., for both fcc-Ca and fcc-Sr, the frequency of the lower transverse [ξξ0] branch exhibits slightly positive dispersion, and for bcc-Ba the frequency of the longitudinal branch along the [ξ00] direction is lower than that of the transverse branch. These anomalous phenomena can be traced back to the effect of d electron. The predicted phonon dispersion relations among CaB6 , SrB6 , and BaB6 show similar features except that the frequencies decrease from CaB6 , SrB6 , to BaB6 due to the influence of mass. It is also found that the low frequency T1u modes of CaB6 , SrB6 , and BaB6 have large LO/TO splitting (greater than 5THz ). To that end, the finite temperature thermodynamic properties (entropy, enthalpy, and Gibbs energy) of MB6 ( M=Ca , Sr, Ba) and elements B, Ca, Sr, and Ba are calculated; herein, both the electronic and phonon contributions are considered. This work indicates that the difference of the enthalpies of formation of CaB6 , SrB6 , and BaB6 is small (less than 4kJ/mol instead of the measured 30kJ/mol ), which agrees with the facts that they possess the similar phonon dispersion relations, melting temperatures, bulk moduli, and Debye temperatures.

  11. KEPLER CYCLE 1 OBSERVATIONS OF LOW-MASS STARS: NEW ECLIPSING BINARIES, SINGLE STAR ROTATION RATES, AND THE NATURE AND FREQUENCY OF STARSPOTS

    SciTech Connect

    Harrison, T. E.; Coughlin, J. L.; Ule, N. M.; Lopez-Morales, M. E-mail: jlcough@nmsu.edu E-mail: mlopez@ieec.uab.es

    2012-01-15

    We have analyzed Kepler light curves for 849 stars with T{sub eff} {<=} 5200 K from our Cycle 1 Guest Observer program. We identify six new eclipsing binaries, one of which has an orbital period of 29.91 days and two of which are probably W UMa variables. In addition, we identify a candidate 'warm Jupiter' exoplanet. We further examine a subset of 670 sources for variability. Of these objects, 265 stars clearly show periodic variability that we assign to rotation of the low-mass star. At the photometric precision level provided by Kepler, 251 of our objects showed no evidence for variability. We were unable to determine periods for 154 variable objects. We find that 79% of stars with T{sub eff} {<=} 5200 K are variable. The rotation periods we derive for the periodic variables span the range 0.31 days {<=} P{sub rot} {<=} 126.5 days. A considerable number of stars with rotation periods similar to the solar value show activity levels that are 100 times higher than the Sun. This is consistent with results for solar-like field stars. As has been found in previous studies, stars with shorter rotation periods generally exhibit larger modulations. This trend flattens beyond P{sub rot} = 25 days, demonstrating that even long-period binaries may still have components with high levels of activity and investigating whether the masses and radii of the stellar components in these systems are consistent with stellar models could remain problematic. Surprisingly, our modeling of the light curves suggests that the active regions on these cool stars are either preferentially located near the rotational poles, or that there are two spot groups located at lower latitudes, but in opposing hemispheres.

  12. Thermodynamic modeling of the C(CH2OH)4-(NH2)(CH3)C(CH2OH)2 binary system

    SciTech Connect

    Chellappa, Raja; Russell, Renee; Chandra, Dhanesh

    2004-10-12

    A new calculated phase diagram of pentaerythritol [PE:P C(CH2OH)4]-2-amino-2-methyl-1,3-propanediol [AMPL: (NH2)(CH3)C(CH2OH)2 ] 'plastic crystals' is presented. The low temperature PE-rich * phase has a tetragonal structure whereas the AMPL-rich * phase has a monoclinic structure. Upon heating, these low temperature * or * phases transform to a high temperature * or *' plastic crystal phases. The PE-rich * phase has an FCC structure and the AMPL-rich *' phase has a BCC structure. The system exhibits complex behavior with one low temperature peritectoid, a high temperature eutectoid, and a peritectic. The * and * phases are assumed to be regular solutions and the plastic crystal phases (* and *') are described using sub-regular solution models. The optimization for excess Gibbs energy parameters was perfomred using Thermo-Calc (TCC) software. The magnitudes of the interaction parameters are relatively large compared to those for similar plastic crystal binary systems.

  13. Molecular Aggregation in Binary Mixtures of Pyrrolidine, N-Methylpyrrolidine, Piperidine, and N-Methylpiperidine with Water: Thermodynamic, SANS and Theoretical Studies.

    PubMed

    Marczak, Wojciech; Varfolomeev, Mikhail A; Rakipov, Ilnaz T; Lodowski, Piotr; Kowalska-Szojda, Katarzyna; Łężniak, Marta; Almasy, Laszlo; Len, Adél

    2017-03-21

    Piperidine and N-methylpiperidine hydrates aggregate in liquid aqueous solutions due to hydrogen bonds between hydration water molecules. No such effects occur in the mixtures of the amines with methanol, that supports the idea of active role of water solvent in the aggregation. However, the question of contributions in thermodynamic functions due to specific interactions, van der Waals forces, and the size and shape of the molecules remains open. In the present study, limiting partial molar enthalpies of solution of pyrrolidine, N-methylpyrrolidine, piperidine and N-methylpiperidine in water and methanol and vice versa were measured and compared with those assessed from theoretically calculated molecular interaction energies using a simple "chemical reaction" model. Nearly quantitative agreement of the enthalpies was achieved for the systems studied, except the amines in water. The latter required an empirical hydrophobic hydration term to be considered. The hydrogen bonds formation and breaking which accompany the mixtures formation leads to considerable excess volumes, while the size of the solute molecules is manifested rather in the compressibility of aqueous solutions. SANS evidenced that aqueous solutions are microheterogeneous on the nanometer-order length scale. The propensity to promote phase separation increases in the order: N-methylpiperidine < N-methylpyrrolidine < piperidine < pyrrolidine.

  14. Starspot evolution, differential rotation, and magnetic cycles in the chromospherically active binaries lambda andromedae, sigma Geminorum, II Pegasi, and V711 Tauri

    NASA Technical Reports Server (NTRS)

    Henry, Gregory W.; Eaton, Joel A.; Hamer, Jamesia; Hall, Douglas S.

    1995-01-01

    We have analyzed 15-19 yr of photoelectric photometry, obtained manually and with automated telescopes, of the chromospherically active binaries lambda And, sigma Gem, II Peg, and V711 Tau. These observations let us identify individual dark starspots on the stellar surfaces from periodic dimming of the starlight, follow the evolution of these spots, and search for long-term cyclic changes in the properties of these starspots that might reveal magnetic cycles analogous to the Sun's 11 yr sunspot cycle. We developed a computer code to fit a simple two-spot model to our observed light curves that allows us to extract the most easily determinable and most reliable spot parameters from the light curves, i.e., spot longitudes and radii. We then used these measured properties to identify individual spots and to chart their life histories by constructing migration and amplitude curves. We identified and followed 11 spots in lambda And, 16 in sigma Gem, 12 in II Peg, and 15 in V711 Tau. Lifetimes of individual spots ranged from a few months to longer than 6 yr. Differential rotation coefficients, estimated from the observed range of spot rotation periods for each star and defined by equation (2), were 0.04 for lambda And, 0.038 for sigma Gem, 0.005 for II Peg, and 0.006 for V711 Tau, versus 0.19 for the Sun. We searched for cyclic changes in mean brightness, B-V color index, and spot rotation period as evidence for long-term cycles. Of these, long-term variability in mean brightness appears to offer the best evidence for such cycles in these four stars. Cycles of 11.1 yr for lambda And, 8.5 yr for sigma Gem, 11 yr for II Peg, and 16 yr V711 Tau are implied by these mean brightness changes. Cyclic changes in spot rotation period were found in lambda And and possibly II Peg. Errors in B-V were too large for any long-term changes to be detectable.

  15. Refuse Derived Fuel (RDF) production and gasification in a pilot plant integrated with an Otto cycle ICE through Aspen plus™ modelling: Thermodynamic and economic viability.

    PubMed

    Násner, Albany Milena Lozano; Lora, Electo Eduardo Silva; Palacio, José Carlos Escobar; Rocha, Mateus Henrique; Restrepo, Julian Camilo; Venturini, Osvaldo José; Ratner, Albert

    2017-08-07

    This work deals with the development of a Refuse Derived Fuel (RDF) gasification pilot plant using air as a gasification agent. A downdraft fixed bed reactor is integrated with an Otto cycle Internal Combustion Engine (ICE). Modelling was carried out using the Aspen Plus™ software to predict the ideal operational conditions for maximum efficiency. Thermodynamics package used in the simulation comprised the Non-Random Two-Liquid (NRTL) model and the Hayden-O'Connell (HOC) equation of state. As expected, the results indicated that the Equivalence Ratio (ER) has a direct influence over the gasification temperature and the composition of the Raw Produced Gas (RPG), and effects of ER over the Lower Heating Value (LHV) and Cold Gasification Efficiency (CGE) of the RPG are also discussed. A maximum CGE efficiency of 57-60% was reached for ER values between 0.25 and 0.3, also an average reactor temperature values in the range of 680-700°C, with a peak LHV of 5.8MJ/Nm(3). RPG was burned in an ICE, reaching an electrical power of 50kWel. The economic assessment of the pilot plant implementation was also performed, showing the project is feasible, with power above 120kWel with an initial investment of approximately US$ 300,000. Copyright © 2017 Elsevier Ltd. All rights reserved.

  16. Geothermal power plant R and D: an analysis of cost-performance tradeoffs and the Heber Binary-Cycle Demonstration Project

    SciTech Connect

    Cassel, T.A.V.; Amundsen, C.B.; Blair, P.D.

    1983-06-30

    A study of advancements in power plant designs for use at geothermal resources in the low to moderate (300 to 400F) temperature range is reported. In 3 case studies, the benefits of R and D to achieve these advancements are evaluated in terms of expected increases in installed geothermal generating capacity over the next 2 decades. A parametric sensitivity study is discussed which analyzes differential power development for combinations of power plant efficiency and capitol cost. Affordable tradeoffs between plant performance and capital costs are illustrated. The independent review and analysis of the expected costs of construction, operation and maintenance of the Heber Binary Cycle Geothermal Power Demonstration Plant are described. Included in this assessment is an analysis of each of the major cost components of the project, including (1) construction cost, (2) well field development costs, (3) fluid purchase costs, and (4) well field and power plant operation and maintenance costs. The total cost of power generated from the Heber Plant (in terms of mills per kWh) is then compared to the cost of power from alternative fossil-fueled base load units. Also evaluated are the provisions of both: (a) the Cooperative Agreement between the federal government and San Diego Gas and Electric (SDG and E); and (b) the Geothermal Heat Sales Contract with Union Oil Company.

  17. Electrochemical thermodynamic measurement system

    DOEpatents

    Reynier, Yvan; Yazami, Rachid; Fultz, Brent T.

    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.

  18. Development of New Thermodynamic Cycles

    SciTech Connect

    D. Yogi Goswami

    2002-04-30

    In general, optimization is a way to find the best solution to a problem of any kind. We do a lot of optimization in our daily life. For example, we always search for the best product, which meets our demands, with the lowest possible price. In engineering, optimization is a very powerful tool. There is usually more than one acceptable solution to an engineering problem. The goal of an engineer is to find the best one. When there are more than a few acceptable solutions, it may be simply impossible to compare them by hand. More sophisticated mathematical methods have been developed to help find the best solution.

  19. Thermodynamic Diagrams

    NASA Astrophysics Data System (ADS)

    Chaston, Scot

    1999-02-01

    Thermodynamic data such as equilibrium constants, standard cell potentials, molar enthalpies of formation, and standard entropies of substances can be a very useful basis for an organized presentation of knowledge in diverse areas of applied chemistry. Thermodynamic data can become particularly useful when incorporated into thermodynamic diagrams that are designed to be easy to recall, to serve as a basis for reconstructing previous knowledge, and to determine whether reactions can occur exergonically or only with the help of an external energy source. Few students in our chemistry-based courses would want to acquire the depth of knowledge or rigor of professional thermodynamicists. But they should nevertheless learn how to make good use of thermodynamic data in their professional occupations that span the chemical, biological, environmental, and medical laboratory fields. This article discusses examples of three thermodynamic diagrams that have been developed for this purpose. They are the thermodynamic energy account (TEA), the total entropy scale, and the thermodynamic scale diagrams. These diagrams help in the teaching and learning of thermodynamics by bringing the imagination into the process of developing a better understanding of abstract thermodynamic functions, and by allowing the reader to keep track of specialist thermodynamic discourses in the literature.

  20. Phase relations in the system NaCl-KCl-H2O: IV. Differential thermal analysis of the sylvite liquidus in the KCl-H2O binary, the liquidus in the NaCl-KCl-H2O ternary, and the solidus in the NaCl-KCl binary to 2 kb pressure, and a summary of experimental data for thermodynamic-PTX analysis of solid-liquid equilibria at elevated P-T conditions

    USGS Publications Warehouse

    Chou, I.-Ming; Sterner, S.M.; Pitzer, Kenneth S.

    1992-01-01

    The sylvite liquidus in the binary system KCl-H2O and the liquidus in the ternary system NaCl-KCl-H2O were determined by using isobaric differential thermal analysis (DTA) cooling scans at pressures up to 2 kbars. Sylvite solubilities along the three-phase curve in the binary system KCl-H2O were obtained by the intersection of sylvite-liquidus isopleths with the three-phase curve in a P-T plot. These solubility data can be represented by the equation Wt.% KCl (??0.2) = 12.19 + 0.1557T - 5.4071 ?? 10-5 T2, where 400 ??? T ??? 770??C. These data are consistent with previous experimental observations. The solidus in the binary system NaCl-KCl was determined by using isobaric DTA heating scans at pressures up to 2 kbars. Using these liquidus and solidus data and other published information, a thermodynamic-PTX analysis of solid-liquid equilibria at high pressures and temperatures for the ternary system has been performed and is presented in an accompanying paper (Part V of this series). However, all experimental liquidus, solidus, and solvus data used in this analysis are summarized in this report (Part IV) and they are compared with the calculated values based on the analysis. ?? 1992.

  1. Binary Plutinos

    NASA Astrophysics Data System (ADS)

    Noll, Keith S.

    2015-08-01

    The Pluto-Charon binary was the first trans-neptunian binary to be identified in 1978. Pluto-Charon is a true binary with both components orbiting a barycenter located between them. The Pluto system is also the first, and to date only, known binary with a satellite system consisting of four small satellites in near-resonant orbits around the common center of mass. Seven other Plutinos, objects in 3:2 mean motion resonance with Neptune, have orbital companions including 2004 KB19 reported here for the first time. Compared to the Cold Classical population, the Plutinos differ in the frequency of binaries, the relative sizes of the components, and their inclination distribution. These differences point to distinct dynamical histories and binary formation processes encountered by Plutinos.

  2. Binary technetium halides

    NASA Astrophysics Data System (ADS)

    Johnstone, Erik Vaughan

    In this work, the synthetic and coordination chemistry as well as the physico-chemical properties of binary technetium (Tc) chlorides, bromides, and iodides were investigated. Resulting from these studies was the discovery of five new binary Tc halide phases: alpha/beta-TcCl3, alpha/beta-TcCl 2, and TcI3, and the reinvestigation of the chemistries of TcBr3 and TcX4 (X = Cl, Br). Prior to 2009, the chemistry of binary Tc halides was poorly studied and defined by only three compounds, i.e., TcF6, TcF5, and TcCl4. Today, ten phases are known (i.e., TcF6, TcF5, TcCl4, TcBr 4, TcBr3, TcI3, alpha/beta-TcCl3 and alpha/beta-TcCl2) making the binary halide system of Tc comparable to those of its neighboring elements. Technetium binary halides were synthesized using three methods: reactions of the elements in sealed tubes, reactions of flowing HX(g) (X = Cl, Br, and I) with Tc2(O2CCH3)4Cl2, and thermal decompositions of TcX4 (X = Cl, Br) and alpha-TcCl 3 in sealed tubes under vacuum. Binary Tc halides can be found in various dimensionalities such as molecular solids (TcF6), extended chains (TcF5, TcCl4, alpha/beta-TcCl2, TcBr 3, TcI3), infinite layers (beta-TcCl3), and bidimensional networks of clusters (alpha-TcCl3); eight structure-types with varying degrees of metal-metal interactions are now known. The coordination chemistry of Tc binary halides can resemble that of the adjacent elements: molybdenum and ruthenium (beta-TcCl3, TcBr3, TcI 3), rhenium (TcF5, alpha-TcCl3), platinum (TcCl 4, TcBr4), or can be unique (alpha-TcCl2 and beta-TcCl 2) in respect to other known transition metal binary halides. Technetium binary halides display a range of interesting physical properties that are manifested from their electronic and structural configurations. The thermochemistry of binary Tc halides is extensive. These compounds can selectively volatilize, decompose, disproportionate, or convert to other phases. Ultimately, binary Tc halides may find application in the nuclear fuel

  3. Binary stars.

    PubMed

    Paczynacuteski, B

    1984-07-20

    Most stars in the solar neighborhood are either double or multiple systems. They provide a unique opportunity to measure stellar masses and radii and to study many interesting and important phenomena. The best candidates for black holes are compact massive components of two x-ray binaries: Cygnus X-1 and LMC X-3. The binary radio pulsar PSR 1913 + 16 provides the best available evidence for gravitational radiation. Accretion disks and jets observed in close binaries offer a very good testing ground for models of active galactic nuclei and quasars.

  4. The Search for Trojan Binaries

    NASA Astrophysics Data System (ADS)

    Merline, William J.; Tamblyn, P. M.; Dumas, C.; Close, L. M.; Chapman, C. R.; Durda, D. D.; Levison, H. F.; Hamilton, D. P.; Nesvorny, D.; Storrs, A.; Enke, B.; Menard, F.

    2007-10-01

    We report on observations of Jupiter Trojan asteroids in search of binaries. We made observations using HST/ACS of 35 small (V = 17.5-19.5) objects in Cycle 14, without detecting any binaires. We have also observed a few dozen Trojans in our ground-based study of larger Trojans, discovering only one binary. The result is that the frequency of moderately-separated binaries among the Trojans seem rather low, likely less than 5%. Although we have only statistics of small numbers, it appears that the binary frequencies are more akin to the larger Main-Belt asteroids, than to the frequency in the TNO region, which probably exceeds 10%. The low frequency is inconsistent with the projections based on Trojan contact binaries by Mann et al. (2006, BAAS 38, 6509), although our work cannot detect very close or contact binaries. We discovered and characterized the orbit and density of the first Trojan binary, (617) Patroclus using the Gemini AO system (Merline et al. 2001 IAUC 7741). A second binary, (624) Hecktor, has now been reported by Marchis et al. (2006, IAUC 8732). In a broad survey of Main Belt asteroids, we found that, among the larger objects, the binary fraction is about 2%, while we are finding that the fraction is significantly higher among smaller asteroids (and this is even more apparent from lightcurve discoveries). Further, characteristics of these smaller systems indicate a distinctly different formation mechanism the the larger MB binaries. Because the Trojans have compositions that are more like the KBOs, while they live in a collisional environment much more like the Main Belt than the KBOs, these objects should hold vital clues to binary formation mechanics. And because there seems to be a distinct difference in larger and smaller main-belt binaries, we sought to detect such differences among the Trojans as well.

  5. Thermodynamic holography

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

    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.

  6. Signature Visualization of Software Binaries

    SciTech Connect

    Panas, T

    2008-07-01

    In this paper we present work on the visualization of software binaries. In particular, we utilize ROSE, an open source compiler infrastructure, to pre-process software binaries, and we apply a landscape metaphor to visualize the signature of each binary (malware). We define the signature of a binary as a metric-based layout of the functions contained in the binary. In our initial experiment, we visualize the signatures of a series of computer worms that all originate from the same line. These visualizations are useful for a number of reasons. First, the images reveal how the archetype has evolved over a series of versions of one worm. Second, one can see the distinct changes between version. This allows the viewer to form conclusions about the development cycle of a particular worm.

  7. Cycle Analysis

    SciTech Connect

    Wright, Steven A.

    2012-03-20

    1. The Cycle Analysis code is an Microsoft Excel code that performs many different types of thermodynamic cycle analysis for power producing systems. The code will calculate the temperature and pressure and all other thermodynamic properties at the inlet and outlet of each component. The code also calculates the power that is produced, the efficiency, and the heat transported in the heater, gas chiller and recuperators. The code provides a schematic of the loop and provides the temperature and pressure at each location in the loop. The code also provides a T-S (temperature-entropy) diagram of the loop and often it provides an pressure enthalpy plot as well. 2. This version of the code concentrates on supercritical CO2 power cycles, but by simply changing the name of the working fluid many other types of fluids can be analyzed. The Cycle Analysis code provided here contains 18 different types of power cycles. Each cycle is contained in one worksheet or tab that the user can select. The user can change the yellow highlighted regions to perform different thermodynamic cycle analysis.

  8. Stochastic thermodynamics

    NASA Astrophysics Data System (ADS)

    Eichhorn, Ralf; Aurell, Erik

    2014-04-01

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

  9. Thermodynamic cost of computation, algorithmic complexity and the information metric

    NASA Technical Reports Server (NTRS)

    Zurek, W. H.

    1989-01-01

    Algorithmic complexity is discussed as a computational counterpart to the second law of thermodynamics. It is shown that algorithmic complexity, which is a measure of randomness, sets limits on the thermodynamic cost of computations and casts a new light on the limitations of Maxwell's demon. Algorithmic complexity can also be used to define distance between binary strings.

  10. Thermodynamic evaluation of mass diffusion in ionic mixtures

    SciTech Connect

    Kagan, Grigory; Tang, Xian-Zhu

    2014-02-15

    The thermodynamic technique of Landau and Lifshitz originally developed for inter-species diffusion in a binary neutral gas mixture is extended to a quasi-neutral plasma with two ion species. It is shown that, while baro- and electro-diffusion coefficients depend on the choice of the thermodynamic system, prediction for the total diffusive mass flux is invariant.

  11. Thermodynamic cost of computation, algorithmic complexity and the information metric

    NASA Technical Reports Server (NTRS)

    Zurek, W. H.

    1989-01-01

    Algorithmic complexity is discussed as a computational counterpart to the second law of thermodynamics. It is shown that algorithmic complexity, which is a measure of randomness, sets limits on the thermodynamic cost of computations and casts a new light on the limitations of Maxwell's demon. Algorithmic complexity can also be used to define distance between binary strings.

  12. A review of the remote sensing of lower tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles: REMOTE SENSING OF THERMODYNAMIC PROFILES

    SciTech Connect

    Wulfmeyer, Volker; Hardesty, R. Michael; Turner, David D.; Behrendt, Andreas; Cadeddu, Maria P.; Di Girolamo, Paolo; Schlüssel, Peter; Van Baelen, Joël; Zus, Florian

    2015-08-27

    A review of remote sensing technology for lower tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer—usually characterized by an inversion—and the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global navigation satellite system, as well as water vapor and temperature Raman lidar and water vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.

  13. Binary Planets

    NASA Astrophysics Data System (ADS)

    Ryan, Keegan; Nakajima, Miki; Stevenson, David J.

    2014-11-01

    Can a bound pair of similar mass terrestrial planets exist? We are interested here in bodies with a mass ratio of ~ 3:1 or less (so Pluto/Charon or Earth/Moon do not qualify) and we do not regard the absence of any such discoveries in the Kepler data set to be significant since the tidal decay and merger of a close binary is prohibitively fast well inside of 1AU. SPH simulations of equal mass “Earths” were carried out to seek an answer to this question, assuming encounters that were only slightly more energetic than parabolic (zero energy). We were interested in whether the collision or near collision of two similar mass bodies would lead to a binary in which the two bodies remain largely intact, effectively a tidal capture hypothesis though with the tidal distortion being very large. Necessarily, the angular momentum of such an encounter will lead to bodies separated by only a few planetary radii if capture occurs. Consistent with previous work, mostly by Canup, we find that most impacts are disruptive, leading to a dominant mass body surrounded by a disk from which a secondary forms whose mass is small compared to the primary, hence not a binary planet by our adopted definition. However, larger impact parameter “kissing” collisions were found to produce binaries because the dissipation upon first encounter was sufficient to provide a bound orbit that was then rung down by tides to an end state where the planets are only a few planetary radii apart. The long computational times for these simulation make it difficult to fully map the phase space of encounters for which this outcome is likely but the indications are that the probability is not vanishingly small and since planetary encounters are a plausible part of planet formation, we expect binary planets to exist and be a non-negligible fraction of the larger orbital radius exoplanets awaiting discovery.

  14. Structure Map for Embedded Binary Alloy Nanocrystals

    SciTech Connect

    Yuan, C.W.; Shin, S.J.; Liao, C.Y.; Guzman, J.; Stone, P.R.; Watanabe, M.; Ager III, J.W.; Haller, E.E.; Chrzan, D.C.

    2008-09-20

    The equilibrium structure of embedded nanocrystals formed from strongly segregating binary-alloys is considered within a simple thermodynamic model. The model identifies two dimensionlessinterface energies that dictate the structure, and allows prediction of the stable structure for anychoice of these parameters. The resulting structure map includes three distinct nanocrystal mor-phologies: core/shell, lobe/lobe, and completely separated spheres.

  15. Approaching the Post-Newtonian Regime with Numerical Relativity: A Compact-Object Binary Simulation Spanning 350 Gravitational-Wave Cycles.

    PubMed

    Szilágyi, Béla; Blackman, Jonathan; Buonanno, Alessandra; Taracchini, Andrea; Pfeiffer, Harald P; Scheel, Mark A; Chu, Tony; Kidder, Lawrence E; Pan, Yi

    2015-07-17

    We present the first numerical-relativity simulation of a compact-object binary whose gravitational waveform is long enough to cover the entire frequency band of advanced gravitational-wave detectors, such as LIGO, Virgo, and KAGRA, for mass ratio 7 and total mass as low as 45.5M_{⊙}. We find that effective-one-body models, either uncalibrated or calibrated against substantially shorter numerical-relativity waveforms at smaller mass ratios, reproduce our new waveform remarkably well, with a negligible loss in detection rate due to modeling error. In contrast, post-Newtonian inspiral waveforms and existing calibrated phenomenological inspiral-merger-ringdown waveforms display greater disagreement with our new simulation. The disagreement varies substantially depending on the specific post-Newtonian approximant used.

  16. Planetary systems in binaries

    NASA Astrophysics Data System (ADS)

    Takeda, Genya

    and secular binary perturbations. A planet that has gained a large orbital eccentricity through the Kozai cycles will eventually lose its angular momentum into stellar tides during the repeated close pericenter passages and result in a tight, nearly circular orbit around the central star. Such an orbital migration process triggered by a stellar companion may be quite common for multiple- planet systems, and close-in planets formed in this way may have unique orbital characteristics that can be identified by observations.

  17. Thermodynamic optimization under topological constraints

    NASA Astrophysics Data System (ADS)

    Balakumar, Thevika

    , inflection points on a phase boundary may appear when a pure solid component or a stoichiometric binary phase is in equilibrium with the ideal binary solution, which is internally stable. Finally, in addition to the theoretical analysis on undulate phase boundaries, a thermodynamic optimization is done on an imaginary A-B binary system subjected to topological constraints. Since, Thermo-Calc does not have the necessary tools to implement such topological constraints as d 2T/dx2>0 or d2T/dx2<0. A Fortran 90 program was developed to make use of these constraints.

  18. Descriptive thermodynamics

    NASA Astrophysics Data System (ADS)

    Ford, David; Huntsman, Steven

    2006-06-01

    Thermodynamics (in concert with its sister discipline, statistical physics) can be regarded as a data reduction scheme based on partitioning a total system into a subsystem and a bath that weakly interact with each other. Whereas conventionally, the systems investigated require this form of data reduction in order to facilitate prediction, a different problem also occurs, in the context of communication networks, markets, etc. Such “empirically accessible” systems typically overwhelm observers with the sort of information that in the case of (say) a gas is effectively unobtainable. What is required for such complex interacting systems is not prediction (this may be impossible when humans besides the observer are responsible for the interactions) but rather, description as a route to understanding. Still, the need for a thermodynamical data reduction scheme remains. In this paper, we show how an empirical temperature can be computed for finite, empirically accessible systems, and further outline how this construction allows the age-old science of thermodynamics to be fruitfully applied to them.

  19. Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.

    ERIC Educational Resources Information Center

    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)

  20. Thermodynamic Analysis of Ionic Compounds: Synthetic Applications.

    ERIC Educational Resources Information Center

    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)

  1. Energy Conversion Alternatives Study (ECAS), Westinghouse phase 1. Volume 4: Open recuperated and bottomed gas turbine cycles. [performance prediction and energy conversion efficiency of gas turbines in electric power plants (thermodynamic cycles)

    NASA Technical Reports Server (NTRS)

    Amos, D. J.; Grube, J. E.

    1976-01-01

    Open-cycle recuperated gas turbine plant with inlet temperatures of 1255 to 1644 K (1800 to 2500 F) and recuperators with effectiveness values of 0, 70, 80 and 90% are considered. A 1644 K (2500 F) gas turbine would have a 33.5% plant efficiency in a simple cycle, 37.6% in a recuperated cycle and 47.6% when combined with a sulfur dioxide bottomer. The distillate burning recuperated plant was calculated to produce electricity at a cost of 8.19 mills/MJ (29.5 mills/kWh). Due to their low capital cost $170 to 200 $/kW, the open cycle gas turbine plant should see duty for peaking and intermediate load duty.

  2. The Formation of Contact and Very Close Binaries

    SciTech Connect

    Kisseleva-Eggleton, L; Eggleton, P P

    2007-08-10

    We explore the possibility that all close binaries, i.e. those with periods {approx}< 3 d, including contact (W UMa) binaries, are produced from initially wider binaries (periods of say 10's of days) by the action of a triple companion through the medium of Kozai Cycles with Tidal Friction (KCTF).

  3. Autonomous quantum thermodynamic machines

    NASA Astrophysics Data System (ADS)

    Tonner, Friedemann; Mahler, Günter

    2005-12-01

    We investigate the dynamics of a quantum system consisting of a single spin coupled to an oscillator and sandwiched between two thermal baths at different temperatures. By means of an adequately designed Lindblad equation, it is shown that this device can function as a thermodynamic machine exhibiting Carnot-type cycles. For the present model, this means that when run as a heat engine, coherent motion of the oscillator is amplified. Contrary to the quantum computer, such a machine has a quantum as well as a classical limit. Away from the classical limit, it asymptotically approaches a stationary transport scenario.

  4. Nanoscopic Thermodynamics.

    PubMed

    Qi, Weihong

    2016-09-20

    Conventional thermodynamics for bulk substances encounters challenges when one considers materials on the nanometer scale. Quantities such as entropy, enthalpy, free energy, melting temperature, ordering temperature, Debye temperature, and specific heat no longer remain constant but change with the crystal dimension, size, and morphology. Often, one phenomenon is associated with a variety of theories from different perspectives. Still, a model that can reconcile the size and shape dependence of the thermal properties of the nanoscaled substances remains one of the goals of nanoscience and nanotechnology. This Account highlights the nanoscopic thermodynamics for nanoparticles, nanowires, and nanofilms, with particular emphasis on the bond energy model. The central idea is that the atomic cohesive energy determines the thermodynamic performance of a substance and the cohesive energy varies with the atomic coordination environment. It is the cohesive energy difference between the core and the shell that dictates the nanoscopic thermodynamics. This bond energy model rationalizes the following: (i) how the surface dangling bonds depress the melting temperature, entropy, and enthalpy; (ii) how the order-disorder transition of the nanoparticles depends on particle size and how their stability may vary when they are embedded in an appropriate matrix; (iii) predictions of the existence of face-centered cubic structures of Ti, Zr, and Hf at small size; (iv) how two elements that are immiscible in the bulk can form an alloy on the nanoscale, where the critical size can be predicted. The model has enabled us to reproduce the size and shape dependence of a number of physical properties, such as melting temperature, melting entropy, melting enthalpy, ordering temperature, Gibbs free energy, and formation heat, among others, for materials such as Pd, Au, Ag, Cu, Ni, Sn, Pb, In, Bi, Al, Ti, Zr, Hf, In-Al, Ag-Ni, Co-Pt, Cu-Ag, Cu-Ni, Au-Ni, Ag-Pt, and Au-Pt on the nanometer scale

  5. A review of the remote sensing of lower-tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles

    DOE PAGES

    Wulfmeyer, Volker; Hardesty, Mike; Turner, David D.; ...

    2015-07-08

    A review of remote sensing technology for lower-tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land-surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer – usually characterized by an inversion – andmore » the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global positioning system as well as water-vapor and temperature Raman lidar and water-vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.« less

  6. A review of the remote sensing of lower-tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles

    SciTech Connect

    Wulfmeyer, Volker; Hardesty, Mike; Turner, David D.; Behrendt, Andreas; Cadeddu, Maria; Di Girolamo, Paolo; Schlüssel, Peter; van Baelen, Joël; Zus, Florian

    2015-07-08

    A review of remote sensing technology for lower-tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land-surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer – usually characterized by an inversion – and the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global positioning system as well as water-vapor and temperature Raman lidar and water-vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.

  7. A review of the remote sensing of lower tropospheric thermodynamic profiles and its indispensable role for the understanding and the simulation of water and energy cycles

    NASA Astrophysics Data System (ADS)

    Wulfmeyer, Volker; Hardesty, R. Michael; Turner, David D.; Behrendt, Andreas; Cadeddu, Maria P.; Di Girolamo, Paolo; Schlüssel, Peter; Van Baelen, Joël.; Zus, Florian

    2015-09-01

    A review of remote sensing technology for lower tropospheric thermodynamic (TD) profiling is presented with focus on high accuracy and high temporal-vertical resolution. The contributions of these instruments to the understanding of the Earth system are assessed with respect to radiative transfer, land surface-atmosphere feedback, convection initiation, and data assimilation. We demonstrate that for progress in weather and climate research, TD profilers are essential. These observational systems must resolve gradients of humidity and temperature in the stable or unstable atmospheric surface layer close to the ground, in the mixed layer, in the interfacial layer—usually characterized by an inversion—and the lower troposphere. A thorough analysis of the current observing systems is performed revealing significant gaps that must be addressed to fulfill existing needs. We analyze whether current and future passive and active remote sensing systems can close these gaps. A methodological analysis and demonstration of measurement capabilities with respect to bias and precision is executed both for passive and active remote sensing including passive infrared and microwave spectroscopy, the global navigation satellite system, as well as water vapor and temperature Raman lidar and water vapor differential absorption lidar. Whereas passive remote sensing systems are already mature with respect to operational applications, active remote sensing systems require further engineering to become operational in networks. However, active remote sensing systems provide a smaller bias as well as higher temporal and vertical resolutions. For a suitable mesoscale network design, TD profiler system developments should be intensified and dedicated observing system simulation experiments should be performed.

  8. Binary nucleation at low temperatures

    NASA Technical Reports Server (NTRS)

    Zahoransky, R. A.; Peters, F.

    1985-01-01

    The onset of homogeneous condensation of binary vapors in the supersaturated state is studied in ethanol/n-propanol and water/ethanol via their unsteady expansion in a shock tube at temperatures below 273 K. Ethanol/n-propanol forms a nearly ideal solution, whereas water/ethanol is an example of a strongly nonideal mixture. Vapor mixtures of various compositions are diluted in dry air at small mole fractions and expanded in the driver section from room temperature. The onset of homogeneous condensation is detected optically and the corresponding thermodynamic state is evaluated. The experimental results are compared with the binary nucleation theory, and the particular problems of theoretical evaluation at low temperatures are discussed.

  9. Thermodynamic theory of equilibrium fluctuations

    SciTech Connect

    Mishin, Y.

    2015-12-15

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

  10. Long-term effects of binary mixtures of 17α-ethinyl estradiol and dibutyl phthalate in a partial life-cycle test with zebrafish (Danio rerio).

    PubMed

    Chen, Pengyu; Li, Song; Liu, Lei; Xu, Nan

    2015-03-01

    Using 17α-ethinyl estradiol (EE2) and dibutyl phthalate (DBP) as a typical estrogen and phthalate ester, respectively, their combined in vivo effects on zebrafish (Danio rerio) were investigated from the juvenile state to the adult stage. The authors spiked EE2 (5 ng/L and 20 ng/L) and DBP (0.1 mg/L and 0.5 mg/L) either individually or in mixture. At 45 d postfertilization (dpf), the survival rate of zebrafish was comparable in all treatments. Dibutyl phthalate did not induce vitellogenin (VTG) synthesis, and no interaction was found between EE2 and DBP on VTG induction. At 90 dpf, both liver and gill were subject to more severe damage (lipid vacuoles of hepatocytes, amalgamation of gill lamellae, and clubbing at the tips of the secondary lamellae) when coexposed to these 2 chemicals, compared with single exposure. At 115 dpf, generally none of the binary mixture groups showed significantly different growth and sex ratios compared with the corresponding EE2 alone groups. In conclusion, no obvious interactions were detected between EE2 and DBP on the growth, VTG induction, or sex ratio of zebrafish, and they may act independently. However, the influence on morphology of gonad, liver, and gill induced by exposure to the mixture of EE2 and DBP was generally more potent than that by single exposure to EE2 or DBP, indicating the combined long-term harmful effects of EE2 and DBP on the development of zebrafish. Environ Toxicol Chem 2015;34:518-526. © 2014 SETAC.

  11. Interdiffusion in binary ionic mixtures

    SciTech Connect

    Boercker, D.B.; Pollock, E.L.

    1987-08-15

    In this paper we present molecular-dynamics and kinetic-theory calculations of the interdiffusion coefficients in dense binary ionic mixtures for conditions appropriate to both astrophysical and inertial-confinement fusion (ICF) plasmas. The diffusion coefficient is the product of a Green-Kubo integral and a thermodynamic prefactor. The molecular-dynamics and kinetic-theory estimates of the Green-Kubo portion agree very well, and it is found that this integral may also be well represented by the usual concentration-weighted sum of self-diffusion coefficients. In addition, the low-density limit of the thermodynamic prefactor is shown to represent an enhancement of the diffusion by the ''ambipolar'' electric field.

  12. Thermo-Dynamic Discussions for the Chalcogenide Films of Reversible Optical Disk

    NASA Astrophysics Data System (ADS)

    Okuda, Masahiro; Rhee, Jung Chul; Matsushita, Tatsuhiko

    1987-05-01

    Thermodynamic discussions concerning the melt and solidification of binary and thernary chalcogenide films as well as the temperature distribution in a film during write-erase cycles are presented. For a reversible optical disk, a very high-rate temperature change (108°C/s) and a high-temperature gradient (8.5× 106°C/cm), compared with the usual metal alloy experiments, were experienced. In a Se-Te (isomorphous) system, the Te concentration increases at the circumference due to segregation. Thus, an isomorphous system is not adequate for reversible memory materials. On the other hand, in an eutectic system, segregation has not occured and, thus, many cycle operation is possible.

  13. Thermodynamics of Thermoelectric Materials

    NASA Astrophysics Data System (ADS)

    Doak, Jeff W.

    One challenge facing society is the responsible use of our energy resources. Increasing the efficiency of energy generation provides one path to solving this challenge. One commonality among most current energy generation methods is that waste heat is generated during the generation process. Thermoelectrics can provide a solution to increasing the efficiency of power generation and automotive systems by converting waste heat directly to electricity. The current barrier to implementation of thermoelectric systems is the low efficiencies of underlying thermoelectric materials. The efficiency of a thermoelectric material depends on the electronic and thermal transport properties of the material; a good thermoelectric material should be an electronic conductor and a thermal insulator, traits which generally oppose one another. The thermal properties of a thermoelectric material can be improved by forming nanoscale precipitates with the material which scatter phonons, reducing the thermal conductivity. The electronic properties of a thermoelectric material can be improved by doping the material to increase the electronic conductivity or by alloying the material to favorably alter its band structure. The ability of these chemical modifications to affect the thermoelectric efficiency of material are ultimately governed by the chemical thermodynamics of the system. PbTe is a prototypical thermoelectric material: Alloying PbTe with PbS (or other materials) creates nanostructures which scatter phonons and reduce the lattice thermal conductivity. Doping PbTe with Na increases the hole concentration, increasing the electronic conductivity. In this work, we investigate the thermodynamics of PbTe and similar systems using first principles to understand the underlying mechanisms controlling the formation of nanostructures and the amount of doping allowed in these systems. In this work we: 1) investigate the thermodynamics of pseudo-binary alloys of IV--VI systems to identify the

  14. Advances in thermodynamics

    SciTech Connect

    Sieniutycz, S. ); Salamon, P. )

    1990-01-01

    This book covers: nonequilibrium thermodynamics for solar energy applications; finite-time thermodynamics as applied to solar power conversion; thermodynamics and economics; exergy analysis; and an analysis of cumulative exergy consumption and exergy losses.

  15. Natural thermodynamics

    NASA Astrophysics Data System (ADS)

    Annila, Arto

    2016-02-01

    The principle of increasing entropy is derived from statistical physics of open systems assuming that quanta of actions, as undividable basic build blocks, embody everything. According to this tenet, all systems evolve from one state to another either by acquiring quanta from their surroundings or by discarding quanta to the surroundings in order to attain energetic balance in least time. These natural processes result in ubiquitous scale-free patterns: skewed distributions that accumulate in a sigmoid manner and hence span log-log scales mostly as straight lines. Moreover, the equation for least-time motions reveals that evolution is by nature a non-deterministic process. Although the obtained insight in thermodynamics from the notion of quanta in motion yields nothing new, it accentuates that contemporary comprehension is impaired when modeling evolution as a computable process by imposing conservation of energy and thereby ignoring that quantum of actions are the carriers of energy from the system to its surroundings.

  16. A thermodynamic study of interaction of Ag+, Mg2+, Ca2+, and K+ cations with 4-hydroxyphenyl-2,5-bis(2-benzofuranyl)pyridine in some binary mixed non-aqueous solvents

    NASA Astrophysics Data System (ADS)

    Khoshnood, Razieh Sanavi; Hatami, Elaheh; Arefi, Donya; Maknoni, Fatemeh Zahra

    2016-02-01

    In the present work the complexation process between Ag+ and Mg2+ cations and 4-hydroxyphenyl-2,5-bis(2-benzofuranyl)pyridine (HBFPY) ligand was studied in pure dimethylformamide (DMF), ethanol (EtOH), acetonitrile (AN) and in (DMF-EtOH), (AN-EtOH) and (DMF-AN) binary mixed solvent solutions at different temperatures using the conductometric method. Also in this work the complexation reaction between Ca2+, K+ cations and HBFPY ligand, was studied in pure dimethylformamide (DMF), propanol (PrOH), 1,4-dioxane (DOX), ethanol (EtOH) and in DMF-PrOH, DMF-DOX and DMF-EtOH binary mixed solvent solutions at different temperatures using the conductometric method. The conductance data show that the stoichiometry of the complexes formed between this ligand and the studied cations is 1 : 1 [ML]. In most cases, addition of HBFPY to solutions of these cations, causes a continuous increase in the molar conductivities which indicates that the mobility of complexed cations is more than the uncomplexed ones. The stability constants of the complexes were obtained from fitting of molar conductivity curves using a computer program, GENPLOT. The stability constant of [Mg(HBFPY)]2+ complex in various neat solvents at 15°C decreases in order: EtOH > DMF > AN and the stability constant of [Ag(HBFPY)]+ complex in various neat solvents at 35°C decreases in order: DMF > EtOH. The values of standard enthalpy changes (Δ H° c ) for complexation reactions were obtained from the slope of the Van't Hoff plots and the changes in standard entropy (Δ S° c ) were calculated from the relationship Δ H° c,295.15= Δ H° c -298.15Δ S° c .

  17. Thermodynamics of titanium oxides in metallurgical slags

    NASA Astrophysics Data System (ADS)

    Alpatov, A. V.; Paderin, S. N.

    2015-05-01

    The energy parameters of the model of a pseudoregular ionic solution are estimated for binary oxide phase diagrams in seven systems containing titanium oxide. The obtained parameters are compared to the available theoretical and experimental data on the thermodynamic properties of TiO2 in liquid binary systems. The model of a pseudoregular ionic solution is extended to the liquid eight-component FeO-MnO-CaO-MgO-SiO2-CrO1.5-AlO1.5-TiO2 system, as applied to metallurgical slags containing titanium oxides.

  18. Computing conformational free energy differences in explicit solvent: An efficient thermodynamic cycle using an auxiliary potential and a free energy functional constructed from the end points.

    PubMed

    Harris, Robert C; Deng, Nanjie; Levy, Ronald M; Ishizuka, Ryosuke; Matubayasi, Nobuyuki

    2016-12-23

    Many biomolecules undergo conformational changes associated with allostery or ligand binding. Observing these changes in computer simulations is difficult if their timescales are long. These calculations can be accelerated by observing the transition on an auxiliary free energy surface with a simpler Hamiltonian and connecting this free energy surface to the target free energy surface with free energy calculations. Here, we show that the free energy legs of the cycle can be replaced with energy representation (ER) density functional approximations. We compute: (1) The conformational free energy changes for alanine dipeptide transitioning from the right-handed free energy basin to the left-handed basin and (2) the free energy difference between the open and closed conformations of β-cyclodextrin, a "host" molecule that serves as a model for molecular recognition in host-guest binding. β-cyclodextrin contains 147 atoms compared to 22 atoms for alanine dipeptide, making β-cyclodextrin a large molecule for which to compute solvation free energies by free energy perturbation or integration methods and the largest system for which the ER method has been compared to exact free energy methods. The ER method replaced the 28 simulations to compute each coupling free energy with two endpoint simulations, reducing the computational time for the alanine dipeptide calculation by about 70% and for the β-cyclodextrin by > 95%. The method works even when the distribution of conformations on the auxiliary free energy surface differs substantially from that on the target free energy surface, although some degree of overlap between the two surfaces is required. © 2016 Wiley Periodicals, Inc.

  19. The Thermodynamics of a Refrigeration System.

    ERIC Educational Resources Information Center

    Azevedo e Silva, J. F. M.

    1991-01-01

    An attempt to clarify the teaching of some of the concepts of thermodynamics through the observation of an experiment with an ordinary refrigeration system is presented. The cycle of operation in the refrigeration system and the individual processes in the cycle are described. (KR)

  20. Quantum cluster equilibrium model of N-methylformamide-water binary mixtures

    NASA Astrophysics Data System (ADS)

    von Domaros, Michael; Jähnigen, Sascha; Friedrich, Joachim; Kirchner, Barbara

    2016-02-01

    The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF.

  1. Quantum cluster equilibrium model of N-methylformamide-water binary mixtures.

    PubMed

    von Domaros, Michael; Jähnigen, Sascha; Friedrich, Joachim; Kirchner, Barbara

    2016-02-14

    The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF.

  2. Quantum cluster equilibrium model of N-methylformamide–water binary mixtures

    SciTech Connect

    Domaros, Michael von; Kirchner, Barbara; Jähnigen, Sascha; Friedrich, Joachim

    2016-02-14

    The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF.

  3. Vaporization thermodynamic studies by high-temperature mass spectrometry on some three-phase regions over the MnO-TeO2 binary line in the Mn-Te-O ternary system.

    PubMed

    Narasimhan, T S Lakshmi; Sai Baba, M; Viswanathan, R

    2006-12-28

    Knudsen effusion mass spectrometric measurements have been performed in the temperature range of 850-950 K over four three-phase mixtures, each phase mixture having at least one phase lying on the MnO-TeO2 binary line of the Mn-Te-O phase diagram, and the rest of the phases lying above this binary line. The three-phase mixtures investigated are Mn3O4 + MnO + Mn6Te5O16; Mn3O4 + Mn6Te5O16 + MnTeO3; Mn3O4 + Mn3TeO6 + MnTeO3; and Mn3TeO6 + MnTeO3 + Mn2Te3O8. The vapor pressures of the gaseous species TeO2, TeO, and Te2 over these three-phase mixtures were measured, and various heterogeneous solid-gas reactions were evaluated along with the homogeneous gas-phase reaction TeO2(g) + 0.5Te2(g) = 2 TeO(g). The enthalpy and Gibbs free energy of formation of the four ternary Mn-Te-O phases were deduced at T = 900 K. These values (in kJ.mol-1), along with the estimated uncertainties in them are Delta(f)H(o)m = 4150 +/- 19, 752 +/- 11, 1710 +/- 11, 1924 +/- 40, and Delta(f)G(o)m= 2835 +/- 28, 511 +/- 11, 1254 +/- 19, 1238 +/- 38, for Mn6Te5O16, MnTeO3, Mn3TeO6, and Mn2Te3O8, respectively. A thermochemical assessment was made to examine the conditions under which the ternary Mn-Te-O phases could be formed on a stainless steel clad of mixed-oxide-fueled (MO2; M = U + Pu) fast breeder nuclear reactors. The phase Mn3TeO6 could be formed when the fuel is even slightly hyperstoichiometric (O/M = 2.0002) and the phase Mn6Te5O16 could also be formed when O/M = 2.0004. The threshold tellurium potential for the formation of Mn3TeO6 is higher than that for MnTe0.80 and CrTe1.10, but is comparable to that for MoTe1.10, and even lower than that for FeTe0.81 or NiTe0.63.

  4. Simulating Metabolism with Statistical Thermodynamics

    PubMed Central

    Cannon, William R.

    2014-01-01

    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed. PMID:25089525

  5. Simulating metabolism with statistical thermodynamics.

    PubMed

    Cannon, William R

    2014-01-01

    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed.

  6. Stellivore extraterrestrials? Binary stars as living systems

    NASA Astrophysics Data System (ADS)

    Vidal, Clément

    2016-11-01

    We lack signs of extraterrestrial intelligence (ETI) despite decades of observation in the whole electromagnetic spectrum. Could evidence be buried in existing data? To recognize ETI, we first propose criteria discerning life from non-life based on thermodynamics and living systems theory. Then we extrapolate civilizational development to both external and internal growth. Taken together, these two trends lead to an argument that some existing binary stars might actually be ETI. Since these hypothetical beings feed actively on stars, we call them "stellivores". I present an independent thermodynamic argument for their existence, with a metabolic interpretation of interacting binary stars. The jury is still out, but the hypothesis is empirically testable with existing astrophysical data.

  7. On the dynamical evolution and end states of binary centaurs

    NASA Astrophysics Data System (ADS)

    Brunini, A.

    2014-01-01

    In this paper, we perform a numerical integration of 666 fictitious binary Centaurs coming from the trans Neptunian space. Our population is restricted to tight binaries whose components have sizes between 30 and 100 km. We included the dynamical perturbations from the giant planets, Kozai Cycles induced by the Sun and tidal friction on the orbits of the binaries. We found that most binaries are disrupted during one of the close planetary encounters, making the mean lifetime of binary Centaurs much shorter than the one of single Centaurs. Nearly 10 per cent of the binaries reach a very tight circular orbit, arguing in favour of the existence of a non-negligible population of contact Centaurs. Another 10 per cent survive as a binary during their lifetime as Centaur. Our simulations favour the existence of a small population of very tight binary Centaurs.

  8. Thermodynamics of Radiation Modes

    ERIC Educational Resources Information Center

    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…

  9. Thermodynamics of Radiation Modes

    ERIC Educational Resources Information Center

    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…

  10. Numerical study of thermomagnetic cycle

    NASA Astrophysics Data System (ADS)

    Almanza, Morgan; Pasko, Alexandre; Mazaleyrat, Frédéric; LoBue, Martino

    2017-03-01

    We estimate the efficiency and power of a thermal energy harvesting thermodynamic cycle using a magnetocaloric material as active substance. The thermodynamic cycle is computed using an equation of state, either extrapolated from experimental data or deduced using a phenomenological Landau model. The magnetic work is then compared to the maximum work. Afterwards power is estimated using a simple thermal exchange model. Simulations of different cycles for different working points illustrate the tradeoff between power and efficiency.

  11. Improved Estimates of Thermodynamic Parameters

    NASA Technical Reports Server (NTRS)

    Lawson, D. D.

    1982-01-01

    Techniques refined for estimating heat of vaporization and other parameters from molecular structure. Using parabolic equation with three adjustable parameters, heat of vaporization can be used to estimate boiling point, and vice versa. Boiling points and vapor pressures for some nonpolar liquids were estimated by improved method and compared with previously reported values. Technique for estimating thermodynamic parameters should make it easier for engineers to choose among candidate heat-exchange fluids for thermochemical cycles.

  12. Thermodynamic Model of Noise Information Transfer

    NASA Astrophysics Data System (ADS)

    Hejna, Bohdan

    2008-10-01

    In this paper we apply a certain unifying physical description of the results of Information Theory. Assuming that heat entropy is a thermodynamic realization of information entropy [2], we construct a cyclical, thermodynamic, average-value model of an information transfer chain [3] as a general heat engine, in particular a Carnot engine, reversible or irreversible. A working medium of the cycle (a thermodynamic system transforming input heat energy) can be considered as a thermodynamic, average-value model or, as such, as a realization of an information transfer channel. We show that in a model realized in this way the extended II. Principle of Thermodynamics is valid [2] and we formulate its information form.

  13. Combined thermodynamic study of nickel-base alloys. Progress report

    SciTech Connect

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

    1981-02-15

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

  14. Research into the origins of engineering thermodynamics

    SciTech Connect

    Bejan, A.

    1988-09-01

    This paper draws attention to a series of misconceptions and misstatements regarding the origin and meaning of some of the most basic concepts of engineering thermodynamics. The six examples exhibited in the paper relate to the concepts of reversibility, entropy, mechanical equivalent of the calorie, the first law of thermodynamics for open systems, enthalpy and the Diesel cycle. A complete list of the pioneering references concludes the paper.

  15. Thermodynamic power stations at low temperatures

    NASA Astrophysics Data System (ADS)

    Malherbe, J.; Ployart, R.; Alleau, T.; Bandelier, P.; Lauro, F.

    The development of low-temperature thermodynamic power stations using solar energy is considered, with special attention given to the choice of the thermodynamic cycle (Rankine), working fluids (frigorific halogen compounds), and heat exchangers. Thermomechanical conversion machines, such as ac motors and rotating volumetric motors are discussed. A system is recommended for the use of solar energy for irrigation and pumping in remote areas. Other applications include the production of cold of fresh water from brackish waters, and energy recovery from hot springs.

  16. Advanced working fluids: Thermodynamic properties

    NASA Astrophysics Data System (ADS)

    Lee, Lloyd L.; Gering, Kevin L.

    1990-10-01

    Electrolytes are used as working fluids in gas fired heat pump chiller engine cycles. To find out which molecular parameters of the electrolytes impact on cycle performance, a molecular theory is developed for calculating solution properties, enthalpies, vapor-liquid equilibria, and engine cycle performance. Aqueous and ammoniac single and mixed salt solutions in single and multisolvent systems are investigated. An accurate correlation is developed to evaluate properties for concentrated electrolyte solutions. Sensitivity analysis is used to determine the impact of molecular parameters on the thermodynamic properties and cycle performance. The preferred electrolytes are of 1-1 valence type, small ion size, high molecular weight, and in strongly colligative cosolvent. The operating windows are determined for a number of absorption fluids of industrial importance.

  17. Measuring Thermodynamic Length

    SciTech Connect

    Crooks, Gavin E

    2007-09-07

    Thermodynamic length is a metric distance between equilibrium thermodynamic states. Among other interesting properties, this metric asymptotically bounds the dissipation induced by a finite time transformation of a thermodynamic system. It is also connected to the Jensen-Shannon divergence, Fisher information, and Rao's entropy differential metric. Therefore, thermodynamic length is of central interestin understanding matter out of equilibrium. In this Letter, we will consider how to denethermodynamic length for a small system described by equilibrium statistical mechanics and how to measure thermodynamic length within a computer simulation. Surprisingly, Bennett's classic acceptance ratio method for measuring free energy differences also measures thermodynamic length.

  18. The "Sadly Cannot" Thermodynamic Cycle Revisited.

    ERIC Educational Resources Information Center

    Mills, David S.; Huston, Craig S.

    1991-01-01

    An exercise that gives students a chance to use the equations of state for both an ideal gas and for an adiabatic process in determining the points at which heat flow reverses direction and at which the working substance reaches its maximum temperature is demonstrated. (KR)

  19. The "Sadly Cannot" Thermodynamic Cycle Revisited.

    ERIC Educational Resources Information Center

    Mills, David S.; Huston, Craig S.

    1991-01-01

    An exercise that gives students a chance to use the equations of state for both an ideal gas and for an adiabatic process in determining the points at which heat flow reverses direction and at which the working substance reaches its maximum temperature is demonstrated. (KR)

  20. Chemical thermodynamics: plenary review.

    NASA Astrophysics Data System (ADS)

    Fegley, B., Jr.

    1990-05-01

    The invited and contributed papers dealing with the applications of chemical thermodynamics to planetary atmospheres research are briefly reviewed. The key areas for future applications of chemical thermodynamics research to planetary atmospheres are also described.

  1. Thermodynamic constraints for biochemical networks.

    PubMed

    Beard, Daniel A; Babson, Eric; Curtis, Edward; Qian, Hong

    2004-06-07

    The constraint-based approach to analysis of biochemical systems has emerged as a useful tool for rational metabolic engineering. Flux balance analysis (FBA) is based on the constraint of mass conservation; energy balance analysis (EBA) is based on non-equilibrium thermodynamics. The power of these approaches lies in the fact that the constraints are based on physical laws, and do not make use of unknown parameters. Here, we show that the network structure (i.e. the stoichiometric matrix) alone provides a system of constraints on the fluxes in a biochemical network which are feasible according to both mass balance and the laws of thermodynamics. A realistic example shows that these constraints can be sufficient for deriving unambiguous, biologically meaningful results. The thermodynamic constraints are obtained by comparing of the sign pattern of the flux vector to the sign patterns of the cycles of the internal cycle space via connection between stoichiometric network theory (SNT) and the mathematical theory of oriented matroids.

  2. Thermodynamic constraints on fluctuation phenomena.

    PubMed

    Maroney, O J E

    2009-12-01

    The relationships among reversible Carnot cycles, the absence of perpetual motion machines, and the existence of a nondecreasing globally unique entropy function form the starting point of many textbook presentations of the foundations of thermodynamics. However, the thermal fluctuation phenomena associated with statistical mechanics has been argued to restrict the domain of validity of this basis of the second law of thermodynamics. Here we demonstrate that fluctuation phenomena can be incorporated into the traditional presentation, extending rather than restricting the domain of validity of the phenomenologically motivated second law. Consistency conditions lead to constraints upon the possible spectrum of thermal fluctuations. In a special case this uniquely selects the Gibbs canonical distribution and more generally incorporates the Tsallis distributions. No particular model of microscopic dynamics need be assumed.

  3. Thermodynamics with Continuous Information Flow

    NASA Astrophysics Data System (ADS)

    Horowitz, Jordan M.; Esposito, Massimiliano

    2014-07-01

    We provide a unified thermodynamic formalism describing information transfers in autonomous as well as nonautonomous systems described by stochastic thermodynamics. We demonstrate how information is continuously generated in an auxiliary system and then transferred to a relevant system that can utilize it to fuel otherwise impossible processes. Indeed, while the joint system satisfies the second law, the entropy balance for the relevant system is modified by an information term related to the mutual information rate between the two systems. We show that many important results previously derived for nonautonomous Maxwell demons can be recovered from our formalism and use a cycle decomposition to analyze the continuous information flow in autonomous systems operating at a steady state. A model system is used to illustrate our findings.

  4. Thermodynamic constraints on fluctuation phenomena

    NASA Astrophysics Data System (ADS)

    Maroney, O. J. E.

    2009-12-01

    The relationships among reversible Carnot cycles, the absence of perpetual motion machines, and the existence of a nondecreasing globally unique entropy function form the starting point of many textbook presentations of the foundations of thermodynamics. However, the thermal fluctuation phenomena associated with statistical mechanics has been argued to restrict the domain of validity of this basis of the second law of thermodynamics. Here we demonstrate that fluctuation phenomena can be incorporated into the traditional presentation, extending rather than restricting the domain of validity of the phenomenologically motivated second law. Consistency conditions lead to constraints upon the possible spectrum of thermal fluctuations. In a special case this uniquely selects the Gibbs canonical distribution and more generally incorporates the Tsallis distributions. No particular model of microscopic dynamics need be assumed.

  5. Reformulating Aerosol Thermodynamics and Cloud Microphysics

    NASA Astrophysics Data System (ADS)

    Metzger, S.

    2006-12-01

    Modeling aerosol composition and cloud microphysics is rather complex due to the required thermodynamics, even if chemical and thermodynamical equilibrium is assumed. We show, however, that for deliquescent atmospheric aerosols thermodynamics can be considerably simplified, if we reformulate chemical equilibrium to include water purely based on thermodynamic principles. In chemical and thermodynamical equilibrium, the relative humidity (RH) fixes the molality of atmospheric aerosols. Although this fact is in theory well known, it has hardly been utilized in aerosol modeling nor has been the fact that for the same reason also the aerosol activity (including activity coefficients) and water content are fixed (by RH) for a given aerosol concentration and type. The only model that successfully utilizes this fact is the computationally very efficient EQuilibrium Simplified thermodynamic gas/Aerosol partitioning Model, EQSAM (Metzger et al., 2002a), EQSAM2 (Metzger et al., 2006). In both versions the entire gas/liquid/solid aerosol equilibrium partitioning is solved analytically and hence non-iteratively a substantial advantage in aerosol composition modeling. Here we briefly present the theoretical framework of EQSAM2, which differs from EQSAM in a way that the calculation of the water activity of saturated binary or mixed inorganic/organic salt solutions of multi-component aerosols has been generalized by including the Kelvin-term, thus allowing for any solute activity above the deliquescence relative humidity, including supersaturation. With application of our new concept to a numerical whether prediction (NWP) model, we demonstrate its wide implications for the computation of various aerosol and cloud properties, as our new concept allows to consistently and efficiently link the modeling of aerosol thermodynamics and cloud microphysics through the aerosol water mass, which therefore deserves special attention in atmospheric chemistry, air pollution, NWP and climate

  6. Geothermal plant efficiency enhancement by means of the use of Kalina cycle

    SciTech Connect

    Lazzeri, L.; Bruzzone, M.

    1995-12-31

    This paper presents a study on the increase in geothermal plant efficiency that can be obtained by using a Kalina cycle. After a brief overview on flash plant and organic binary plant performances and a description of the working principle of Kalina cycle geothermal plants, comparison shall be made between the efficiency of Kalina cycle plants and the one of flash plants on a representative case for medium-high enthalpy resource. Kalina cycle efficiency will also be calculated for a representative case for a low enthalpy resource and this result will be discuss with reference to organic binary cycle efficiencies reported in technical literature. Thermodynamic functions such as specific enthalpy (h) and specific enthropy (s) have been supposed to be known to the readers. The exergy function, being its use is somewhat more recent, is here redefined for the reader`s ease: the specific exergy (e) of a stream in steady flow is: e = (h{minus}h{sub o}){minus}T{sub o}{center_dot}(s{minus}s{sub o}) where the ``o`` subscript refers to environmental conditions. The energetic content of a stream in steady flow represents the maximum power output that can be obtained from the stream.

  7. Search for Binary Trojans

    NASA Astrophysics Data System (ADS)

    Noll, Keith S.; Grundy, W. M.; Ryan, E. L.; Benecchi, S. D.

    2015-11-01

    We have reexamined 41 Trojan asteroids observed with the Hubble Space Telescope (HST) to search for unresolved binaries. We have identified one candidate binary with a separation of 53 milliarcsec, about the width of the diffraction limited point-spread function (PSF). Sub-resolution-element detection of binaries is possible with HST because of the high signal-to-noise ratio of the observations and the stability of the PSF. Identification and confirmation of binary Trojans is important because a Trojan Tour is one of five possible New Frontiers missions. A binary could constitute a potentially high value target because of the opportunity to study two objects and to test models of the primordial nature of binaries. The potential to derive mass-based physical information from the binary orbit could yield more clues to the origin of Trojans.

  8. Shear viscosity of binary mixtures: The Gay-Berne potential

    NASA Astrophysics Data System (ADS)

    Khordad, R.

    2012-05-01

    The Gay-Berne (GB) potential model is an interesting and useful model to study the real systems. Using the potential model, we intend to examine the thermodynamical properties of some anisotropic binary mixtures in two different phases, liquid and gas. For this purpose, we apply the integral equation method and solve numerically the Percus-Yevick (PY) integral equation. Then, we obtain the expansion coefficients of correlation functions to calculate the thermodynamical properties. Finally, we compare our results with the available experimental data [e.g., HFC-125 + propane, R-125/143a, methanol + toluene, benzene + methanol, cyclohexane + ethanol, benzene + ethanol, carbon tetrachloride + ethyl acetate, and methanol + ethanol]. The results show that the GB potential model is capable for predicting the thermodynamical properties of binary mixtures with acceptable accuracy.

  9. Thermodynamic Properties of Aqueous Solution of Ammonia

    NASA Astrophysics Data System (ADS)

    Kitamura, Hiroshi; Oguchi, Kosei

    Present status on the thermodynamic properties of experimental data and their correlations of both ammonia and aqueous solution of ammonia was introduced in this paper. The aqueous solution of ammonia is used for not only a working fluid in absorption refrigerator cycles but also working fluids in bottoming cycles of steam power plants and other heat recovering systems. Therefore, the thermodynamic properties of this substance are required in a wide range of temperatures, pressures and compositions. The experimental results of pVTx properties for ammonia and aqueous solution of ammonia and their comparisons with a formulation by Tillner-Roth and Friend1) were critically surveyed. The “Guideline on the IAPWS Formulation 2000 for the Thermodynamic Properties of Ammonia-Water Mixtures”, correlated by Tillner-Roth and Friend1), was approved on September, 2001, by the International Association for the Properties of Water and Steam (IAPWS) 2).

  10. PHOEBE: PHysics Of Eclipsing BinariEs

    NASA Astrophysics Data System (ADS)

    Prsa, Andrej; Matijevic, Gal; Latkovic, Olivera; Vilardell, Francesc; Wils, Patrick

    2011-06-01

    PHOEBE (PHysics Of Eclipsing BinariEs) is a modeling package for eclipsing binary stars, built on top of the widely used WD program (Wilson & Devinney 1971). This introductory paper overviews most important scientific extensions (incorporating observational spectra of eclipsing binaries into the solution-seeking process, extracting individual temperatures from observed color indices, main-sequence constraining and proper treatment of the reddening), numerical innovations (suggested improvements to WD's Differential Corrections method, the new Nelder & Mead's downhill Simplex method) and technical aspects (back-end scripter structure, graphical user interface). While PHOEBE retains 100% WD compatibility, its add-ons are a powerful way to enhance WD by encompassing even more physics and solution reliability.

  11. X-ray Binaries

    NASA Astrophysics Data System (ADS)

    Lewin, Walter H. G.; van Paradijs, Jan; van den Heuvel, Edward Peter Jacobus

    1997-01-01

    Preface; 1. The properties of X-ray binaries, N. E. White, F. Nagase and A. N. Parmar; 2. Optical and ultraviolet observations of X-ray binaries J. van Paradijs and J. E. McClintock; 3. Black-hole binaries Y. Tanaka and W. H. G. Lewin; 4. X-ray bursts Walter H. G. Lewin, Jan Van Paradijs and Ronald E. Taam; 5. Millisecond pulsars D. Bhattacharya; 6. Rapid aperiodic variability in binaries M. van der Klis; 7. Radio properties of X-ray binaries R. M. Hjellming and X. Han; 8. Cataclysmic variable stars France Anne-Dominic Córdova; 9. Normal galaxies and their X-ray binary populations G. Fabbiano; 10. Accretion in close binaries Andrew King; 11. Formation and evolution of neutron stars and black holes in binaries F. Verbunt and E. P. J. van den Heuvel; 12. The magnetic fields of neutron stars and their evolution D. Bhattacharya and G. Srinivasan; 13. Cosmic gamma-ray bursts K. Hurley; 14. A catalogue of X-ray binaries Jan van Paradijs; 15. A compilation of cataclysmic binaries with known or suspected orbital periods Hans Ritter and Ulrich Kolb; References; Index.

  12. Thermodynamics of discrete quantum processes

    NASA Astrophysics Data System (ADS)

    Anders, Janet; Giovannetti, Vittorio

    2013-03-01

    We define thermodynamic configurations and identify two primitives of discrete quantum processes between configurations for which heat and work can be defined in a natural way. This allows us to uncover a general second law for any discrete trajectory that consists of a sequence of these primitives, linking both equilibrium and non-equilibrium configurations. Moreover, in the limit of a discrete trajectory that passes through an infinite number of configurations, i.e. in the reversible limit, we recover the saturation of the second law. Finally, we show that for a discrete Carnot cycle operating between four configurations one recovers Carnot's thermal efficiency.

  13. Open cycle thermoacoustics

    SciTech Connect

    Reid, Robert Stowers

    2000-01-01

    A new type of thermodynamic device combining a thermodynamic cycle with the externally applied steady flow of an open thermodynamic process is discussed and experimentally demonstrated. The gas flowing through this device can be heated or cooled in a series of semi-open cyclic steps. The combination of open and cyclic flows makes possible the elimination of some or all of the heat exchangers (with their associated irreversibility). Heat is directly exchanged with the process fluid as it flows through the device when operating as a refrigerator, producing a staging effect that tends to increase First Law thermodynamic efficiency. An open-flow thermoacoustic refrigerator was built to demonstrate this concept. Several approaches are presented that describe the physical characteristics of this device. Tests have been conducted on this refrigerator with good agreement with a proposed theory.

  14. Thermodynamics of Bioreactions.

    PubMed

    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.

  15. Stochastic Thermodynamics of Learning

    NASA Astrophysics Data System (ADS)

    Goldt, Sebastian; Seifert, Udo

    2017-01-01

    Virtually every organism gathers information about its noisy environment and builds models from those data, mostly using neural networks. Here, we use stochastic thermodynamics to analyze the learning of a classification rule by a neural network. We show that the information acquired by the network is bounded by the thermodynamic cost of learning and introduce a learning efficiency η ≤1 . We discuss the conditions for optimal learning and analyze Hebbian learning in the thermodynamic limit.

  16. Thermodynamics of Organic Compounds

    DTIC Science & Technology

    1981-01-01

    Organic Compounds by I A. Hossenlopp and D. W. Scott -- Journal of Chemical Thermodynamics , 13, No. 5, 405-414 (1981). t 1 I- i !I *1 I I ~ I [LI...National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University Research Park Attn: Dr Stan Abramowitz Attn: Dr H H Li Mr David... Chemical Thermodynamics Division AFAOL/RJT (Dr 7 D Stull) Attn: Mr Donald D Wagman Wright-Patterson AFB, OH 45433 Washington, DC 20234 U.S. Army

  17. Time and irreversibility in axiomatic thermodynamics

    NASA Astrophysics Data System (ADS)

    Marsland, Robert; Brown, Harvey R.; Valente, Giovanni

    2015-07-01

    Thermodynamics is the paradigm example in physics of a time-asymmetric theory, but the origin of the asymmetry lies deeper than the second law. A primordial arrow can be defined by the way of the equilibration principle ("minus first law"). By appealing to this arrow, the nature of the well-known ambiguity in Carathéodory's 1909 version of the second law becomes clear. Following Carathéodory's seminal work, formulations of thermodynamics have gained ground that highlight the role of the binary relation of adiabatic accessibility between equilibrium states, the most prominent recent example being the important 1999 axiomatization due to Lieb and Yngvason. This formulation can be shown to contain an ambiguity strictly analogous to that in Carathéodory's treatment.

  18. Thermodynamics and Structure of Plutonium Alloys

    SciTech Connect

    Allen, P G; Turchi, P A; Gallegos, G F

    2004-01-30

    The goal of this project was to investigate the chemical and structural effects of gallium and impurity elements, iron and nickel, on the phase behavior and crystallography of Pu-Ga alloys. This was done utilizing a theoretical chemical approach to predict binary and ternary alloy energetics, phase stability, and transformations. The modeling results were validated with experimental data derived from the synthesis of selected alloys and advanced characterization tools. The ultimate goal of this work was to develop a robust predictive capability for studying the thermodynamics and the structure-properties relationships in complex materials of high relevance to the Laboratory and DOE mission.

  19. High-temperature thermodynamics.

    NASA Technical Reports Server (NTRS)

    Margrave, J. L.

    1967-01-01

    High temperature thermodynamics requiring species and phases identification, crystal structures, molecular geometries and vibrational, rotational and electronic energy levels and equilibrium constants

  20. Thermodynamics of vacancies and clusters in high-entropy alloys

    NASA Astrophysics Data System (ADS)

    Wang, Zhijun; Liu, C. T.; Dou, Peng

    2017-09-01

    By means of thermodynamic analyses, we provide the intriguing evidence that the equilibrium vacancy concentrations and their clusters in high entropy alloys (HEAs) are substantially larger than those in pure metals and simple binary alloys. The increased defect concentrations strongly change the thermodynamic and kinetic properties of the HEAs. With these findings, we predict a strong recombination tendency of vacancies and interstitials after excitation from radiation bombardments, and the results are favorably compatible with very recent experiments on the superior radiation resistance of HEAs. The thermodynamics of vacancies and clusters in HEAs will be of great interest to the design of advanced materials involving many thermodynamic and kinetic properties such as thermal conductivity, diffusivity, precipitation, creep, and irradiation damage.

  1. Flip-flopping binary black holes.

    PubMed

    Lousto, Carlos O; Healy, James

    2015-04-10

    We study binary spinning black holes to display the long term individual spin dynamics. We perform a full numerical simulation starting at an initial proper separation of d≈25M between equal mass holes and evolve them down to merger for nearly 48 orbits, 3 precession cycles, and half of a flip-flop cycle. The simulation lasts for t=20 000M and displays a total change in the orientation of the spin of one of the black holes from an initial alignment with the orbital angular momentum to a complete antialignment after half of a flip-flop cycle. We compare this evolution with an integration of the 3.5 post-Newtonian equations of motion and spin evolution to show that this process continuously flip flops the spin during the lifetime of the binary until merger. We also provide lower order analytic expressions for the maximum flip-flop angle and frequency. We discuss the effects this dynamics may have on spin growth in accreting binaries and on the observational consequences for galactic and supermassive binary black holes.

  2. Case A Binary Evolution

    SciTech Connect

    Nelson, C A; Eggleton, P P

    2001-03-28

    We undertake a comparison of observed Algol-type binaries with a library of computed Case A binary evolution tracks. The library consists of 5500 binary tracks with various values of initial primary mass M{sub 10}, mass ratio q{sub 0}, and period P{sub 0}, designed to sample the phase-space of Case A binaries in the range -0.10 {le} log M{sub 10} {le} 1.7. Each binary is evolved using a standard code with the assumption that both total mass and orbital angular momentum are conserved. This code follows the evolution of both stars until the point where contact or reverse mass transfer occurs. The resulting binary tracks show a rich variety of behavior which we sort into several subclasses of Case A and Case B. We present the results of this classification, the final mass ratio and the fraction of time spent in Roche Lobe overflow for each binary system. The conservative assumption under which we created this library is expected to hold for a broad range of binaries, where both components have spectra in the range G0 to B1 and luminosity class III - V. We gather a list of relatively well-determined observed hot Algol-type binaries meeting this criterion, as well as a list of cooler Algol-type binaries where we expect significant dynamo-driven mass loss and angular momentum loss. We fit each observed binary to our library of tracks using a {chi}{sup 2}-minimizing procedure. We find that the hot Algols display overall acceptable {chi}{sup 2}, confirming the conservative assumption, while the cool Algols show much less acceptable {chi}{sup 2} suggesting the need for more free parameters, such as mass and angular momentum loss.

  3. Thermodynamics and bioenergetics.

    PubMed

    Demirel, Y; Sandler, S I

    2002-06-19

    Bioenergetics is concerned with the energy conservation and conversion processes in a living cell, particularly in the inner membrane of the mitochondrion. This review summarizes the role of thermodynamics in understanding the coupling between the chemical reactions and the transport of substances in bioenergetics. Thermodynamics has the advantages of identifying possible pathways, providing a measure of the efficiency of energy conversion, and of the coupling between various processes without requiring a detailed knowledge of the underlying mechanisms. In the last five decades, various new approaches in thermodynamics, non-equilibrium thermodynamics and network thermodynamics have been developed to understand the transport and rate processes in physical and biological systems. For systems not far from equilibrium the theory of linear non-equilibrium thermodynamics is used, while extended non-equilibrium thermodynamics is used for systems far away from equilibrium. All these approaches are based on the irreversible character of flows and forces of an open system. Here, linear non-equilibrium thermodynamics is mostly discussed as it is the most advanced. We also review attempts to incorporate the mechanisms of a process into some formulations of non-equilibrium thermodynamics. The formulation of linear non-equilibrium thermodynamics for facilitated transport and active transport, which represent the key processes of coupled phenomena of transport and chemical reactions, is also presented. The purpose of this review is to present an overview of the application of non-equilibrium thermodynamics to bioenergetics, and introduce the basic methods and equations that are used. However, the reader will have to consult the literature reference to see the details of the specific applications.

  4. Qualitative and quantitative reasoning about thermodynamics

    NASA Technical Reports Server (NTRS)

    Skorstad, Gordon; Forbus, Ken

    1989-01-01

    One goal of qualitative physics is to capture the tacit knowledge of engineers and scientists. It is shown how Qualitative Process theory can be used to express concepts of engineering thermodynamics. In particular, it is shown how to integrate qualitative and quantitative knowledge to solve textbook problems involving thermodynamic cycles, such as gas turbine plants and steam power plants. These ideas were implemented in a program called SCHISM. Its analysis of a sample textbook problem is described and plans for future work are discussed.

  5. Loss of thermodynamic work at the cascade stages during the separation of a multicomponent mixture of ideal gases

    NASA Astrophysics Data System (ADS)

    Chizhkov, V. P.; Boitsov, V. N.

    2016-01-01

    Formulas for estimating the thermodynamic work during the separation of components of binary and multicomponent mixtures are discussed and generalized. The difference between the work of separation determined from the separation potential and the thermodynamically estimated work during the isobaric-isothermal mixing of fractions separated at the ends of a cascade is calculated and explained.

  6. Molecular motors: thermodynamics and the random walk.

    PubMed Central

    Thomas, N.; Imafuku, Y.; Tawada, K.

    2001-01-01

    The biochemical cycle of a molecular motor provides the essential link between its thermodynamics and kinetics. The thermodynamics of the cycle determine the motor's ability to perform mechanical work, whilst the kinetics of the cycle govern its stochastic behaviour. We concentrate here on tightly coupled, processive molecular motors, such as kinesin and myosin V, which hydrolyse one molecule of ATP per forward step. Thermodynamics require that, when such a motor pulls against a constant load f, the ratio of the forward and backward products of the rate constants for its cycle is exp [-(DeltaG + u(0)f)/kT], where -DeltaG is the free energy available from ATP hydrolysis and u(0) is the motor's step size. A hypothetical one-state motor can therefore act as a chemically driven ratchet executing a biased random walk. Treating this random walk as a diffusion problem, we calculate the forward velocity v and the diffusion coefficient D and we find that its randomness parameter r is determined solely by thermodynamics. However, real molecular motors pass through several states at each attachment site. They satisfy a modified diffusion equation that follows directly from the rate equations for the biochemical cycle and their effective diffusion coefficient is reduced to D-v(2)tau, where tau is the time-constant for the motor to reach the steady state. Hence, the randomness of multistate motors is reduced compared with the one-state case and can be used for determining tau. Our analysis therefore demonstrates the intimate relationship between the biochemical cycle, the force-velocity relation and the random motion of molecular motors. PMID:11600075

  7. Student Misconceptions in Thermodynamics.

    ERIC Educational Resources Information Center

    Granville, Mark F.

    1985-01-01

    Discusses misconceptions (in several thermodynamics statements) that seem to be particularly common among students who have finished a one-semester, junior-level course in chemical thermodynamics. When presented as true/false questions, these statements are usually judged true, although each requires at least one more condition to be satisfied.…

  8. Thermodynamics and Gravity,

    DTIC Science & Technology

    symmetry of the spacetime coordinates of the region in which the gravity field is located. The form of the laws of thermodynamics for matter located in a...gravity field is investigated by applying the broken spacetime symmetry forms of the first and second laws of thermodynamics. In a gravity field the

  9. Thermodynamics and combustion modeling

    NASA Technical Reports Server (NTRS)

    Zeleznik, Frank J.

    1986-01-01

    Modeling fluid phase phenomena blends the conservation equations of continuum mechanics with the property equations of thermodynamics. The thermodynamic contribution becomes especially important when the phenomena involve chemical reactions as they do in combustion systems. The successful study of combustion processes requires (1) the availability of accurate thermodynamic properties for both the reactants and the products of reaction and (2) the computational capabilities to use the properties. A discussion is given of some aspects of the problem of estimating accurate thermodynamic properties both for reactants and products of reaction. Also, some examples of the use of thermodynamic properties for modeling chemically reacting systems are presented. These examples include one-dimensional flow systems and the internal combustion engine.

  10. Ligand Exchange Governs the Crystal Structures in Binary Nanocrystal Superlattices.

    PubMed

    Wei, Jingjing; Schaeffer, Nicolas; Pileni, Marie-Paule

    2015-11-25

    The surface chemistry in colloidal nanocrystals on the final crystalline structure of binary superlattices produced by self-assembly of two sets of nanocrystals is hereby demonstrated. By mixing nanocrystals having two different sizes and the same coating agent, oleylamine (OAM), the binary nanocrystal superlattices that are produced, such as NaCl, AlB2, NaZn13, and MgZn2, are well in agreement with the crystalline structures predicted by the hard-sphere model, their formation being purely driven by entropic forces. By opposition, when large and small nanocrystals are coated with two different ligands [OAM and dodecanethiol (DDT), respectively] while keeping all other experimental conditions unchanged, the final binary structures markedly change and various structures with lower packing densities, such as Cu3Au, CaB6, and quasicrystals, are observed. This effect of the nanocrystals' coating agents could also be extended to other binary systems, such as Ag-Au and CoFe2O4-Ag supracrystalline binary lattices. In order to understand this effect, a mechanism based on ligand exchange process is proposed. Ligand exchange mechanism is believed to affect the thermodynamics in the formation of binary systems composed of two sets of nanocrystals with different sizes and bearing two different coating agents. Hence, the formation of binary superlattices with lower packing densities may be favored kinetically because the required energetic penalty is smaller than that of a denser structure.

  11. Binary Galaxies in Clusters

    NASA Astrophysics Data System (ADS)

    Ip, Peter Shun Sang

    1994-01-01

    CCD images of the binary-rich clusters of galaxies A373, A408, A667, A890, and A1250 taken at the Canada-France-Hawaii telescope show that about half the binary galaxies' are actually star-galaxy or star-star pairs. These clusters are not binary-rich. N-body simulations are used to study the effect of static cluster potentials on binary and single galaxies. The softening procedure is discussed in detail. Since Plummer softening is not self-consistent, and since the force laws for various other density models are similar to each other, uniform-density softening is used. The choice of the theoretical galaxy model in terms of the potential at various locations. A fixed cluster potential cannot stabilize binary galaxies against merger, but can disrupt even quite tightly bound binaries. A moderately good predictor of whether a binary merges or disrupts is the mean torque over a quarter of the initial binary period. But the dynamics of the situation is quite complicated, and depends on an interplay between the motion of the binary through the cluster and the absorption of orbital energy by the galaxies. There is also a substantial amount of mass loss. Simulations of single galaxies in cluster show that this mass loss is due mainly to the cluster potential, and not to an interplay between the merging binary and the cluster. This mass loss is driven partially by virial equilibrium responding to the initial tidal truncation by the cluster. Besides verifying some general results of mass loss from satellite systems in the tidal field of larger bodies, it was found that the galaxy loses mass at an exponential rate.

  12. Thermodynamic estimation: Ionic materials

    SciTech Connect

    Glasser, Leslie

    2013-10-15

    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

  13. The Outflows of Binary AGB Stars

    NASA Astrophysics Data System (ADS)

    Ramstedt, S.; Vlemmings, W. H. T.; Mohamed, S.

    2015-12-01

    The required conditions for stars to evolve into planetary nebulae (PNs) continues to puzzle. Since PNs are found in a wide variety of shapes, processes that could sculpt circumstellar envelopes (CSEs) are being investigated. A binary companion will have a strong gravitational effect, but known binary AGB stars are rare. Using ALMA in Cycle 1 and 2, we have observed a small sample of well-studied, binary AGB stars, covering a decisive range in separation, in order to determine the influence of a companion on the circumstellar morphology of the AGB primary. The first steps toward interpreting and analyzing the data have been taken, and the results will be compared to 3D Smoothed Particle Hydrodynamics (SPH) models of the gravitational interaction.

  14. Nonergodic correction to a binary mixture phase diagram

    NASA Astrophysics Data System (ADS)

    Son, L.

    2016-05-01

    For a binary mixture with limited miscibility of the components, the correction to the equation of state that arises from the finite diffusion velocity is discussed. It is shown that this correction corresponds to a nonergodic microheterogeneity of the mixture. We suggest that the above microheterogeneity may be accounted as corresponding fluctuations of the chemical potential. The mean square of these fluctuations C is an additional thermodynamic variable, and the nonergodic microheterogeneity is an equilibrium property of every binary mixture with limited miscibility. The experimental status of this statement is discussed for eutectic and monotectic systems.

  15. Theoretical Thermodynamics of Mixtures at High Pressures

    NASA Technical Reports Server (NTRS)

    Hubbard, W. B.

    1985-01-01

    The development of an understanding of the chemistry of mixtures of metallic hydrogen and abundant, higher-z material such as oxygen, carbon, etc., is important for understanding of fundamental processes of energy release, differentiation, and development of atmospheric abundances in the Jovian planets. It provides a significant theoretical base for the interpretation of atmospheric elemental abundances to be provided by atmospheric entry probes in coming years. Significant differences are found when non-perturbative approaches such as Thomas-Fermi-Dirac (TFD) theory are used. Mapping of the phase diagrams of such binary mixtures in the pressure range from approx. 10 Mbar to approx. 1000 Mbar, using results from three-dimensional TFD calculations is undertaken. Derivation of a general and flexible thermodynamic model for such binary mixtures in the relevant pressure range was facilitated by the following breakthrough: there exists an accurate nd fairly simple thermodynamic representation of a liquid two-component plasma (TCP) in which the Helmholtz free energy is represented as a suitable linear combination of terms dependent only on density and terms which depend only on the ion coupling parameter. It is found that the crystal energies of mixtures of H-He, H-C, and H-O can be satisfactorily reproduced by the same type of model, except that an effective, density-dependent ionic charge must be used in place of the actual total ionic charge.

  16. Taming the binaries

    NASA Astrophysics Data System (ADS)

    Pourbaix, D.

    2008-07-01

    Astrometric binaries are both a gold mine and a nightmare. They are a gold mine because they are sometimes the unique source of orbital inclination for spectroscopic binaries, thus making it possible for astrophysicists to get some clues about the mass of the often invisible secondary. However, this is an ideal situation in the sense that one benefits from the additional knowledge that it is a binary for which some orbital parameters are somehow secured (e.g. the orbital period). On the other hand, binaries are a nightmare, especially when their binary nature is not established yet. Indeed, in such cases, depending on the time interval covered by the observations compared to the orbital period, either the parallax or the proper motion can be severely biased if the successive positions of the binary are modelled assuming it is a single star. With large survey campaigns sometimes monitoring some stars for the first time ever, it is therefore crucial to design robust reduction pipelines in which such troublesome objects are quickly identified and either removed or processed accordingly. Finally, even if an object is known not to be a single star, the binary model might turn out not to be the most appropriate for describing the observations. These different situations will be covered.

  17. Information Thermodynamics of Cytosine DNA Methylation.

    PubMed

    Sanchez, Robersy; Mackenzie, Sally A

    2016-01-01

    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 rules as do current

  18. Information Thermodynamics of Cytosine DNA Methylation

    PubMed Central

    Sanchez, Robersy; Mackenzie, Sally A.

    2016-01-01

    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 rules as do

  19. A thermodynamic model of Fe Cr spinels

    NASA Astrophysics Data System (ADS)

    Kurepin, Viktor A.

    2005-07-01

    A new thermodynamic model for multi-component spinel solid solutions has been developed which takes into account thermodynamic consequences of cation mixing in spinel sublattices. It has been applied to the evaluation of thermodynamic functions of cation mixing and thermodynamic properties of Fe3O4 FeCr2O4 spinels using intracrystalline cation distribution in magnetite, lattice parameters and activity-composition relations of magnetite chromite solid solutions. According to the model, cation distribution in binary spinels, (Fe1-x2+ Fex3+)[Fex2+Fe2-2y-x3+Cr2y]O4, and their thermodynamic properties depend strongly on Fe2+ Cr3+ cation mixing. Mixing of Fe2+ Fe3+ and Fe3+ Cr3+ can be accepted as ideal. If Fe2+, Fe3+ and Cr are denoted as 1, 3 and 4 respectively, the equation of cation distribution is -RT ln(x2/((1-x)(2-2y-x)))= ΔG13* + (1-2x)W13+y(W14-W13-W34) where ΔG13* is the difference between the Gibbs energy of inverse and normal magnetite, Wij is a Margules parameter of cation mixing and ΔG13*, J/mol =-23,000+13.4 T, W14=36 kJ/mol, W13=W34=0. The positive nonconfigurational Gibbs energy of mixing is the main reason for changing activity composition relations with temperature. According to the model, the solvus in Fe3O4 FeCr2O4 spinel has a critical temperature close to 500°C, which is consistent with mineralogical data.

  20. Gravitational wave background from binary systems

    SciTech Connect

    Rosado, Pablo A.

    2011-10-15

    Basic aspects of the background of gravitational waves and its mathematical characterization are reviewed. The spectral energy density parameter {Omega}(f), commonly used as a quantifier of the background, is derived for an ensemble of many identical sources emitting at different times and locations. For such an ensemble, {Omega}(f) is generalized to account for the duration of the signals and of the observation, so that one can distinguish the resolvable and unresolvable parts of the background. The unresolvable part, often called confusion noise or stochastic background, is made by signals that cannot be either individually identified or subtracted out of the data. To account for the resolvability of the background, the overlap function is introduced. This function is a generalization of the duty cycle, which has been commonly used in the literature, in some cases leading to incorrect results. The spectra produced by binary systems (stellar binaries and massive black hole binaries) are presented over the frequencies of all existing and planned detectors. A semi-analytical formula for {Omega}(f) is derived in the case of stellar binaries (containing white dwarfs, neutron stars or stellar-mass black holes). Besides a realistic expectation of the level of background, upper and lower limits are given, to account for the uncertainties in some astrophysical parameters such as binary coalescence rates. One interesting result concerns all current and planned ground-based detectors (including the Einstein Telescope). In their frequency range, the background of binaries is resolvable and only sporadically present. In other words, there is no stochastic background of binaries for ground-based detectors.

  1. Wormholes and thermodynamics

    NASA Astrophysics Data System (ADS)

    González-Díaz, Pedro F.

    1996-07-01

    Hawking has recently pointed out that black holes cannot evaporate and disappear through wormholes because the entropy of a baby universe would not equal its size squared times some proportionality constant. In this report it is shown that multiply connected Euclidean wormhole spacetimes can be associated with nonlinear dynamic laws which are analogous to those of nonequilibrium thermodynamics, making plausible a full generalization of thermodynamics encompassing both nonequilibrium and gravitational effects. It is seen that both at equilibrium and out of it baby universe thermodynamics can provide the right relation between the size of the originating black hole and its entropy.

  2. An Investigation of Certain Thermodynamic Losses in Minature Cryocoolers

    DTIC Science & Technology

    2007-11-02

    unlimited. 12b. DISTRIBUTION CODE A ABSTRACT (Maximum 200 words) Stirling cycle cryocoolers developed at Oxford have typically been...14. SUBJECT TERMS EOARD, Stirling , Compressor, Losses, Cryocoolers , Thermodynamics 15. NUMBER OF PAGES 16. PRICE CODE...losses ...........................................................................25 3 Executive summary Stirling cycle cryocoolers developed at

  3. Dynamical Casimir effect and minimal temperature in quantum thermodynamics

    NASA Astrophysics Data System (ADS)

    Benenti, Giuliano; Strini, Giuliano

    2015-02-01

    We study the fundamental limitations of cooling to absolute zero for a qubit, interacting with a single mode of the electromagnetic field. Our results show that the dynamical Casimir effect, which is unavoidable in any finite-time thermodynamic cycle, forbids the attainability of the absolute zero of temperature, even in the limit of an infinite number of cycles.

  4. Thermodynamics of chemical Marangoni-driven engines.

    PubMed

    Krechetnikov, Rouslan

    2017-07-19

    The goal of this paper is to perform a general thermodynamic study of Marangoni-driven engines in which chemical energy is directly transformed into mechanical motion. Given that this topic has not been discussed before, we will explore here the most basic and fundamental aspects of the phenomena at work, which leads to a number of interesting observations typical of controversies in classical thermodynamics. Starting with a discussion of a few key motivating examples of chemical Marangoni-driven phenomena - tears of wine, an oscillating pendant droplet, "beating" oil lens, and traveling waves in a circular container - and contrasting homogeneous versus inhomogeneous thermodynamic systems we naturally arrive at alternative ways of storing and generating energy with the help of inhomogeneities in the bulk and surface properties of the working media. Of particular interest here are systems with interfaces - hence, in this context we discuss the nature and efficiency of the corresponding thermodynamic cycles leading to work done as a result of a non-uniform distribution of surface tension, which is in turn induced by a non-uniform surface active substance (surfactant) distribution, for both soluble and insoluble surfactants. Based on the relevant physical parameters of the working medium we can also evaluate the isothermality, i.e. temperature variations, dissipative losses, energy output and efficiency, entropy generation, and the period of such cycles in real processes. The role of singularity formation at the interface for the existence of such thermodynamic cycles is unraveled as well. Finally the discussion is concluded with a few ideas for potential applications of Marangoni-driven engines.

  5. A thermodynamic formulation of root water uptake

    NASA Astrophysics Data System (ADS)

    Hildebrandt, Anke; Kleidon, Axel; Bechmann, Marcel

    2016-08-01

    By extracting bound water from the soil and lifting it to the canopy, root systems of vegetation perform work. Here we describe how root water uptake can be evaluated thermodynamically and demonstrate that this evaluation provides additional insights into the factors that impede root water uptake. We derive an expression that relates the energy export at the base of the root system to a sum of terms that reflect all fluxes and storage changes along the flow path in thermodynamic terms. We illustrate this thermodynamic formulation using an idealized setup of scenarios with a simple model. In these scenarios, we demonstrate why heterogeneity in soil water distribution and rooting properties affect the impediment of water flow even though the mean soil water content and rooting properties are the same across the scenarios. The effects of heterogeneity can clearly be identified in the thermodynamics of the system in terms of differences in dissipative losses and hydraulic energy, resulting in an earlier start of water limitation in the drying cycle. We conclude that this thermodynamic evaluation of root water uptake conveniently provides insights into the impediments of different processes along the entire flow path, which goes beyond resistances and also accounts for the role of heterogeneity in soil water distribution.

  6. A thermodynamical formalism describing mechanical interactions

    NASA Astrophysics Data System (ADS)

    Andrade, R. F. S.; Souza, A. M. C.; Curado, E. M. F.; Nobre, F. D.

    2014-10-01

    The dynamical behavior of an overdamped mechanical model devoid of any usual thermal effects is analyzed by a formalism that is similar to usual thermodynamics, and completely independent of any ad hoc assumption of a probability distribution of states in phase space of the mechanical model. It leads to the definition of a new entropy function, which does not coincide with the usual thermodynamical entropy. The new step making the difference to previous studies of this system is the identification of two non-equivalent mechanical interaction mechanisms, which are defined and identified as work and pseudo-heat. Together with the introduced effective temperature θ, they make it possible to characterize the equivalent to isothermal, adiabatic, isobaric, and isochoric processes. Three statements, formally analogous to the zeroth, first, and second law of thermodynamics, are issued. The statement of the second law results from the asymmetry in the way energy can be exchanged along the two processes. A Carnot cycle is defined, for which the efficiency is expressed in terms of θ in the operating pseudo-heat reservoirs. The analogous Clausius theorem for the system operating an arbitrary reversible cycle is proved, leading to the new entropy function. Consequences of the extension of thermodynamic formalism to mechanical models with different processes of transferring energy are discussed.

  7. Theory of Soret coefficients in binary organic solvents.

    PubMed

    Semenov, Semen; Schimpf, Martin

    2014-03-20

    Thermodiffusion in binary molecular liquids is examined using the nonequilibrium thermodynamic model, where the thermodynamic parameters are calculated using equations based on statistical mechanics. In this approach, thermodiffusion is quantified through the variation in binary chemical potential and its temperature and concentration dependence. The model is applied to solutions of organic solvents, in order to compare our theoretical results to experimental results from the literature. A measurable contribution of the orientation-dependent Keezom interaction is shown, where the possible orientations are averaged using the Boltzmann weighting factor. Calculations of enthalpies of evaporation from the model yield good agreement with experimental values from the literature. However, calculations of the associated energetic parameters were several times larger than those reported in the literature from numeric simulations of material transport.

  8. Turbopump thermodynamic cooling

    NASA Technical Reports Server (NTRS)

    Patten, T. C.; Mckee, H. B.

    1972-01-01

    System for cooling turbopumps used in cryogenic fluid storage facilities is described. Technique uses thermodynamic propellant vent to intercept pump heat at desired conditions. Cooling system uses hydrogen from outside source or residual hydrogen from cryogenic storage tank.

  9. Thermodynamics and Frozen Foods.

    ERIC Educational Resources Information Center

    Kerr, William L.; Reid, David S.

    1993-01-01

    The heat content of a food at a given temperature can be described by the thermodynamic property of enthalpy. Presents a method to construct a simple calorimeter for measuring the enthalpy changes of different foods during freezing. (MDH)

  10. Thermodynamics and Frozen Foods.

    ERIC Educational Resources Information Center

    Kerr, William L.; Reid, David S.

    1993-01-01

    The heat content of a food at a given temperature can be described by the thermodynamic property of enthalpy. Presents a method to construct a simple calorimeter for measuring the enthalpy changes of different foods during freezing. (MDH)

  11. Thermodynamics: A Stirling effort

    NASA Astrophysics Data System (ADS)

    Horowitz, Jordan M.; Parrondo, Juan M. R.

    2012-02-01

    The realization of a single-particle Stirling engine pushes thermodynamics into stochastic territory where fluctuations dominate, and points towards a better understanding of energy transduction at the microscale.

  12. Binary Minor Planets

    NASA Astrophysics Data System (ADS)

    Richardson, Derek C.; Walsh, Kevin J.

    2006-05-01

    A review of observations and theories regarding binary asteroids and binary trans-Neptunian objects [collectively, binary minor planets (BMPs)] is presented. To date, these objects have been discovered using a combination of direct imaging, lightcurve analysis, and radar. They are found throughout the Solar System, and present a challenge for theorists modeling their formation in the context of Solar System evolution. The most promising models invoke rotational disruption for the smallest, shortest-lived objects (the asteroids nearest to Earth), consistent with the observed fast rotation of these bodies; impacts for the larger, longer-lived asteroids in the main belt, consistent with the range of size ratios of their components and slower rotation rates; and mutual capture for the distant, icy, trans-Neptunian objects, consistent with their large component separations and near-equal sizes. Numerical simulations have successfully reproduced key features of the binaries in the first two categories; the third remains to be investigated in detail.

  13. Binaries in globular clusters

    NASA Technical Reports Server (NTRS)

    Hut, Piet; Mcmillan, Steve; Goodman, Jeremy; Mateo, Mario; Phinney, E. S.; Pryor, Carlton; Richer, Harvey B.; Verbunt, Frank; Weinberg, Martin

    1992-01-01

    Recent observations have shown that globular clusters contain a substantial number of binaries most of which are believed to be primordial. We discuss different successful optical search techniques, based on radial-velocity variables, photometric variables, and the positions of stars in the color-magnitude diagram. In addition, we review searches in other wavelengths, which have turned up low-mass X-ray binaries and more recently a variety of radio pulsars. On the theoretical side, we give an overview of the different physical mechanisms through which individual binaries evolve. We discuss the various simulation techniques which recently have been employed to study the effects of a primordial binary population, and the fascinating interplay between stellar evolution and stellar dynamics which drives globular-cluster evolution.

  14. Double Degenerate Binary Systems

    SciTech Connect

    Yakut, K.

    2011-09-21

    In this study, angular momentum loss via gravitational radiation in double degenerate binary (DDB)systems (NS + NS, NS + WD, WD + WD, and AM CVn) is studied. Energy loss by gravitational waves has been estimated for each type of systems.

  15. From Binaries to Triples

    NASA Astrophysics Data System (ADS)

    Freismuth, T.; Tokovinin, A.

    2002-12-01

    About 10% of all binary systems are close binaries (P<1000 days). Among those with P<10d, over 40% are known to belong to higher-multiplicity systems (triples, quadruples, etc.). Do ALL close systems have tertiary companions? For a selection of 12 nearby, and apparently "single" close binaries with solar-mass dwarf primary components from the 8-th catalogue of spectroscopic binary orbits, images in the B and R filters were taken at the CTIO 0.9m telescope and suitable tertiary candidates were be identified on color-magnitude diagrams (CMDs). Of the 12 SBs, four were found to have tertiary candidates: HD 67084, HD 120734, HD 93486, and VV Mon. However, none of these candidates were found to be common proper motion companions. Follow up observations using adaptive optics reveal a companion to HD 148704. Future observations are planned.

  16. The As-Cu-Ni System: A Chemical Thermodynamic Model for Ancient Recycling

    NASA Astrophysics Data System (ADS)

    Sabatini, Benjamin J.

    2015-12-01

    This article is the first thermodynamically reasoned ancient metal system assessment intended for use by archaeologists and archaeometallurgists to aid in the interpretation of remelted/recycled copper alloys composed of arsenic and copper, and arsenic, copper, and nickel. These models are meant to fulfill two main purposes: first, to be applied toward the identification of progressive and regressive temporal changes in artifact chemistry that would have occurred due to recycling, and second, to provide thermodynamic insight into why such metal combinations existed in antiquity. Built on well-established thermodynamics, these models were created using a combination of custom-written software and published binary thermodynamic systems data adjusted to within the boundary conditions of 1200°C and 1 atm. Using these parameters, the behavior of each element and their likelihood of loss in the binaries As-Cu, As-Ni, Cu-Ni, and ternary As-Cu-Ni, systems, under assumed ancient furnace conditions, was determined.

  17. A thermodynamic self-consistent theory of asymmetric hard-core Yukawa mixtures

    NASA Astrophysics Data System (ADS)

    Pellicane, Giuseppe; Caccamo, Carlo

    2016-10-01

    We perform structural and thermodynamic calculations in the framework of the modified hypernetted chain (MHNC) integral equation closure to the Ornstein-Zernike equation for binary mixtures of size-different particles interacting with hard-core Yukawa pair potentials. We use the Percus-Yevick (PY) bridge functions of a binary mixture of hard-sphere (HSM) particles. The hard-sphere diameters of the PY bridge functions of the HSM system are adjusted so to achieve thermodynamic consistency between the virial and compressibility equations of state. We show the benefit of thermodynamic consistency by comparing the MHNC results with the available computer simulation data reported in the literature, and we demonstrate that the self-consistent thermodynamic theory provides a better reproduction of the simulation data over other microscopic theories.

  18. Self-association of plant wax components: a thermodynamic analysis.

    PubMed

    Casado, C G; Heredia, A

    2001-01-01

    Excess specific heat, C(p)()(E), of binary mixtures of selected components of plant cuticular waxes has been determined. This thermodynamic parameter gives an explanation of the special molecular arrangement in crystalline and amorphous zones of plant waxes. C(p)()(E) values indicate that hydrogen bonding between chains results in the formation of amorphous zones. Conclusions on the self-asembly process of plant waxes have been also made.

  19. Thermodynamics in Fractional Calculus

    NASA Astrophysics Data System (ADS)

    Meilanov, R. P.; Magomedov, R. A.

    2014-11-01

    A generalization of thermodynamics in the formalism of fractional-order derivatives is given. Results of the traditional thermodynamics of Carnot, Clausius, and Helmholtz are obtained in the particular case where the exponent of a fractional-order derivative is equal to unity. A one-parametric "fractal" equation of state is obtained with account of the second virial coefficient. The application of the resulting equation of state in the case of the gas argon is considered.

  20. X-ray binaries

    NASA Technical Reports Server (NTRS)

    1976-01-01

    Satellite X-ray experiments and ground-based programs aimed at observation of X-ray binaries are discussed. Experiments aboard OAO-3, OSO-8, Ariel 5, Uhuru, and Skylab are included along with rocket and ground-based observations. Major topics covered are: Her X-1, Cyg X-3, Cen X-3, Cyg X-1, the transient source A0620-00, other possible X-ray binaries, and plans and prospects for future observational programs.

  1. Learning binary matroid ports

    SciTech Connect

    Coullard, C.; Hellerstein, L.

    1994-12-31

    Given a binary matroid M specified by a port oracle, we can in polynomial number of calls to the oracle construct a binary representation for M. For general matroids, we can in polynomial number of calls to a port oracle determine whether a given subset is independent (that is, we can simulate an independence oracle with a port oracle). The work is related to a theorem of Lehman on matroid ports, and is motivated by issues in computational learning theory.

  2. Binary-Symmetry Detection

    NASA Technical Reports Server (NTRS)

    Lopez, Hiram

    1987-01-01

    Transmission errors for zeros and ones tabulated separately. Binary-symmetry detector employs psuedo-random data pattern used as test message coming through channel. Message then modulo-2 added to locally generated and synchronized version of test data pattern in same manner found in manufactured test sets of today. Binary symmetrical channel shows nearly 50-percent ones to 50-percent zeroes correspondence. Degree of asymmetry represents imbalances due to either modulation, transmission, or demodulation processes of system when perturbed by noise.

  3. Spectroscopic Binary Stars

    NASA Astrophysics Data System (ADS)

    Batten, A.; Murdin, P.

    2000-11-01

    Historically, spectroscopic binary stars were binary systems whose nature was discovered by the changing DOPPLER EFFECT or shift of the spectral lines of one or both of the component stars. The observed Doppler shift is a combination of that produced by the constant RADIAL VELOCITY (i.e. line-of-sight velocity) of the center of mass of the whole system, and the variable shift resulting from the o...

  4. Scattering from binary optics

    NASA Technical Reports Server (NTRS)

    Ricks, Douglas W.

    1993-01-01

    There are a number of sources of scattering in binary optics: etch depth errors, line edge errors, quantization errors, roughness, and the binary approximation to the ideal surface. These sources of scattering can be systematic (deterministic) or random. In this paper, scattering formulas for both systematic and random errors are derived using Fourier optics. These formulas can be used to explain the results of scattering measurements and computer simulations.

  5. Introduction to combined cycles

    NASA Astrophysics Data System (ADS)

    Moore, M. J.

    Ideas and concepts underlying the technology of combined cycles including the scientific principles involved and the reasons these cycles are in fashion at the present time, are presented. A cycle is a steady flow process for conversion of heat energy into work, in which a working medium passes through a range of states, returning to its original state. Cycles for power production are the steam cycle, which is a closed cycle, and the gas turbine, which represents an open cycle. Combined cycle thermodynamic parameters, are discussed. The general arrangement of the plant is outlined and important features of their component parts described. The scope for future development is discussed. It is concluded that for the next few years the natural gas fired combined cycle will be the main type of plant installed for electricity generation and cogeneration. Whilst gas turbines may not increase substantially in unit size, there remains scope for further increase in firing temperature with consequent increase in cycle performance. However the larger global reserves of coal are providing an incentive to the development of plant for clean coal combustion using the inherent advantage of the combined cycle to attain high efficiencies.

  6. Thermodynamics of fractal universe

    NASA Astrophysics Data System (ADS)

    Sheykhi, Ahmad; Teimoori, Zeinab; Wang, Bin

    2013-01-01

    We investigate the thermodynamical properties of the apparent horizon in a fractal universe. We find that one can always rewrite the Friedmann equation of the fractal universe in the form of the entropy balance relation δQ=ThdSh, where δQ and Th are the energy flux and Unruh temperature seen by an accelerated observer just inside the apparent horizon. We find that the entropy Sh consists two terms, the first one which obeys the usual area law and the second part which is the entropy production term due to nonequilibrium thermodynamics of fractal universe. This shows that in a fractal universe, a treatment with nonequilibrium thermodynamics of spacetime may be needed. We also study the generalized second law of thermodynamics in the framework of fractal universe. When the temperature of the apparent horizon and the matter fields inside the horizon are equal, i.e. T=Th, the generalized second law of thermodynamics can be fulfilled provided the deceleration and the equation of state parameters ranges either as -1⩽q<0, -1⩽w<-1/3 or as q<-1, w<-1 which are consistent with recent observations. We also find that for Th=bT, with b<1, the GSL of thermodynamics can be secured in a fractal universe by suitably choosing the fractal parameter β.

  7. Heat Cycle Reserch Experimental Program report, FY-84

    SciTech Connect

    Whitbeck, J.F.

    1984-09-01

    The Heat Cycle Research Facility (HCRF) is an experimental binary-cycle facility used to investigate different concepts and/or components for generating electrical power from a geothermal resource. This report briefly desc

  8. Spinodal decomposition of chemically reactive binary mixtures

    NASA Astrophysics Data System (ADS)

    Lamorgese, A.; Mauri, R.

    2016-08-01

    We simulate the influence of a reversible isomerization reaction on the phase segregation process occurring after spinodal decomposition of a deeply quenched regular binary mixture, restricting attention to systems wherein material transport occurs solely by diffusion. Our theoretical approach follows a diffuse-interface model of partially miscible binary mixtures wherein the coupling between reaction and diffusion is addressed within the frame of nonequilibrium thermodynamics, leading to a linear dependence of the reaction rate on the chemical affinity. Ultimately, the rate for an elementary reaction depends on the local part of the chemical potential difference since reaction is an inherently local phenomenon. Based on two-dimensional simulation results, we express the competition between segregation and reaction as a function of the Damköhler number. For a phase-separating mixture with components having different physical properties, a skewed phase diagram leads, at large times, to a system converging to a single-phase equilibrium state, corresponding to the absolute minimum of the Gibbs free energy. This conclusion continues to hold for the critical phase separation of an ideally perfectly symmetric binary mixture, where the choice of final equilibrium state at large times depends on the initial mean concentration being slightly larger or less than the critical concentration.

  9. Thermodynamics applied to iron smelting techniques

    NASA Astrophysics Data System (ADS)

    Cavallini, Mauro

    2013-12-01

    Thermodynamics allows us to understand the chemical reactions occurring inside an experimental archaeometallurgical shaft furnace for iron smelting. The production of an iron bloom, with the so-called direct process, is described in a daily pyrometallurgical cycle. The experiences suggest that, as higher and better blown furnaces were built for improving the production, different reactions have been involved and a new material, pig iron, has been obtained

  10. Second law of thermodynamics with discrete quantum feedback control.

    PubMed

    Sagawa, Takahiro; Ueda, Masahito

    2008-02-29

    A new thermodynamic inequality is derived which leads to the maximum work that can be extracted from multi-heat-baths with the assistance of discrete quantum feedback control. The maximum work is determined by the free-energy difference and a generalized mutual information content between the thermodynamic system and the feedback controller. This maximum work can exceed that in conventional thermodynamics and, in the case of a heat cycle with two heat baths, the heat efficiency can be greater than that of the Carnot cycle. The consistency of our results with the second law of thermodynamics is ensured by the fact that work is needed for information processing of the feedback controller.

  11. Second Law of Thermodynamics with Discrete Quantum Feedback Control

    NASA Astrophysics Data System (ADS)

    Sagawa, Takahiro; Ueda, Masahito

    2008-02-01

    A new thermodynamic inequality is derived which leads to the maximum work that can be extracted from multi-heat-baths with the assistance of discrete quantum feedback control. The maximum work is determined by the free-energy difference and a generalized mutual information content between the thermodynamic system and the feedback controller. This maximum work can exceed that in conventional thermodynamics and, in the case of a heat cycle with two heat baths, the heat efficiency can be greater than that of the Carnot cycle. The consistency of our results with the second law of thermodynamics is ensured by the fact that work is needed for information processing of the feedback controller.

  12. Analysis of phase sensitivity for binary computer-generated holograms.

    PubMed

    Chang, Yu-Chun; Zhou, Ping; Burge, James H

    2006-06-20

    A binary diffraction model is introduced to study the sensitivity of the wavefront phase of binary computer-generated holograms on groove depth and duty-cycle variations. Analytical solutions to diffraction efficiency, diffracted wavefront phase functions, and wavefront sensitivity functions are derived. The derivation of these relationships is obtained by using the Fourier method. Results from experimental data confirm the analysis. Several phase anomalies were discovered, and a simple graphical model of the complex fields is applied to explain these phenomena.

  13. Thermodynamic aspects of small 4.2-K cryocoolers

    NASA Astrophysics Data System (ADS)

    Pirtle, F. W.; Lessard, P. A.; Kaufman, J. M.; Kerney, P. J.

    Advantages regarding a use of superconducting electronic devices are related to potential benefits in size, weight, accuracy, sensitivity, and reproducibility. For the employment of such devices, suitable cryogenic systems are needed. As closed cycle coolers have advantages with respect to potential size, weight, and longevity, an investigation has been performed for the evaluation of different closed cycle system options from a thermodynamic point of view. A survey of available technology is provided, and aspects of thermodynamic optimization are explored, taking into account the single engine Claude cycle, regenerative cycles with J-T loops, and a comparison of the total power requirements for the three cycles. A study is conducted of wet (two-phase) expanders, cold gas compressors, and ejectors to determine potential improvements to the J-T sections of the various cycles.

  14. Advanced binary geothermal power plants: Limits of performance

    NASA Astrophysics Data System (ADS)

    Bliem, C. J.; Mines, G. L.

    1991-01-01

    The Heat Cycle Research Program is investigating potential improvements to power cycles utilizing moderate temperature geothermal resources to produce electrical power. Investigations have specifically examined Rankine cycle binary power systems. Binary Rankine cycles are more efficient than the flash steam cycles at moderate resource temperature, achieving a higher net brine effectiveness. At resource conditions similar to those at the Heber binary plant, it has been shown that mixtures of saturated hydrocarbons (alkanes) or halogenated hydrocarbons operating in a supercritical Rankine cycle gave improved performance over Rankine cycles with the pure working fluids executing single or dual boiling cycles or supercritical cycles. Recently, other types of cycles have been proposed for binary geothermal service. The feasible limits on efficiency of a plant given practical limits on equipment performance is explored and the methods used in these advanced concept plants to achieve the maximum possible efficiency are discussed. (Here feasible is intended to mean reasonably achievable and not cost effective.) No direct economic analysis was made because of the sensitivity of economic results to site specific input. The limit of performance of three advanced plants were considered. The performance predictions were taken from the developers of each concept. The advanced plants considered appear to be approaching the feasible limit of performance. Ultimately, the plant designer must weigh the advantages and disadvantages of the the different cycles to find the best plant for a given service. In addition, a standard is presented of comparison of the work which has been done in the Heat Cycle Research Program and in the industrial sector by Exergy, Inc. and Polythermal Technologies.

  15. Solar System binaries

    NASA Astrophysics Data System (ADS)

    Noll, Keith S.

    The discovery of binaries in each of the major populations of minor bodies in the solar system is propelling a rapid growth of heretofore unattainable physical information. The availability of mass and density constraints for minor bodies opens the door to studies of internal structure, comparisons with meteorite samples, and correlations between bulk-physical and surface-spectral properties. The number of known binaries is now more than 70 and is growing rapidly. A smaller number have had the extensive followup observations needed to derive mass and albedo information, but this list is growing as well. It will soon be the case that we will know more about the physical parameters of objects in the Kuiper Belt than has been known about asteroids in the Main Belt for the last 200 years. Another important aspect of binaries is understanding the mechanisms that lead to their formation and survival. The relative sizes and separations of binaries in the different minor body populations point to more than one mechanism for forming bound pairs. Collisions appear to play a major role in the Main Belt. Rotational and/or tidal fission may be important in the Near Earth population. For the Kuiper Belt, capture in multi-body interactions may be the preferred formation mechanism. However, all of these conclusions remain tentative and limited by observational and theoretical incompleteness. Observational techniques for identifying binaries are equally varied. High angular resolution observations from space and from the ground are critical for detection of the relatively distant binaries in the Main Belt and the Kuiper Belt. Radar has been the most productive method for detection of Near Earth binaries. Lightcurve analysis is an independent technique that is capable of exploring phase space inaccessible to direct observations. Finally, spacecraft flybys have played a crucial paradigm-changing role with discoveries that unlocked this now-burgeoning field.

  16. Methods for thermodynamic evaluation of battery state of health

    DOEpatents

    Yazami, Rachid; McMenamin, Joseph; Reynier, Yvan; Fultz, Brent T

    2013-05-21

    Described are systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and battery systems and for characterizing the state of health of electrodes and battery systems. Measurement of physical attributes of electrodes and batteries corresponding to thermodynamically stabilized electrode conditions permit determination 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 battery systems, such as energy, power density, current rate, cycle life and state of health. Also provided are systems and methods for charging a battery according to its state of health.

  17. Session 9: Heber Geothermal Binary Demonstration Project

    SciTech Connect

    Allen, Richard F.; Nelson, Tiffany T.

    1983-12-01

    The Heber Binary Project had its beginning in studies performed for the Electric Power Research Institute (EPRI), which identified the need for commercial scale (50 Mw or larger) demonstration of the binary cycle technology. In late 1980, SDG&E and the Department of Energy (DOE) signed a Cooperative Agreement calling for DOE to share in 50 percent of the Project costs. Similarly, SDG&E signed Project participation agreements with EPRI, the Imperial Irrigation District, California Department of Water Resources, and Southern California Edison Company, which provided the remaining 50 percent of the required funding. In 1982, the State of California also joined the Project. The objectives of the Heber Binary Project are to demonstrate the potential of moderate-temperature (below 410 F) geothermal energy to produce economic electric power with binary cycle conversion technology, and to establish schedule, cost and equipment performance, reservoir performance, and the environmental acceptability of such plants. The plant will be the first large-scale power generating facility in the world utilizing the binary conversion process, and it is expected that information resulting from this Project will be applicable to a wide range of moderate-temperature hydrothermal reservoirs, which represent 80 percent of geothermal resources in the United States. To accomplish the plant engineering, design, and equipment procurement, SDG&E has hired Fluor Engineers, Inc., Power Division, of Irvine, California. In early 1982, SDG&E contracted for construction management services with Dravo Constructors, Inc. (DCI) of New York. DCI is responsible for casting the Fluor design into construction packages, letting the construction contracts, and overseeing the construction in the field.

  18. Evolution in thermodynamics

    NASA Astrophysics Data System (ADS)

    Bejan, Adrian

    2017-03-01

    This review covers two aspects of "evolution" in thermodynamics. First, with the constructal law, thermodynamics is becoming the domain of physics that accounts for the phenomenon of evolution in nature, in general. Second, thermodynamics (and science generally) is the evolving add-on that empowers humans to predict the future and move more easily on earth, farther and longer in time. The part of nature that thermodynamics represents is this: nothing moves by itself unless it is driven by power, which is then destroyed (dissipated) during movement. Nothing evolves unless it flows and has the freedom to change its architecture such that it provides greater and easier access to the available space. Thermodynamics is the modern science of heat and work and their usefulness, which comes from converting the work (power) into movement (life) in flow architectures that evolve over time to facilitate movement. I also review the rich history of the science, and I clarify misconceptions regarding the second law, entropy, disorder, and the arrow of time, and the supposed analogy between heat and work.

  19. Thermodynamics and evolution.

    PubMed

    Demetrius, L

    2000-09-07

    The science of thermodynamics is concerned with understanding the properties of inanimate matter in so far as they are determined by changes in temperature. The Second Law asserts that in irreversible processes there is a uni-directional increase in thermodynamic entropy, a measure of the degree of uncertainty in the thermal energy state of a randomly chosen particle in the aggregate. The science of evolution is concerned with understanding the properties of populations of living matter in so far as they are regulated by changes in generation time. Directionality theory, a mathematical model of the evolutionary process, establishes that in populations subject to bounded growth constraints, there is a uni-directional increase in evolutionary entropy, a measure of the degree of uncertainty in the age of the immediate ancestor of a randomly chosen newborn. This article reviews the mathematical basis of directionality theory and analyses the relation between directionality theory and statistical thermodynamics. We exploit an analytic relation between temperature, and generation time, to show that the directionality principle for evolutionary entropy is a non-equilibrium extension of the principle of a uni-directional increase of thermodynamic entropy. The analytic relation between these directionality principles is consistent with the hypothesis of the equivalence of fundamental laws as one moves up the hierarchy, from a molecular ensemble where the thermodynamic laws apply, to a population of replicating entities (molecules, cells, higher organisms), where evolutionary principles prevail.

  20. Thermodynamics of Biological Processes

    PubMed Central

    Garcia, Hernan G.; Kondev, Jane; Orme, Nigel; Theriot, Julie A.; Phillips, Rob

    2012-01-01

    There is a long and rich tradition of using ideas from both equilibrium thermodynamics and its microscopic partner theory of equilibrium statistical mechanics. In this chapter, we provide some background on the origins of the seemingly unreasonable effectiveness of ideas from both thermodynamics and statistical mechanics in biology. After making a description of these foundational issues, we turn to a series of case studies primarily focused on binding that are intended to illustrate the broad biological reach of equilibrium thinking in biology. These case studies include ligand-gated ion channels, thermodynamic models of transcription, and recent applications to the problem of bacterial chemotaxis. As part of the description of these case studies, we explore a number of different uses of the famed Monod–Wyman–Changeux (MWC) model as a generic tool for providing a mathematical characterization of two-state systems. These case studies should provide a template for tailoring equilibrium ideas to other problems of biological interest. PMID:21333788

  1. Thermodynamics of Nonadditive Systems.

    PubMed

    Latella, Ivan; Pérez-Madrid, Agustín; Campa, Alessandro; Casetti, Lapo; Ruffo, Stefano

    2015-06-12

    The usual formulation of thermodynamics is based on the additivity of macroscopic systems. However, there are numerous examples of macroscopic systems that are not additive, due to the long-range character of the interaction among the constituents. We present here an approach in which nonadditive systems can be described within a purely thermodynamics formalism. The basic concept is to consider a large ensemble of replicas of the system where the standard formulation of thermodynamics can be naturally applied and the properties of a single system can be consequently inferred. After presenting the approach, we show its implementation in systems where the interaction decays as 1/r(α) in the interparticle distance r, with α smaller than the embedding dimension d, and in the Thirring model for gravitational systems.

  2. Thermodynamics "beyond" local equilibrium

    NASA Astrophysics Data System (ADS)

    Vilar, Jose; Rubi, Miguel

    2002-03-01

    Nonequilibrium thermodynamics has shown its applicability in a wide variety of different situations pertaining to fields such as physics, chemistry, biology, and engineering. As successful as it is, however, its current formulation considers only systems close to equilibrium, those satisfying the so-called local equilibrium hypothesis. Here we show that diffusion processes that occur far away from equilibrium can be viewed as at local equilibrium in a space that includes all the relevant variables in addition to the spatial coordinate. In this way, nonequilibrium thermodynamics can be used and the difficulties and ambiguities associated with the lack of a thermodynamic description disappear. We analyze explicitly the inertial effects in diffusion and outline how the main ideas can be applied to other situations. [J.M.G. Vilar and J.M. Rubi, Proc. Natl. Acad. Sci. USA 98, 11081-11084 (2001)].

  3. Binary ferrihydrite catalysts

    DOEpatents

    Huffman, G.P.; Zhao, J.; Feng, Z.

    1996-12-03

    A method of preparing a catalyst precursor comprises dissolving an iron salt and a salt of an oxoanion forming agent, in water so that a solution of the iron salt and oxoanion forming agent salt has a ratio of oxoanion/Fe of between 0.0001:1 to 0.5:1. Next is increasing the pH of the solution to 10 by adding a strong base followed by collecting of precipitate having a binary ferrihydrite structure. A binary ferrihydrite catalyst precursor is also prepared by dissolving an iron salt in water. The solution is brought to a pH of substantially 10 to obtain ferrihydrite precipitate. The precipitate is then filtered and washed with distilled water and subsequently admixed with a hydroxy carboxylic acid solution. The admixture is mixed/agitated and the binary ferrihydrite precipitate is then filtered and recovered. 3 figs.

  4. Binary and Millisecond Pulsars.

    PubMed

    Lorimer, Duncan R

    2008-01-01

    We review the main properties, demographics and applications of binary and millisecond radio pulsars. Our knowledge of these exciting objects has greatly increased in recent years, mainly due to successful surveys which have brought the known pulsar population to over 1800. There are now 83 binary and millisecond pulsars associated with the disk of our Galaxy, and a further 140 pulsars in 26 of the Galactic globular clusters. Recent highlights include the discovery of the young relativistic binary system PSR J1906+0746, a rejuvination in globular cluster pulsar research including growing numbers of pulsars with masses in excess of 1.5 M⊙, a precise measurement of relativistic spin precession in the double pulsar system and a Galactic millisecond pulsar in an eccentric (e = 0.44) orbit around an unevolved companion.

  5. Binary ferrihydrite catalysts

    DOEpatents

    Huffman, Gerald P.; Zhao, Jianmin; Feng, Zhen

    1996-01-01

    A method of preparing a catalyst precursor comprises dissolving an iron salt and a salt of an oxoanion forming agent, in water so that a solution of the iron salt and oxoanion forming agent salt has a ratio of oxoanion/Fe of between 0.0001:1 to 0.5:1. Next is increasing the pH of the solution to 10 by adding a strong base followed by collecting of precipitate having a binary ferrihydrite structure. A binary ferrihydrite catalyst precursor is also prepared by dissolving an iron salt in water. The solution is brought to a pH of substantially 10 to obtain ferrihydrite precipitate. The precipitate is then filtered and washed with distilled water and subsequently admixed with a hydroxy carboxylic acid solution. The admixture is mixed/agitated and the binary ferrihydrite precipitate is then filtered and recovered.

  6. Binary catalogue of exoplanets

    NASA Astrophysics Data System (ADS)

    Schwarz, Richard; Bazso, Akos; Zechner, Renate; Funk, Barbara

    2016-02-01

    Since 1995 there is a database which list most of the known exoplanets (The Extrasolar Planets Encyclopaedia at http://exoplanet.eu/). With the growing number of detected exoplanets in binary and multiple star systems it became more important to mark and to separate them into a new database, which is not available in the Extrasolar Planets Encyclopaedia. Therefore we established an online database (which can be found at: http://www.univie.ac.at/adg/schwarz/multiple.html) for all known exoplanets in binary star systems and in addition for multiple star systems, which will be updated regularly and linked to the Extrasolar Planets Encyclopaedia. The binary catalogue of exoplanets is available online as data file and can be used for statistical purposes. Our database is divided into two parts: the data of the stars and the planets, given in a separate list. We describe also the different parameters of the exoplanetary systems and present some applications.

  7. Thermodynamics of graphene

    NASA Astrophysics Data System (ADS)

    Rusanov, A. I.

    2014-12-01

    The 21st century has brought a lot of new results related to graphene. Apparently, graphene has been characterized from all points of view except surface science and, especially, surface thermodynamics. This report aims to close this gap. Since graphene is the first real two-dimensional solid, a general formulation of the thermodynamics of two-dimensional solid bodies is given. The two-dimensional chemical potential tensor coupled with stress tensor is introduced, and fundamental equations are derived for energy, free energy, grand thermodynamic potential (in the classical and hybrid forms), enthalpy, and Gibbs energy. The fundamentals of linear boundary phenomena are formulated with explaining the concept of a dividing line, the mechanical and thermodynamic line tensions, line energy and other linear properties with necessary thermodynamic equations. The one-dimensional analogs of the Gibbs adsorption equation and Shuttleworth-Herring relation are presented. The general thermodynamic relationships are illustrated with calculations based on molecular theory. To make the reader sensible of the harmony of chemical and van der Waals forces in graphene, the remake of the classical graphite theory is presented with additional variable combinations of graphene sheets. The calculation of the line energy of graphene is exhibited including contributions both from chemical bonds and van der Waals forces (expectedly, the latter are considerably smaller than the former). The problem of graphene holes originating from migrating vacancies is discussed on the basis of the Gibbs-Curie principle. An important aspect of line tension is the planar sheet/nanotube transition where line tension acts as a driving force. Using the bending stiffness of graphene, the possible radius range is estimated for achiral (zigzag and armchair) nanotubes.

  8. Thermodynamics and evolutionary genetics

    NASA Astrophysics Data System (ADS)

    Müller, Ingo

    2010-03-01

    Thermodynamics and evolutionary genetics have something in common. Thus, the randomness of mutation of cells may be likened to the random thermal fluctuations in a gas. And the probabilistic nature of entropy in statistical thermodynamics can be carried over to a population of haploid and diploid cells without any conceptual change. The energetic potential wells in which the atoms of a liquid are caught correspond to selective advantages for some phenotype over others. Thus, the eventual stable state in a population comes about as a compromise in the universal competition between entropy and energy.

  9. Viscoplasticity: A thermodynamic formulation

    NASA Technical Reports Server (NTRS)

    Freed, A. D.; Chaboche, J. L.

    1989-01-01

    A thermodynamic foundation using the concept of internal state variables is given for a general theory of viscoplasticity, as it applies to initially isotropic materials. Three fundamental internal state variables are admitted. They are: a tensor valued back stress for kinematic effects, and the scalar valued drag and yield strengths for isotropic effects. All three are considered to phenomenologically evolve according to competitive processes between strain hardening, strain induced dynamic recovery, and time induced static recovery. Within this phenomenological framework, a thermodynamically admissible set of evolution equations is put forth. This theory allows each of the three fundamental internal variables to be composed as a sum of independently evolving constituents.

  10. Components in Chemical Thermodynamics

    NASA Astrophysics Data System (ADS)

    Alberty, Robert A.

    1995-09-01

    Chemical equations are actually matrix equations, and this has important implications for their thermodynamic treatment. The fundamental equation for chemical thermodynamics for a chemical reaction system can be written in terms of species, but at chemical equilibrium, it has to be written in terms of components. The number of components is equal to the number of species minus the number of independent chemical reactions. The fundamental equation for the Gibbs energy of a system containing ethylene, methane, ethane, and propane is discussed. At chemical equilibrium there are two components, which can be taken to be carbon and hydrogen or ethylene and methane. There are advantages in using matrix notation.

  11. Mechanics, Waves and Thermodynamics

    NASA Astrophysics Data System (ADS)

    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.

  12. Inflight thermodynamic properties

    NASA Technical Reports Server (NTRS)

    Brown, S. C.; Daniels, G. E.; Johnson, D. L.; Smith, O. E.

    1973-01-01

    The inflight thermodynamic parameters (temperature, pressure, and density) of the atmosphere are presented. Mean and extreme values of the thermodynamic parameters given here can be used in application of many aerospace problems, such as: (1) research and planning and engineering design of remote earth sensing systems; (2) vehicle design and development; and (3) vehicle trajectory analysis, dealing with vehicle thrust, dynamic pressure, aerodynamic drag, aerodynamic heating, vibration, structural and guidance limitations, and reentry analysis. Atmospheric density plays a very important role in most of the above problems. A subsection on reentry is presented, giving atmospheric models to be used for reentry heating, trajectory, etc., analysis.

  13. Thermodynamics of ABC transporters.

    PubMed

    Zhang, Xuejun C; Han, Lei; Zhao, Yan

    2016-01-01

    ABC transporters form the largest of all transporter families, and their structural study has made tremendous progress over recent years. However, despite such advances, the precise mechanisms that determine the energy-coupling between ATP hydrolysis and the conformational changes following substrate binding remain to be elucidated. Here, we present our thermodynamic analysis for both ABC importers and exporters, and introduce the two new concepts of differential-binding energy and elastic conformational energy into the discussion. We hope that the structural analysis of ABC transporters will henceforth take thermodynamic aspects of transport mechanisms into account as well.

  14. Thermodynamics of lattice OCD

    SciTech Connect

    Matsuoka, H.

    1985-01-01

    The thermodynamic consequences of QCD are explored in the framework of lattice gauge theory. Attention is focused upon the nature of the chiral symmetry restoration transition at finite temperature and at finite baryon density, and possible strategies for identifying relevant thermodynamic phases are discussed. Some numerical results are presented on the chiral symmetry restoration in the SU(2) gauge theory at high baryon density. The results suggest that with T approx. = 110 MeV there is a second order restoration transition at the critical baryon density n/sub B//sup c/ approx. = 0.62 fm/sup -3/.

  15. Beyond Equilibrium Thermodynamics

    NASA Astrophysics Data System (ADS)

    Öttinger, Hans Christian

    2005-01-01

    Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.

  16. Thermochemical cycles

    NASA Technical Reports Server (NTRS)

    Funk, J. E.; Soliman, M. A.; Carty, R. H.; Conger, W. L.; Cox, K. E.; Lawson, D.

    1975-01-01

    The thermochemical production of hydrogen is described along with the HYDRGN computer program which attempts to rate the various thermochemical cycles. Specific thermochemical cycles discussed include: iron sulfur cycle; iron chloride cycle; and hybrid sulfuric acid cycle.

  17. Binary and Millisecond Pulsars.

    PubMed

    Lorimer, Duncan R

    2005-01-01

    We review the main properties, demographics and applications of binary and millisecond radio pulsars. Our knowledge of these exciting objects has greatly increased in recent years, mainly due to successful surveys which have brought the known pulsar population to over 1700. There are now 80 binary and millisecond pulsars associated with the disk of our Galaxy, and a further 103 pulsars in 24 of the Galactic globular clusters. Recent highlights have been the discovery of the first ever double pulsar system and a recent flurry of discoveries in globular clusters, in particular Terzan 5.

  18. Binary Oscillatory Crossflow Electrophoresis

    NASA Technical Reports Server (NTRS)

    Molloy, Richard F.; Gallagher, Christopher T.; Leighton, David T., Jr.

    1996-01-01

    We present preliminary results of our implementation of a novel electrophoresis separation technique: Binary Oscillatory Cross flow Electrophoresis (BOCE). The technique utilizes the interaction of two driving forces, an oscillatory electric field and an oscillatory shear flow, to create an active binary filter for the separation of charged species. Analytical and numerical studies have indicated that this technique is capable of separating proteins with electrophoretic mobilities differing by less than 10%. With an experimental device containing a separation chamber 20 cm long, 5 cm wide, and 1 mm thick, an order of magnitude increase in throughput over commercially available electrophoresis devices is theoretically possible.

  19. Identification list of binaries

    NASA Astrophysics Data System (ADS)

    Malkov,, O.; Karchevsky,, A.; Kaygorodov, P.; Kovaleva, D.

    The Identification List of Binaries (ILB) is a star catalogue constructed to facilitate cross-referencing between different catalogues of binary stars. As of 2015, it comprises designations for approximately 120,000 double/multiple systems. ILB contains star coordinates and cross-references to the Bayer/Flemsteed, DM (BD/CD/CPD), HD, HIP, ADS, WDS, CCDM, TDSC, GCVS, SBC9, IGR (and some other X-ray catalogues), PSR designations, as well as identifications in the recently developed BSDB system. ILB eventually became a part of the BDB stellar database.

  20. Beam scanning binary logic

    NASA Astrophysics Data System (ADS)

    Itoh, Hideo; Mukai, Seiji; Watanabe, Masanobu; Mori, Masahiko; Yajima, Hiroyoshi

    1990-07-01

    A beam-scanning laser diode (BSLD) is presently applied to a novel optoelectronic logic operation, designated 'beam-scanning binary logic' (BSBL), that covers the implementation of both the basic logic gates and a spatial code encoder for photodetection, while allowing a greater reduction of the number of active devices than ordinary binary logic operations. BSBL executes multifunctional logic operations simultaneously. The data connections between logic gates in BSLD are flexible, due to the ability to electrically control both output power and laser-beam direction.

  1. T Tauri Spectroscopic Binaries

    NASA Astrophysics Data System (ADS)

    Dudorov, A. E.; Eretnova, O. V.

    2017-06-01

    The Hertzsprung-Russell diagram, the excess radius-age, and the eccentricity-period relations are constructed for double-lined spectroscopic T Tauri binaries. The masses and the ages of the classical T Tauri and the weak-line T Tauri stars are compared. All components of T Tauri stars have the excess radius in comparison with initial Main Sequence stars of corresponding mass. The younger the star the more excess radius it has. The overwhelming majority of close binaries (P<10d) have eccentricity near to zero. The fraction of quadruple systems in our sample are higher than for Main Sequence stars.

  2. Variable pressure power cycle and control system

    DOEpatents

    Goldsberry, Fred L.

    1984-11-27

    A variable pressure power cycle and control system that is adjustable to a variable heat source is disclosed. The power cycle adjusts itself to the heat source so that a minimal temperature difference is maintained between the heat source fluid and the power cycle working fluid, thereby substantially matching the thermodynamic envelope of the power cycle to the thermodynamic envelope of the heat source. Adjustments are made by sensing the inlet temperature of the heat source fluid and then setting a superheated vapor temperature and pressure to achieve a minimum temperature difference between the heat source fluid and the working fluid.

  3. Dixie Valley Bottoming Binary Unit

    SciTech Connect

    McDonald, Dale

    2014-12-21

    This binary plant is the first air cooled, high-output refrigeration based waste heat recovery cycle in the industry. Its working fluid is environmentally friendly and as such, the permits that would be required with a hydrocarbon based cycle are not necessary. The unit is largely modularized, meaning that the unit’s individual skids were assembled in another location and were shipped via truck to the plant site. The Air Cooled Condensers (ACC), equipment piping, and Balance of Plant (BOP) piping were constructed at site. This project further demonstrates the technical feasibility of using low temperature brine for geothermal power utilization. The development of the unit led to the realization of low temperature, high output, and environmentally friendly heat recovery systems through domestic research and engineering. The project generates additional renewable energy, resulting in cleaner air and reduced carbon dioxide emissions. Royalty and tax payments to governmental agencies will increase, resulting in reduced financial pressure on local entities. The major components of the unit were sourced from American companies, resulting in increased economic activity throughout the country.

  4. Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

    ERIC Educational Resources Information Center

    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)

  5. Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

    ERIC Educational Resources Information Center

    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)

  6. Binary coding for hyperspectral imagery

    NASA Astrophysics Data System (ADS)

    Wang, Jing; Chang, Chein-I.; Chang, Chein-Chi; Lin, Chinsu

    2004-10-01

    Binary coding is one of simplest ways to characterize spectral features. One commonly used method is a binary coding-based image software system, called Spectral Analysis Manager (SPAM) for remotely sensed imagery developed by Mazer et al. For a given spectral signature, the SPAM calculates its spectral mean and inter-band spectral difference and uses them as thresholds to generate a binary code word for this particular spectral signature. Such coding scheme is generally effective and also very simple to implement. This paper revisits the SPAM and further develops three new SPAM-based binary coding methods, called equal probability partition (EPP) binary coding, halfway partition (HP) binary coding and median partition (MP) binary coding. These three binary coding methods along with the SPAM well be evaluated for spectral discrimination and identification. In doing so, a new criterion, called a posteriori discrimination probability (APDP) is also introduced for performance measure.

  7. Eclipsing Binary Update, No. 2.

    NASA Astrophysics Data System (ADS)

    Williams, D. B.

    1996-01-01

    Contents: 1. Wrong again! The elusive period of DHK 41. 2. Stars observed and not observed. 3. Eclipsing binary chart information. 4. Eclipsing binary news and notes. 5. A note on SS Arietis. 6. Featured star: TX Ursae Majoris.

  8. Available Energy via Nonequilibrium Thermodynamics.

    ERIC Educational Resources Information Center

    Woollett, E. L.

    1979-01-01

    Presents basic relations involving the concept of available energy that are derived from the local equations of nonequilibrium thermodynamics. The equations and applications of the local thermodynamic equilibrium LTD model are also presented. (HM)

  9. A Hamiltonian approach to Thermodynamics

    SciTech Connect

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

    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.

  10. Fluctuating Thermodynamics for Biological Processes

    NASA Astrophysics Data System (ADS)

    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.

  11. On Teaching Thermodynamics

    ERIC Educational Resources Information Center

    Debbasch, F.

    2011-01-01

    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  12. Thermodynamics in dynamical spacetimes

    NASA Astrophysics Data System (ADS)

    Tresguerres, Romualdo

    2014-03-01

    We derive a general formulation of the laws of irreversible thermodynamics in the presence of electromagnetism and gravity. For the handling of macroscopic material media, we use as a guide the field equations and the Noether identities of fundamental matter as deduced in the framework of gauge theories of the Poincaré ⊗ U(1) group.

  13. Thermodynamics of liquid metal

    SciTech Connect

    Kushnirenko, A.N.

    1988-01-01

    The thermodynamics of a liquid metal based on quantum-mechanical models of the crystal, electronic, and nuclear structures of the metal are derived in this paper. The models are based on such formulations as the Bohr radius, the Boltzmann constant, the Planck Law, the Fermi surface, and the Pauli principle.

  14. Thermodynamics with Design Problems.

    ERIC Educational Resources Information Center

    Cilento, E. V.; Sears, J. T.

    1983-01-01

    Discusses how basic thermodynamics concepts are integrated with design problems. Includes course goals, instructional strategies, and major advantages/disadvantages of the integrated design approach. Advantages include making subject more concrete, emphasizing interrelation of variables, and reinforcing concepts by use in design analysis; whereas…

  15. Program Computes Thermodynamic Functions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1994-01-01

    PAC91 is latest in PAC (Properties and Coefficients) series. Two principal features are to provide means of (1) generating theoretical thermodynamic functions from molecular constants and (2) least-squares fitting of these functions to empirical equations. PAC91 written in FORTRAN 77 to be machine-independent.

  16. Thermodynamical Arguments against Evolution

    ERIC Educational Resources Information Center

    Rosenhouse, Jason

    2017-01-01

    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be…

  17. Single molecules: Thermodynamic limits

    NASA Astrophysics Data System (ADS)

    Liphardt, Jan

    2012-09-01

    Technologies aimed at single-molecule resolution of non-equilibrium systems increasingly require sophisticated new ways of thinking about thermodynamics. An elegant extension to standard fluctuation theory grants access to the kinetic intermediate states of these systems -- as DNA-pulling experiments now demonstrate.

  18. On Teaching Thermodynamics

    ERIC Educational Resources Information Center

    Debbasch, F.

    2011-01-01

    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  19. Thermodynamics of Dilute Solutions.

    ERIC Educational Resources Information Center

    Jancso, Gabor; Fenby, David V.

    1983-01-01

    Discusses principles and definitions related to the thermodynamics of dilute solutions. Topics considered include dilute solution, Gibbs-Duhem equation, reference systems (pure gases and gaseous mixtures, liquid mixtures, dilute solutions), real dilute solutions (focusing on solute and solvent), terminology, standard states, and reference systems.…

  20. Thermodynamically Correct Bioavailability Estimations

    DTIC Science & Technology

    1992-04-30

    6448 I 1. SWPPUMENTA* NOTIS lIa. OISTUAMJTiOAVAILAIILTY STATIMENT 121 OT REbT ostwosCo z I Approved for public release; distribution unlimited... research is to develop thermodynamically correct bioavailability estimations using chromatographic stationary phases as a model of the "interphase

  1. Thermodynamics of Organic Compounds

    DTIC Science & Technology

    1982-11-01

    95085 Washiagton, DC 20234 • . 4- Los Angeles, CA 90045 National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University...Department of Energy Mackay School of Nines Bartlesville Energy Technology Attn: Prof Eugene Miller Center Reno, NV 89507 Attn: Mr William D Good

  2. Separation in Binary Alloys

    NASA Technical Reports Server (NTRS)

    Frazier, D. O.; Facemire, B. R.; Kaukler, W. F.; Witherow, W. K.; Fanning, U.

    1986-01-01

    Studies of monotectic alloys and alloy analogs reviewed. Report surveys research on liquid/liquid and solid/liquid separation in binary monotectic alloys. Emphasizes separation processes in low gravity, such as in outer space or in free fall in drop towers. Advances in methods of controlling separation in experiments highlighted.

  3. Orbits For Sixteen Binaries

    NASA Astrophysics Data System (ADS)

    Cvetkovic, Z.; Novakovic, B.

    2006-12-01

    In this paper orbits for 13 binaries are recalculated and presented. The reason is that recent observations show higher residuals than the corresponding ephemerides calculated by using the orbital elements given in the Sixth Catalog of Orbits of Visual Binary Stars. The binaries studied were: WDS 00182+7257 = A 803, WDS 00335+4006 = HO 3, WDS 00583+2124 = BU 302, WDS 01011+6022 = A 926, WDS 01014+1155 = BU 867, WDS 01112+4113 = A 655, WDS 01361-2954 + HJ 3447, WDS 02333+5219 = STT 42 AB, WDS 04362+0814 = A 1840 AB, WDS 08017-0836 = A 1580, WDS 08277-0425 = A 550, WDS 17471+1742 = STF 2215 and WDS 18025+4414 = BU 1127 Aa-B. In addition, for three binaries - WDS 01532+1526 = BU 260, WDS 02563+7253 =STF 312 AB and WDS 05003+3924 = STT 92 AB - the orbital elements are calculated for the first time. In this paper the authors present not only the orbital elements, but the masses, dynamical parallaxes, absolute magnitudes and ephemerides for the next five years, as well.

  4. Statistics and Thermodynamics of Fe-Cu Alloys at High Temperatures

    NASA Astrophysics Data System (ADS)

    Son, Leonid; Sidorov, Valery; Katkov, Nikolay

    2017-08-01

    Statistics and thermodynamics of binary Fe-Cu system is described in terms of local state representation combined with the account of nonergodic microheterogeneity in terms of frozen fluctuations of chemical potential. It is shown that the microheterogeneity in this system is an equilibrium property up to 1700° C.

  5. Thermodynamic method of calculating the effect of alloying additives on interphase interaction in composite materials

    NASA Technical Reports Server (NTRS)

    Tuchinsky, L. I.

    1986-01-01

    The effect of alloying additives to the matrix of a composite on the high temperature solubility rate of a single component fiber was analyzed thermodynamically. With an example of binary Ni alloys, with Group IV-VI transition metals reinforced with W fibers, agreement between the calculated and experimental data was demonstrated.

  6. Correlated binary regression with covariates specific to each binary observation.

    PubMed

    Prentice, R L

    1988-12-01

    Regression methods are considered for the analysis of correlated binary data when each binary observation may have its own covariates. It is argued that binary response models that condition on some or all binary responses in a given "block" are useful for studying certain types of dependencies, but not for the estimation of marginal response probabilities or pairwise correlations. Fully parametric approaches to these latter problems appear to be unduly complicated except in such special cases as the analysis of paired binary data. Hence, a generalized estimating equation approach is advocated for inference on response probabilities and correlations. Illustrations involving both small and large block sizes are provided.

  7. Excess compressibility in binary liquid mixtures.

    PubMed

    Aliotta, F; Gapiński, J; Pochylski, M; Ponterio, R C; Saija, F; Salvato, G

    2007-06-14

    Brillouin scattering experiments have been carried out on some mixtures of molecular liquids. From the measurement of the hypersonic velocities we have evaluated the adiabatic compressibility as a function of the volume fraction. We show how the quadratic form of the excess compressibility dependence on the solute volume fraction can be derived by simple statistical effects and does not imply any interaction among the components of the system other than excluded volume effects. This idea is supported by the comparison of the experimental results with a well-established prototype model, consisting of a binary mixture of hard spheres with a nonadditive interaction potential. This naive model turns out to be able to produce a very wide spectrum of structural and thermodynamic features depending on values of its parameters. An attempt has made to understand what kind of structural information can be gained through the analysis of the volume fraction dependence of the compressibility.

  8. Homogeneous crystal nucleation in binary metallic melts

    NASA Technical Reports Server (NTRS)

    Thompson, C. V.; Spaepen, F.

    1983-01-01

    A method for calculating the homogeneous crystal nucleation frequency in binary metallic melts is developed. The free energy of crystallization is derived from regular solution models for the liquid and solid and is used, together with model-based estimates of the interfacial tension, to calculate the nucleation frequency from the classical theory. The method can account for the composition dependence of the maximum undercooling observed in a number of experiments on small droplet dispersions. It can also be used to calculate the driving force for crystal growth and to obtain more precise estimates of the homogeneous crystal nucleation frequency in glass-forming alloys. This method, although approximate, is simple to apply, and requires only knowledge of the phase diagram and a few readily available thermodynamic quantities as input data.

  9. Enthalpies of a binary alloy during solidification

    NASA Technical Reports Server (NTRS)

    Poirier, D. R.; Nandapurkar, P.

    1988-01-01

    The purpose of the paper is to present a method of calculating the enthalpy of a dendritic alloy during solidification. The enthalpies of the dendritic solid and interdendritic liquid of alloys of the Pb-Sn system are evaluated, but the method could be applied to other binaries, as well. The enthalpies are consistent with a recent evaluation of the thermodynamics of Pb-Sn alloys and with the redistribution of solute in the same during dendritic solidification. Because of the heat of mixing in Pb-Sn alloys, the interdendritic liquid of hypoeutectic alloys (Pb-rich) of less than 50 wt pct Sn has enthalpies that increase as temperature decreases during solidification.

  10. Astrometric Binaries: White Dwarfs?

    NASA Astrophysics Data System (ADS)

    Oliversen, Nancy A.

    We propose to observe a selection of astrometric or spectroscopicastrometric binaries nearer than about 20 pc with unseen low mass companions. Systems of this type are important for determining the luminosity function of low mass stars (white dwarfs and very late main sequence M stars), and their contribution to the total mass of the galaxy. Systems of this type are also important because the low mass, invisible companions are potential candidates in the search for planets. Our target list is selected primarily from the list of 31 astrometric binaries near the sun by Lippincott (1978, Space Sci. Rev., 22, 153), with additional candidates from recent observations by Kamper. The elimination of stars with previous IUE observations, red companions resolved by infrared speckle interferometry, or primaries later than M1 (because if white dwarf companions are present they should have been detected in the visible region) reduces the list to 5 targets which need further information. IUE SWP low dispersion observations of these targets will show clearly whether the remaining unseen companions are white dwarfs, thus eliminating very cool main sequence stars or planets. This is also important in providing complete statistical information about the nearest stars. The discovery of a white dwarf in such a nearby system would provide important additional information about the masses of white dwarfs. Recent results by Greenstein (1986, A. J., 92, 859) from binary systems containing white dwarfs imply that 80% of such systems are as yet undetected. The preference of binaries for companions of approximately equal mass makes the Lippincott-Kamper list of A through K primaries with unseen companions a good one to use to search for white dwarfs. The mass and light dominance of the current primary over the white dwarf in the visible makes ultraviolet observations essential to obtain an accurate census of white dwarf binaries.

  11. Concentration dependence of the dispersity of dendrite structure in alloys of binary systems

    NASA Astrophysics Data System (ADS)

    Kostyleva, L. V.; Santalova, E. A.; Gabel'chenko, N. I.; Il'inskii, V. A.

    2008-07-01

    The dendrite structure of binary alloys of the Fe-C, Fe-P, Fe-Si, and Fe-Mn systems is studied. The distances between second-order dendrite arms are determined as a function of the concentration of the second component and of the type of the phase diagram. The results obtained are analyzed from the standpoint of thermodynamics.

  12. Massive binaries in R136 using Hubble

    NASA Astrophysics Data System (ADS)

    Caballero-Nieves, Saida; Crowther, Paul; Bostroem, K. Azalee; Maíz Apellániz, Jesus

    2014-09-01

    We have undertaken a complete HST/STIS spectroscopic survey of R136, the young, central dense starburst cluster of the LMC 30 Doradus nebula, which hosts the most massive stars currently known. Our CCD datasets, comprising 17 adjacent 0.2"×52" long slits, were split across Cycles 19 and 20 to allow us to search for spectroscopic binaries. We will present the results of our survey, including a comparison with the massive-star population in the wider 30 Doradus region from the VLT Flames Tarantula survey. We will also describe upcoming HST/FGS observations, which will probe intermediate-separation binaries in R136, and discuss this cluster in the context of unresolved young extragalactic star clusters.

  13. Learning to assign binary weights to binary descriptor

    NASA Astrophysics Data System (ADS)

    Huang, Zhoudi; Wei, Zhenzhong; Zhang, Guangjun

    2016-10-01

    Constructing robust binary local feature descriptors are receiving increasing interest due to their binary nature, which can enable fast processing while requiring significantly less memory than their floating-point competitors. To bridge the performance gap between the binary and floating-point descriptors without increasing the computational cost of computing and matching, optimal binary weights are learning to assign to binary descriptor for considering each bit might contribute differently to the distinctiveness and robustness. Technically, a large-scale regularized optimization method is applied to learn float weights for each bit of the binary descriptor. Furthermore, binary approximation for the float weights is performed by utilizing an efficient alternatively greedy strategy, which can significantly improve the discriminative power while preserve fast matching advantage. Extensive experimental results on two challenging datasets (Brown dataset and Oxford dataset) demonstrate the effectiveness and efficiency of the proposed method.

  14. Thermodynamics of biochemical networks and duality theorems.

    PubMed

    De Martino, Daniele

    2013-05-01

    One interesting yet difficult computational issue has recently been posed in biophysics in regard to the implementation of thermodynamic constraints to complex networks. Biochemical networks of enzymes inside cells are among the most efficient, robust, differentiated, and flexible free-energy transducers in nature. How is the second law of thermodynamics encoded for these complex networks? In this article it is demonstrated that for chemical reaction networks in the steady state the exclusion (presence) of closed reaction cycles makes possible (impossible) the definition of a chemical potential vector. Interestingly, this statement is encoded in one of the key results in combinatorial optimization, i.e., the Gordan theorem of the alternatives. From a computational viewpoint, the theorem reveals that calculating a reaction's free energy and identifying infeasible loops in flux states are dual problems whose solutions are mutually exclusive, and this opens the way for efficient and scalable methods to perform the energy balance analysis of large-scale biochemical networks.

  15. Statistical Mechanics and Thermodynamics of Viral Evolution

    NASA Astrophysics Data System (ADS)

    Jones, Barbara; Kaufman, James

    Using methods drawn from physics we study the life cycle of viruses. We analyze a model of viral infection and evolution using the ``grand canonical ensemble'' and formalisms from statistical mechanics and thermodynamics. Using this approach we determine possible genetic states of a model virus and host as a function of two independent pressures-immune response and system temperature. We show the system has a real thermodynamic temperature, and discover a new phase transition between a positive temperature regime of normal replication and a negative temperature ``disordered'' phase of the virus. We distinguish this from previous observations of a phase transition that arises as a function of mutation rate. From an evolutionary biology point of view, at steady state the viruses naturally evolve to distinct quasispecies. The approach used here could be refined to apply to real biological systems, perhaps providing insight into immune escape, the emergence of novel pathogens and other results of viral evolution.

  16. Prediction of Thermodynamic Properties for Halogenated Hydrocarbon

    NASA Astrophysics Data System (ADS)

    Higashi, Yukihiro

    The predictive methods of thermodynamic properties are discussed with respect to the halogenated hydrocarbons using as working fluids for refrigeration and heat pump cycles. The methods introduced into this paper can be calculated by the limited information; critical properties, normal boiling point and acentric factor. The results of prediction are compared with the experimental values of PVT property, vapor pressure and saturated liquid density. On the basis of these comparisons, Lydersen's method for predicting the critical properties, the generalized vapor pressure correlation by Ashizawa et, al., and Hankinson-Thomson's method for predicting saturated liquid density can be recommended. With respect to the equation of state, either Soave equation or Peng-Robinson equation is effective in calculating the thermodynamic properties except high density region.

  17. Irreversible thermodynamic analysis and application for molecular heat engines

    NASA Astrophysics Data System (ADS)

    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.

  18. NEA rotations and binaries

    NASA Astrophysics Data System (ADS)

    Pravec, Petr; Harris, A. W.; Warner, B. D.

    2007-05-01

    Of nearly 3900 near-Earth asteroids known in June 2006, 325 have got estimated rotation periods. NEAs with sizes down to 10 meters have been sampled. Observed spin distribution shows a major changing point around D=200 m. Larger NEAs show a barrier against spin rates >11 d-1 (period P~2.2 h) that shifts to slower rates with increasing equatorial elongation. The spin barrier is interpreted as a critical spin rate for bodies held together by self-gravitation only, suggesting that NEAs larger than 200 m are mostly strenghtless bodies (i.e., with zero tensile strength), so called `rubble piles'. The barrier disappears at D<200 m where most objects rotate too fast to be held together by self-gravitation only, so a non-zero cohesion is implied in the smaller NEAs. The distribution of NEA spin rates in the `rubble pile' range (D>0.2 km) is non-Maxwellian, suggesting that other mechanisms than just collisions worked there. There is a pile up in front of the barrier (P of 2-3 h). It may be related to a spin up mechanism crowding asteroids to the barrier. An excess of slow rotators is seen at P>30 h. The spin-down mechanism has no clear lower limit on spin rate; periods as long as tens of days occur. Most NEAs appear to be in basic spin states with rotation around the principal axis. Excited rotations are present among and actually dominate in slow rotators with damping timescales >4.5 byr. A few tumblers observed among fast rotating coherent objects consistently appear to be more rigid or younger than the larger, rubble-pile tumblers. An abundant population of binary systems among NEAs has been found. The fraction of binaries among NEAs larger than 0.3 km has been estimated to be 15 +/-4%. Primaries of the binary systems concentrate at fast spin rates (periods 2-3 h) and low amplitudes, i.e., they lie just below the spin barrier. The total angular momentum content in the binary systems suggests that they formed at the critical spin rate, and that little or no angular

  19. Thermodynamic and solidification modeling coupled with experimental investigation of the multicomponent aluminum alloys

    NASA Astrophysics Data System (ADS)

    Yan, Xinyan

    2001-07-01

    In order to obtain a thermodynamic description for the Al-Cu-Mg-Si quaternary system, three constituent binary systems, Al-Si, Cu-Si and Mg-Si, are first modeled based on the available experimental data, and the thermodynamic models used to describe the phases in the binary systems are presented. The calculated binary phase diagrams and the thermodynamic properties are in good agreement with the experimental data. Three constituent ternary systems, Al-Cu-Si, Al-Mg-Si and Cu-Mg-Si, are then modeled based on experimental data available in the literature. A thermodynamic description of the Al-Cu-Mg-Si system has been developed based on the established descriptions of its constituent binaries and ternaries as well as using data relating to the quaternary intermetallic compound Q-Al5Cu2Mg8Si6. The calculated quaternary phase diagrams, including invariant equilibria, isopleths and isotherms are in accord with the experimental data available in the literature. The phase equilibria and thermodynamic properties of the Al-Cu-Mg-Si system can now be calculated from this thermodynamic description at any temperature and composition. A numerical microscopic model has been developed in the present study for the prediction of the microstructure and microsegregation in multicomponent alloys during dendritic solidification. This microscopic model is directly coupled with multicomponent phase diagram calculations using a user-friendly and robust phase diagram calculation engine-PANENGINE. Solid back diffusion, thermodynamic correction of the interface concentrations, undercooling and dendrite arm coarsening effects are included in this model. The experimentally measured or calculated cooling curves are input into the model to carry out the microsegregation calculations. To validate the microscopic model and the Al-Cu-Mg-Si thermodynamic description, microstructures and microsegregations in a Al-4.5wt%Cu binary alloy, as well as Al-4.5wt%Cu-1wt%Si-0.5wt%Mg and Al-6.27wt%Cu-0.22wt%Si-0

  20. Contact symmetries and Hamiltonian thermodynamics

    SciTech Connect

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

    2015-10-15

    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.

  1. Interactions in Massive Colliding Wind Binaries

    NASA Technical Reports Server (NTRS)

    Corcoran, M.

    2012-01-01

    The most massive stars (M> 60 Solar Mass) play crucial roles in altering the chemical and thermodynamic properties of their host galaxies. Stellar mass is the fundamental stellar parameter that determines their ancillary properties and which ultimately determines the fate of these stars and their influence on their galactic environs. Unfortunately, stellar mass becomes observationally and theoretically less well constrained as it increases. Theory becomes uncertain mostly because very massive stars are prone to strong, variable mass loss which is difficult to model. Observational constraints are uncertain too. Massive stars are rare, and massive binary stars (needed for dynamical determination of mass) are rarer still: and of these systems only a fraction have suitably high orbital inclinations for direct photometric and spectroscopic radial-velocity analysis. Even in the small number of cases in which a high-inclination binary near the upper mass limit can be identified, rotational broadening and contamination of spectral line features from thick circumstellar material (either natal clouds or produced by strong stellar wind driven mass loss from one or both of he stellar components) biases the analysis. In the wilds of the upper HR diagram, we're often left with indirect and circumstantial means of determining mass, a rather unsatisfactory state of affairs.

  2. Structure Defect Property Relationships in Binary Intermetallics

    NASA Astrophysics Data System (ADS)

    Medasani, Bharat; Ding, Hong; Chen, Wei; Persson, Kristin; Canning, Andrew; Haranczyk, Maciej; Asta, Mark

    2015-03-01

    Ordered intermetallics are light weight materials with technologically useful high temperature properties such as creep resistance. Knowledge of constitutional and thermal defects is required to understand these properties. Vacancies and antisites are the dominant defects in the intermetallics and their concentrations and formation enthalpies could be computed by using first principles density functional theory and thermodynamic formalisms such as dilute solution method. Previously many properties of the intermetallics such as melting temperatures and formation enthalpies were statistically analyzed for large number of intermetallics using structure maps and data mining approaches. We undertook a similar exercise to establish the dependence of the defect properties in binary intermetallics on the underlying structural and chemical composition. For more than 200 binary intermetallics comprising of AB, AB2 and AB3 structures, we computed the concentrations and formation enthalpies of vacancies and antisites in a small range of stoichiometries deviating from ideal stoichiometry. The calculated defect properties were datamined to gain predictive capabilities of defect properties as well as to classify the intermetallics for their suitability in high-T applications. Supported by the US DOE under Contract No. DEAC02-05CH11231 under the Materials Project Center grant (Award No. EDCBEE).

  3. Canonical fluid thermodynamics

    NASA Technical Reports Server (NTRS)

    Schmid, L. A.

    1972-01-01

    The space-time integral of the thermodynamic pressure plays the role of the thermodynamic potential for compressible, adiabatic flow in the sense that the pressure integral for stable flow is less than for all slightly different flows. This stability criterion can be converted into a variational minimum principle by requiring the molar free-enthalpy and the temperature, which are the arguments of the pressure function, to be generalized velocities, that is, the proper-time derivatives of scalar spare-time functions which are generalized coordinates in the canonical formalism. In a fluid context, proper-time differentiation must be expressed in terms of three independent quantities that specify the fluid velocity. This can be done in several ways, all of which lead to different variants (canonical transformations) of the same constraint-free action integral whose Euler-Lagrange equations are just the well-known equations of motion for adiabatic compressible flow.

  4. Statistical Thermodynamics of Biomembranes

    PubMed Central

    Devireddy, Ram V.

    2010-01-01

    An overview of the major issues involved in the statistical thermodynamic treatment of phospholipid membranes at the atomistic level is summarized: thermodynamic ensembles, initial configuration (or the physical system being modeled), force field representation as well as the representation of long-range interactions. This is followed by a description of the various ways that the simulated ensembles can be analyzed: area of the lipid, mass density profiles, radial distribution functions (RDFs), water orientation profile, Deuteurium order parameter, free energy profiles and void (pore) formation; with particular focus on the results obtained from our recent molecular dynamic (MD) simulations of phospholipids interacting with dimethylsulfoxide (Me2SO), a commonly used cryoprotective agent (CPA). PMID:19460363

  5. Thermodynamics of nuclear transport

    NASA Astrophysics Data System (ADS)

    Wang, Ching-Hao; Mehta, Pankaj; Elbaum, Michael

    Molecular transport across the nuclear envelope is important for eukaryotes for gene expression and signaling. Experimental studies have revealed that nuclear transport is inherently a nonequilibrium process and actively consumes energy. In this work we present a thermodynamics theory of nuclear transport for a major class of nuclear transporters that are mediated by the small GTPase Ran. We identify the molecular elements responsible for powering nuclear transport, which we term the ``Ran battery'' and find that the efficiency of transport, measured by the cargo nuclear localization ratio, is limited by competition between cargo molecules and RanGTP to bind transport receptors, as well as the amount of NTF2 (i.e. RanGDP carrier) available to circulate the energy flow. This picture complements our current understanding of nuclear transport by providing a comprehensive thermodynamics framework to decipher the underlying biochemical machinery. Pm and CHW were supported by a Simons Investigator in the Mathematical Modeling in Living Systems grant (to PM).

  6. Identifying functional thermodynamics in autonomous Maxwellian ratchets

    NASA Astrophysics Data System (ADS)

    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.

  7. New distributions in thermodynamics

    NASA Astrophysics Data System (ADS)

    Maslov, V. P.

    2016-09-01

    A model of the equation of state for classical gases consisting of nonpolar molecules is constructed under the assumption that the spinodal, critical isochore, and second virial coefficients of the gas have been set. The corresponding thermodynamic distributions are determined. It is shown that the isotherms constructed in the framework of the proposed model coincide with the isotherms of the van der Waals model obtained on a different basis.

  8. Black Hole Thermodynamics

    NASA Astrophysics Data System (ADS)

    Israel, Werner

    This chapter reviews the conceptual developments on black hole thermodynamics and the attempts to determine the origin of black hole entropy in terms of their horizon area. The brick wall model and an operational approach are discussed. An attempt to understand at the microlevel how the quantum black hole acquires its thermal properties is included. The chapter concludes with some remarks on the extension of these techniques to describing the dynamical process of black hole evaporation.

  9. Thermodynamics of Organic Compounds

    DTIC Science & Technology

    1979-01-01

    General Techniques for Combustion of Liquid/Soli. Organic Compounds by Oxygen Bomb Calorimetry by Arthur J. Head, William D. Good, and Ccrnelius...Mosselman, Chap. 8; Combustion of Liquid/Solid Organic Compounds with Non-Metallic Hetero-Atoms by Arthur J. Head and William D. Good, Chap. 9; in...0 Box 95085 Washington, DC 20234 Los Angeles, CA 90045 National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University

  10. Microfluidic binary phase flow

    NASA Astrophysics Data System (ADS)

    Angelescu, Dan; Menetrier, Laure; Wong, Joyce; Tabeling, Patrick; Salamitou, Philippe

    2004-03-01

    We present a novel binary phase flow regime where the two phases differ substantially in both their wetting and viscous properties. Optical tracking particles are used in order to investigate the details of such multiphase flow inside capillary channels. We also describe microfluidic filters we have developed, capable of separating the two phases based on capillary pressure. The performance of the filters in separating oil-water emulsions is discussed. Binary phase flow has been previously used in microchannels in applications such as emulsion generation, enhancement of mixing and assembly of custom colloidal paticles. Such microfluidic systems are increasingly used in a number of applications spanning a diverse range of industries, such as biotech, pharmaceuticals and more recently the oil industry.

  11. Binary Love relations

    NASA Astrophysics Data System (ADS)

    Yagi, Kent; Yunes, Nicolás

    2016-07-01

    When in a tight binary, the mutual tidal deformations of neutron stars get imprinted onto observables, encoding information about their internal structure at supranuclear densities and gravity in the extreme-gravity regime. Gravitational wave (GW) observations of their late binary inspiral may serve as a tool to extract the individual tidal deformabilities, but this is made difficult by degeneracies between them in the GW model. We here resolve this problem by discovering approximately equation-of-state (EoS)-insensitive relations between dimensionless combinations of the individual tidal deformabilities. We show that these relations break degeneracies in the GW model, allowing for the accurate extraction of both deformabilities. Such measurements can be used to better differentiate between EoS models, and improve tests of general relativity and cosmology.

  12. Formation and Evolution of X-ray Binaries

    NASA Astrophysics Data System (ADS)

    Fragkos, Anastasios

    X-ray binaries - mass-transferring binary stellar systems with compact object accretors - are unique astrophysical laboratories. They carry information about many complex physical processes such as star formation, compact object formation, and evolution of interacting binaries. My thesis work involves the study of the formation and evolution of Galactic and extra-galacticX-ray binaries using both detailed and realistic simulation tools, and population synthesis techniques. I applied an innovative analysis method that allows the reconstruction of the full evolutionary history of known black hole X-ray binaries back to the time of compact object formation. This analysis takes into account all the available observationally determined properties of a system, and models in detail four of its evolutionary evolutionary phases: mass transfer through the ongoing X-ray phase, tidal evolution before the onset of Roche-lobe overflow, motion through the Galactic potential after the formation of the black hole, and binary orbital dynamics at the time of core collapse. Motivated by deep extra-galactic Chandra survey observations, I worked on population synthesis models of low-mass X-ray binaries in the two elliptical galaxies NGC3379 and NGC4278. These simulations were targeted at understanding the origin of the shape and normalization of the observed X-ray luminosity functions. In a follow up study, I proposed a physically motivated prescription for the modeling of transient neutron star low-mass X-ray binary properties, such as duty cycle, outburst duration and recurrence time. This prescription enabled the direct comparison of transient low-mass X-ray binary population synthesis models to the Chandra X-ray survey of the two ellipticals NGC3379 and NGC4278. Finally, I worked on population synthesismodels of black holeX-ray binaries in the MilkyWay. This work was motivated by recent developments in observational techniques for the measurement of black hole spin magnitudes in

  13. Thermodiffusion in binary and ternary nonpolar hydrocarbon + alcohol mixtures

    NASA Astrophysics Data System (ADS)

    Eslamian, Morteza; Saghir, M. Ziad

    2012-12-01

    Thermodiffusion in complex mixtures, such as associating, molten metal, and polymer mixtures is difficult to model usually owing to the occurrence of a sign change in the thermodiffusion coefficient when the mixture concentration and temperature change. A mixture comprised of a nonpolar hydrocarbon and an alcohol is a complex and highly non-ideal mixture. In this paper an existing binary non-equilibrium thermodynamics model (Eslamian and Saghir, Physical Review E 80, 061201, 2009) developed for aqueous mixtures of alcohols is examined against the experimental data of binary nonpolar hydrocarbon and alcohol mixtures. For ternary mixtures, non-equilibrium thermodynamic expressions developed by the authors for aqueous mixtures of alcohols (Eslamian and Saghir, Canadian Journal of Chemical Engineering, DOI 10.1002/cjce.20581) is used to predict thermodiffusion coefficients of ternary nonpolar hydrocarbon and alcohol mixtures. The rationale behind the sign change is elucidated and attributed to an anomalous change in the molecular structure and therefore viscosity of such mixtures. Model predictions of thermodiffusion coefficients of binary mixtures predict a sign change consistent with the experimental data although the model is still too primitive to capture all structural complexities. For instance, in the methanol-benzene mixture where the model predictions are poorest, the viscosity data show that when concentration varies, the mixture's molecular structure experiences a severe change twice, the first major change leading to a maximum in the thermodiffusion coefficient, whereas the second change causes a sign change.

  14. The discovery of thermodynamics

    NASA Astrophysics Data System (ADS)

    Weinberger, Peter

    2013-07-01

    Based on the idea that a scientific journal is also an "agora" (Greek: market place) for the exchange of ideas and scientific concepts, the history of thermodynamics between 1800 and 1910 as documented in the Philosophical Magazine Archives is uncovered. Famous scientists such as Joule, Thomson (Lord Kelvin), Clausius, Maxwell or Boltzmann shared this forum. Not always in the most friendly manner. It is interesting to find out, how difficult it was to describe in a scientific (mathematical) language a phenomenon like "heat", to see, how long it took to arrive at one of the fundamental principles in physics: entropy. Scientific progress started from the simple rule of Boyle and Mariotte dating from the late eighteenth century and arrived in the twentieth century with the concept of probabilities. Thermodynamics was the driving intellectual force behind the industrial revolution, behind the enormous social changes caused by this revolution. The history of thermodynamics is a fascinating story, which also gives insights into the mechanism that seem to govern science.

  15. Thermodynamical Arguments Against Evolution

    NASA Astrophysics Data System (ADS)

    Rosenhouse, Jason

    2017-03-01

    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be impossible. Scientists have responded primarily by noting that the second law does not rule out increases in complexity in open systems, and since the Earth receives energy from the Sun, it is an open system. This reply is correct as far as it goes, and it adequately rebuts the most crude versions of the second law argument. However, it is insufficient against more sophisticated versions, and it leaves many relevant aspects of thermodynamics unexplained. We shall consider the history of the argument, explain the nuances various anti-evolution writers have brought to it, and offer thorough explanations for why the argument is fallacious. We shall emphasize in particular that the second law is best viewed as a mathematical statement. Since anti-evolutionists never make use of the mathematical structure of thermodynamics, invocations of the second law never contribute anything substantive to their discourse.

  16. Thermodynamics of barnase unfolding.

    PubMed

    Griko, Y V; Makhatadze, G I; Privalov, P L; Hartley, R W

    1994-04-01

    The thermodynamics of barnase denaturation has been studied calorimetrically over a broad range of temperature and pH. It is shown that in acidic solutions the heat denaturation of barnase is well approximated by a 2-state transition. The heat denaturation of barnase proceeds with a significant increase of heat capacity, which determines the temperature dependencies of the enthalpy and entropy of its denaturation. The partial specific heat capacity of denatured barnase is very close to that expected for the completely unfolded protein. The specific denaturation enthalpy value extrapolated to 130 degrees C is also close to the value expected for the full unfolding. Therefore, the calorimetrically determined thermodynamic characteristics of barnase denaturation can be considered as characteristics of its complete unfolding and can be correlated with structural features--the number of hydrogen bonds, extent of van der Waals contacts, and the surface areas of polar and nonpolar groups. Using this information and thermodynamic information on transfer of protein groups into water, the contribution of various factors to the stabilization of the native structure of barnase has been estimated. The main contributors to the stabilization of the native state of barnase appear to be intramolecular hydrogen bonds. The contributions of van der Waals interactions between nonpolar groups and those of hydration effects of these groups are not as large if considered separately, but the combination of these 2 factors, known as hydrophobic interactions, is of the same order of magnitude as the contribution of hydrogen bonding.

  17. Thermodynamical Arguments Against Evolution

    NASA Astrophysics Data System (ADS)

    Rosenhouse, Jason

    2017-02-01

    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be impossible. Scientists have responded primarily by noting that the second law does not rule out increases in complexity in open systems, and since the Earth receives energy from the Sun, it is an open system. This reply is correct as far as it goes, and it adequately rebuts the most crude versions of the second law argument. However, it is insufficient against more sophisticated versions, and it leaves many relevant aspects of thermodynamics unexplained. We shall consider the history of the argument, explain the nuances various anti-evolution writers have brought to it, and offer thorough explanations for why the argument is fallacious. We shall emphasize in particular that the second law is best viewed as a mathematical statement. Since anti-evolutionists never make use of the mathematical structure of thermodynamics, invocations of the second law never contribute anything substantive to their discourse.

  18. Nonequilibrium thermodynamics of nucleation

    SciTech Connect

    Schweizer, M.; Sagis, L. M. C.

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  19. Nonequilibrium thermodynamics of nucleation.

    PubMed

    Schweizer, M; Sagis, L M C

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  20. Nonequilibrium thermodynamics of nucleation

    NASA Astrophysics Data System (ADS)

    Schweizer, M.; Sagis, L. M. C.

    2014-12-01

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  1. Parametric binary dissection

    NASA Technical Reports Server (NTRS)

    Bokhari, Shahid H.; Crockett, Thomas W.; Nicol, David M.

    1993-01-01

    Binary dissection is widely used to partition non-uniform domains over parallel computers. This algorithm does not consider the perimeter, surface area, or aspect ratio of the regions being generated and can yield decompositions that have poor communication to computation ratio. Parametric Binary Dissection (PBD) is a new algorithm in which each cut is chosen to minimize load + lambda x(shape). In a 2 (or 3) dimensional problem, load is the amount of computation to be performed in a subregion and shape could refer to the perimeter (respectively surface) of that subregion. Shape is a measure of communication overhead and the parameter permits us to trade off load imbalance against communication overhead. When A is zero, the algorithm reduces to plain binary dissection. This algorithm can be used to partition graphs embedded in 2 or 3-d. Load is the number of nodes in a subregion, shape the number of edges that leave that subregion, and lambda the ratio of time to communicate over an edge to the time to compute at a node. An algorithm is presented that finds the depth d parametric dissection of an embedded graph with n vertices and e edges in O(max(n log n, de)) time, which is an improvement over the O(dn log n) time of plain binary dissection. Parallel versions of this algorithm are also presented; the best of these requires O((n/p) log(sup 3)p) time on a p processor hypercube, assuming graphs of bounded degree. How PBD is applied to 3-d unstructured meshes and yields partitions that are better than those obtained by plain dissection is described. Its application to the color image quantization problem is also discussed, in which samples in a high-resolution color space are mapped onto a lower resolution space in a way that minimizes the color error.

  2. Binary Optics Toolkit

    SciTech Connect

    Neal, Daniel

    1996-04-02

    This software is a set of tools for the design and analysis of binary optics. It consists of a series of stand-alone programs written in C and some scripts written in an application-specific language interpreted by a CAD program called DW2000. This software can be used to optimize the design and placement of a complex lens array from input to output and produce contours, mask designs, and data exported for diffractive optic analysis.

  3. Processing Of Binary Images

    NASA Astrophysics Data System (ADS)

    Hou, H. S.

    1985-07-01

    An overview of the recent progress in the area of digital processing of binary images in the context of document processing is presented here. The topics covered include input scan, adaptive thresholding, halftoning, scaling and resolution conversion, data compression, character recognition, electronic mail, digital typography, and output scan. Emphasis has been placed on illustrating the basic principles rather than descriptions of a particular system. Recent technology advances and research in this field are also mentioned.

  4. Double Eclipsing Binary Fitting

    NASA Astrophysics Data System (ADS)

    Cagas, P.; Pejcha, O.

    2012-06-01

    The parameters of the mutual orbit of eclipsing binaries that are physically connected can be obtained by precision timing of minima over time through light travel time effect, apsidal motion or orbital precession. This, however, requires joint analysis of data from different sources obtained through various techniques and with insufficiently quantified uncertainties. In particular, photometric uncertainties are often underestimated, which yields too small uncertainties in minima timings if determined through analysis of a χ2 surface. The task is even more difficult for double eclipsing binaries, especially those with periods close to a resonance such as CzeV344, where minima get often blended with each other. This code solves the double binary parameters simultaneously and then uses these parameters to determine minima timings (or more specifically O-C values) for individual datasets. In both cases, the uncertainties (or more precisely confidence intervals) are determined through bootstrap resampling of the original data. This procedure to a large extent alleviates the common problem with underestimated photometric uncertainties and provides a check on possible degeneracies in the parameters and the stability of the results. While there are shortcomings to this method as well when compared to Markov Chain Monte Carlo methods, the ease of the implementation of bootstrapping is a significant advantage.

  5. Two Quantum Polytropic Cycles

    NASA Astrophysics Data System (ADS)

    Arias-Hernández, L. A.; Morales-Serrano, A. F.

    2002-11-01

    In this work we follow the Bender et al paper [1] to study the quantum analogues of the Stirling and Ericsson polytropic cycles. In the context of the classical thermodynamics, the Stirling and Ericsson cycles correspond to reversible heat engines with two isothermal processes joined by two polytropic branches which occur in a device called regenerator. If this device is an ideal one, the efficiency of these cycles is the Carnot efficiency. Here, we introduce the quantum analogues of the Stirling and Ericsson cycles, the first one based on a double square potential well with a finite potential barrier, since in this system the tunnel effect could be the analogue to the regeneration classical process, therefore the isochoric quantum branches would really correspond to an internal energy storage, and the last one with an unknown system where the isobaric quantum processes don't induce changes in its quantum state. With these systems the quantum engines have cycles consisting of polytropic and isothermal quantum processes analogues to the corresponding classical processes. We show that in both cases the quantum cycles have an efficiency given by ηCQM = 1 - EC/EH, which is the same expression for the quantum analogue of the Carnot cycle studied by Bender.

  6. Small quantum networks operating as quantum thermodynamic machines

    NASA Astrophysics Data System (ADS)

    Henrich, M. J.; Michel, M.; Mahler, G.

    2006-12-01

    We show that a 3-qubit system as studied for quantum information purposes can alternatively be used as a thermodynamic machine when externally driven in finite time and interfaced between two split baths. The spins are arranged in a chain where the working spin in the middle exercises Carnot cycles the area of which defines the exchanged work. The cycle orientation (sign of the exchanged work) flips as the difference of bath temperatures goes through a critical value.

  7. The Stirling cycle and cryogenic refrigerators

    SciTech Connect

    Louie, B.; Radebaugh, R.

    1984-08-01

    This paper reviews the principles and techniques used in cryogenic refrigeration, with particular emphasis on small cryocoolers. Several thermodynamic cycles used in cryocoolers are discussed, as are the design requirements, applications, and current areas of research. The important features of the Stirling cycle used as a prime mover or refrigerator are compared.

  8. Teaching Thermodynamics with Physlets[R] in Introductory Physics

    ERIC Educational Resources Information Center

    Cox, Anne J.; Belloni, Mario; Dancy, Melissa; Christian, Wolfgang

    2003-01-01

    This paper describes the use of interactive, Physlet[R]-based curricular material designed to help students learn concepts of thermodynamics with a particular focus on the use of kinetic theory models. These exercises help students visualize ideal gas particle dynamics and engine cycles, make concrete connections between mechanics and…

  9. Teaching Thermodynamics with Physlets[R] in Introductory Physics

    ERIC Educational Resources Information Center

    Cox, Anne J.; Belloni, Mario; Dancy, Melissa; Christian, Wolfgang

    2003-01-01

    This paper describes the use of interactive, Physlet[R]-based curricular material designed to help students learn concepts of thermodynamics with a particular focus on the use of kinetic theory models. These exercises help students visualize ideal gas particle dynamics and engine cycles, make concrete connections between mechanics and…

  10. Binary-Signal Recovery

    NASA Technical Reports Server (NTRS)

    Griebeler, Elmer L.

    2011-01-01

    Binary communication through long cables, opto-isolators, isolating transformers, or repeaters can become distorted in characteristic ways. The usual solution is to slow the communication rate, change to a different method, or improve the communication media. It would help if the characteristic distortions could be accommodated at the receiving end to ease the communication problem. The distortions come from loss of the high-frequency content, which adds slopes to the transitions from ones to zeroes and zeroes to ones. This weakens the definition of the ones and zeroes in the time domain. The other major distortion is the reduction of low frequency, which causes the voltage that defines the ones or zeroes to drift out of recognizable range. This development describes a method for recovering a binary data stream from a signal that has been subjected to a loss of both higher-frequency content and low-frequency content that is essential to define the difference between ones and zeroes. The method makes use of the frequency structure of the waveform created by the data stream, and then enhances the characteristics related to the data to reconstruct the binary switching pattern. A major issue is simplicity. The approach taken here is to take the first derivative of the signal and then feed it to a hysteresis switch. This is equivalent in practice to using a non-resonant band pass filter feeding a Schmitt trigger. Obviously, the derivative signal needs to be offset to halfway between the thresholds of the hysteresis switch, and amplified so that the derivatives reliably exceed the thresholds. A transition from a zero to a one is the most substantial, fastest plus movement of voltage, and therefore will create the largest plus first derivative pulse. Since the quiet state of the derivative is sitting between the hysteresis thresholds, the plus pulse exceeds the plus threshold, switching the hysteresis switch plus, which re-establishes the data zero to one transition

  11. Onsager coefficients of a Brownian Carnot cycle

    NASA Astrophysics Data System (ADS)

    Izumida, Y.; Okuda, K.

    2010-10-01

    We study a Brownian Carnot cycle introduced by Schmiedl and Seifert [Europhys. Lett. 81, 20003 (2008)] from a viewpoint of the linear irreversible thermodynamics. By considering the entropy production rate of this cycle, we can determine thermodynamic forces and fluxes of the cycle and calculate the Onsager coefficients for general protocols, that is, arbitrary schedules to change the potential confining the Brownian particle. We show that these Onsager coefficients contain the information of the protocol shape and they satisfy the tight-coupling condition irrespective of whatever protocol shape we choose. These properties may give an explanation why the Curzon-Ahlborn efficiency often appears in the finite-time heat engines.

  12. Binary Nucleation of Water and Sodium Chloride

    SciTech Connect

    Nemec, Thomas; Marsik, Frantisek; Palmer, Donald

    2005-01-01

    Nucleation processes in the binary water-sodium chloride system are investigated in the sense of the classical nucleation theory (CNT). The CNT is modified to be able to handle the electrolytic nature of the system and is employed to investigate the acceleration of the nucleation process due to the presence of sodium chloride in the steam. This phenomenon, frequently observed in the Wilson zone of steam turbines, is called early condensation. Therefore, the nucleation rates of the water-sodium chloride mixture are of key importance in the power cycle industry.

  13. Thermodynamic properties of a geothermal working fluid; 90% isobutane-10% isopentane: Final report

    SciTech Connect

    Gallagher, J.S.; Linsky, D.; Morrison, G.; Levelt Sengers, J.M.H.

    1987-04-01

    We present tables of thermodynamic properties, and dew and bubble properties, of a mixture of 90 mol % isobutane and 10 mol % isopentane, a working fluid in a binary geothermal power cycle. The tables are generated by a formulation of the Helmholtz free energy, in which the mixture properties are mapped onto the known properties of pure isobutane by means of the principle of generalized corresponding states. The data base for the Helmholtz free energy formulation is new. We report data obtained in three different apparatus: critical-line and isopentane vapor pressure data obtained in a visual cell; vapor-liquid equilibria data obtained in a mercury-operated variable-volume cell; and pressure-volume-temperature data for the 90 mol %-10 mol % mixture obtained in a semi-automated Burnett-isochoric apparatus. The principles of the methods, and estimates of the reliability, are discussed and all experimental data are compared with the surface. The results are tables of specific volume, enthalpy, entropy, specific heat and density and temperature derivatives of the pressure at 10 K temperature increments from 240 to 600 K along isobars from 0.01 to 20 MPa. Separate tables are prepared from the dew and bubble properties of the 90-10 mixture. Estimates of the effects of isomeric impurity of isobutane are given in graphical form.

  14. Thermodynamics of Climate Change: Generalized Sensitivities

    NASA Astrophysics Data System (ADS)

    Lucarini, Valerio; Fraedrich, Klaus; Lunkeit, Frank

    2010-05-01

    Using a recent theoretical approach, we study how the impact of global warming of the thermodynamics of the climate system by performing experiments with a simplified yet Earth-like climate model. In addition to the globally averaged surface temperature, the intensity of the Lorenz energy cycle, the Carnot efficiency, the entropy production and the degree of irreversibility of the system are linear with the logarithm of the CO2 concentration. These generalized sensitivities suggest that the climate becomes less efficient, more irreversible, and features higher entropy production as it becomes warmer.

  15. Thermodynamics of climate change: generalized sensitivities

    NASA Astrophysics Data System (ADS)

    Lucarini, V.; Fraedrich, K.; Lunkeit, F.

    2010-02-01

    Using a recent theoretical approach, we study how the impact of global warming of the thermodynamics of the climate system by performing experiments with a simplified yet Earth-like climate model. In addition to the globally averaged surface temperature, the intensity of the Lorenz energy cycle, the Carnot efficiency, the material entropy production and the degree of irreversibility of the system are linear with the logarithm of the CO2 concentration. These generalized sensitivities suggest that the climate becomes less efficient, more irreversible, and features higher entropy production as it becomes warmer.

  16. Nanophase coexistence and sieving in binary mixtures confined between corrugated walls

    SciTech Connect

    Curry, J.E.; Cushman, J.H.

    1995-08-08

    The grand canonical Monte Carlo method is used to study a binary mixture of Lennard-Jones atoms confined to a corrugated slit micropore which is in thermodynamic equilibrium with its bulk phase counterpart. The micropore has atomically structured walls; one of the which possesses nanoscale structure in the form of rectilinear grooves (corrugation). The grooved surface divides the confined fluid film into two strip shaped regions, that inside and that outside the grooves. Transverse solidlike order in the film gives rise to shear stress. Transverse order coupled with packing restrictions give rise to a difference between the pore and bulk fluid mixture compositions. Solidlike order may appear within the grooves only, outside the grooves only, or in both regions simultaneously. As the relative alignment of the walls is shifted the pore fluid undergoes freeze--thaw cycles in one or both regions with associated changes in the shear stress and pore fluid composition. The degree of transverse order in the film is less than would be expected in a pure Lennard-Jones film and fluid-solid phase transitions are gradual as opposed to sudden as seen in pure Lennard-Jones films. The magnitude of the shear stress is greatest when a fluid--solid phase transition occurs in both regions of the pore. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.

  17. Visual binary stars: data to investigate formation of binaries

    NASA Astrophysics Data System (ADS)

    Kovaleva,, D.; Malkov,, O.; Yungelson, L.; Chulkov, D.

    Statistics of orbital parameters of binary stars as well as statistics of their physical characteristics bear traces of star formation history. However, statistical investigations of binaries are complicated by incomplete or missing observational data and by a number of observational selection effects. Visual binaries are the most common type of observed binary stars, with the number of pairs exceeding 130 000. The most complete list of presently known visual binary stars was compiled by cross-matching objects and combining data of the three largest catalogues of visual binaries. This list was supplemented by the data on parallaxes, multicolor photometry, and spectral characteristics taken from other catalogues. This allowed us to compensate partly for the lack of observational data for these objects. The combined data allowed us to check the validity of observational values and to investigate statistics of the orbital and physical parameters of visual binaries. Corrections for incompleteness of observational data are discussed. The datasets obtained, together with modern distributions of binary parameters, will be used to reconstruct the initial distributions and parameters of the function of star formation for binary systems.

  18. Binary module test. Final report

    SciTech Connect

    Schilling, J.R.; Colley, T.C.; Pundyk, J.

    1980-12-01

    The objective of this project was to design and test a binary loop module representative of and scaleable to commercial size units. The design was based on state-of-the-art heat exchanger technology, and the purpose of the tests was to confirm performance of a supercritical boiling cycle using isobutane and a mixture of isobutane and isopentane as the secondary working fluid. The module was designed as one percent of a 50 MW unit. It was installed at Magma Power's East Mesa geothermal field and tested over a period of approximately 4 months. Most of the test runs were with isobutane but some data were collected for hydrocarbon mixtures. The results of the field tests are reported. In general these results indicate reasonably good heat balances and agreement with overall heat transfer coefficients calculated by current stream analysis methods and available fluid property data; however, measured pressure drops across the heat exchangers were 20 percent higher than estimated. System operation was stable under all conditions tested.

  19. Binary optics: Trends and limitations

    NASA Astrophysics Data System (ADS)

    Farn, Michael W.; Veldkamp, Wilfrid B.

    1993-08-01

    We describe the current state of binary optics, addressing both the technology and the industry (i.e., marketplace). With respect to the technology, the two dominant aspects are optical design methods and fabrication capabilities, with the optical design problem being limited by human innovation in the search for new applications and the fabrication issue being limited by the availability of resources required to improve fabrication capabilities. With respect to the industry, the current marketplace does not favor binary optics as a separate product line and so we expect that companies whose primary purpose is the production of binary optics will not represent the bulk of binary optics production. Rather, binary optics' more natural role is as an enabling technology - a technology which will directly result in a competitive advantage in a company's other business areas - and so we expect that the majority of binary optics will be produced for internal use.

  20. Binary optics: Trends and limitations

    NASA Technical Reports Server (NTRS)

    Farn, Michael W.; Veldkamp, Wilfrid B.

    1993-01-01

    We describe the current state of binary optics, addressing both the technology and the industry (i.e., marketplace). With respect to the technology, the two dominant aspects are optical design methods and fabrication capabilities, with the optical design problem being limited by human innovation in the search for new applications and the fabrication issue being limited by the availability of resources required to improve fabrication capabilities. With respect to the industry, the current marketplace does not favor binary optics as a separate product line and so we expect that companies whose primary purpose is the production of binary optics will not represent the bulk of binary optics production. Rather, binary optics' more natural role is as an enabling technology - a technology which will directly result in a competitive advantage in a company's other business areas - and so we expect that the majority of binary optics will be produced for internal use.

  1. Thermodynamics of adaptive molecular resolution

    NASA Astrophysics Data System (ADS)

    Delgado-Buscalioni, R.

    2016-11-01

    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 variables. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

  2. Thermodynamics of adaptive molecular resolution.

    PubMed

    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).

  3. RNA Thermodynamic Structural Entropy

    PubMed Central

    Garcia-Martin, Juan Antonio; Clote, Peter

    2015-01-01

    Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner’99 and Turner’04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http

  4. RNA Thermodynamic Structural Entropy.

    PubMed

    Garcia-Martin, Juan Antonio; Clote, Peter

    2015-01-01

    Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http

  5. Radio emission from binary stars

    NASA Technical Reports Server (NTRS)

    Dulk, G. A.

    1986-01-01

    This paper reviews the radio emission from binary star systems - the emission processes that occur, the characteristics of the binary systems inferred from the radio observations, and the reasons for the activity. Several classes of binary stars are described including those with two main sequence stars, those with one normal star and a white dwarf, and those containing a neutron star or a black hole.

  6. On thermodynamic and microscopic reversibility

    SciTech Connect

    Crooks, Gavin E.

    2011-07-12

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

  7. Rotary thermodynamic apparatus and method

    SciTech Connect

    Kantor, F. W.

    1985-06-25

    A rotary inertial thermodynamic absorptive system which can be used as a gas-driven heat pump, a heat-flow-driven gas pump, or, in combination, a heat splitter for moving low-grade heat energy from a lower temperature source to a higher temperature heat sink. In one embodiment, an absorptive type rotary inertial thermodynamic device employs overspill/underspill barriers in its absorption and desorption chambers to achieve counterflow heat exchange therebetween and to ensure effective control of thermodynamic impedance.

  8. Thermodynamic assessment of the Pr-O system

    SciTech Connect

    McMurray, Jake W.

    2015-12-24

    We found that the Calphad method was used to perform a thermodynamic assessment of the Pr–O system. Compound energy formalism representations were developed for the fluorite α-PrO 2–x and bixbyite σ-Pr 3 O 5 ± x solid solutions while the two-sublattice liquid model was used to describe the binary melt. The series of phases between Pr 2 O 3 and PrO 2 were taken to be stoichiometric. Moreover, the equilibrium oxygen pressure, phase equilibria, and enthalpy data were used to optimize the adjustable parameters of the models for a self-consistent representation of the thermodynamic behavior of the Pr–O system from 298 K to melting.

  9. Statistical thermodynamics of material transport in nonisothermal suspensions.

    PubMed

    Semenov, Semen; Schimpf, Martin

    2015-02-26

    An approach to the transport of material in a temperature gradient is outlined using nonequilibrium thermodynamics theory. The model is applicable to the thermophoresis of colloids and nanoparticles in systems with limited miscibility. Component chemical potentials in binary systems are calculated using statistical mechanics. The local pressure distribution is obtained using the condition of local thermodynamic equilibrium around the suspended particle. The Laplace contribution of the local pressure distribution within the layer of liquid surrounding the particle leads to a size dependence that is consistent with empirical data. The contribution of Keezom interaction to the thermodiffusion coefficient is calculated using empirical values of the thermodiffusion coefficient for silica particles in water and acetonitrile. The resulting interaction energies are consistent with those found in the literature.

  10. Thermodynamic assessment of the Pr-O system

    DOE PAGES

    McMurray, Jake W.

    2015-12-24

    We found that the Calphad method was used to perform a thermodynamic assessment of the Pr–O system. Compound energy formalism representations were developed for the fluorite α-PrO 2–x and bixbyite σ-Pr 3 O 5 ± x solid solutions while the two-sublattice liquid model was used to describe the binary melt. The series of phases between Pr 2 O 3 and PrO 2 were taken to be stoichiometric. Moreover, the equilibrium oxygen pressure, phase equilibria, and enthalpy data were used to optimize the adjustable parameters of the models for a self-consistent representation of the thermodynamic behavior of the Pr–O system frommore » 298 K to melting.« less

  11. Dynamics versus thermodynamics

    NASA Astrophysics Data System (ADS)

    Berdichevsky, V. L.

    1991-05-01

    An effort is made to characterize the ways in which the approaches of statistical mechanics and thermodynamics can be useful in the study of the dynamic behavior of structures. This meditation proceeds through consideration of such wide-ranging and deliberately provocative questions as: 'What are to be considered values in a stress-distribution function?' and 'How many degrees-of-freedom has a beam?'; it then gives attention to the hierarchy of vibrations, the interaction of the mechanism of dissipation with invisible degrees of freedom, and a plausible view of vibrations for the case of small dissipation.

  12. Thermodynamics of Rubber Elasticity

    NASA Astrophysics Data System (ADS)

    Pellicer, J.; Manzanares, J. A.; Zúñiga, J.; Utrillas, P.; Fernández, J.

    2001-02-01

    A thermodynamic study of an isotropic rubber band under uniaxial stress is presented on the basis of its equation of state. The behavior of the rubber band is compared with both that of an ideal elastomer and that of an ideal gas, considering the generalized Joule's law as the ideality criterion. First, the thermal expansion of rubber at constant stress and the change in the stress with temperature at constant length are described. Thermoelastic inversion is then considered, and the experimental observations are easily rationalized. Finally, the temperature changes observed in the adiabatic stretching of a rubber band are evaluated from the decrease of entropy with length.

  13. Stochastic thermodynamics of resetting

    NASA Astrophysics Data System (ADS)

    Fuchs, Jaco; Goldt, Sebastian; Seifert, Udo

    2016-03-01

    Stochastic dynamics with random resetting leads to a non-equilibrium steady state. Here, we consider the thermodynamics of resetting by deriving the first and second law for resetting processes far from equilibrium. We identify the contributions to the entropy production of the system which arise due to resetting and show that they correspond to the rate with which information is either erased or created. Using Landauer's principle, we derive a bound on the amount of work that is required to maintain a resetting process. We discuss different regimes of resetting, including a Maxwell demon scenario where heat is extracted from a bath at constant temperature.

  14. Particle acceleration in binaries

    NASA Astrophysics Data System (ADS)

    Sinitsyna, V. G.; Sinitsyna, V. Y.

    2017-06-01

    Cygnus X-3 massive binary system is one of the powerful sources of radio and X-ray emission consisting of an accreting compact object, probably a black hole, with a Wolf-Rayet star companion. Based on the detections of ultra high energy gamma-rays by Kiel and Havera Park, Cygnus X-3 has been proposed to be one of the most powerful sources of charged cosmic ray particles in the Galaxy. The results of long-term observations of the Cyg X-3 binary at energies 800 GeV-85 TeV detected by SHALON in 1995 are presented with images, integral spectra and spectral energy distribution. The identification of source with Cygnus X-3 detected by SHALON was secured by the detection of its 4.8 hour orbital period in TeV gamma-rays. During the whole observation period of Cyg X-3 with SHALON significant flux increases were detected at energies above 0.8 TeV. These TeV flux increases are correlated with flaring activity at a lower energy range of X-ray and/or at observations of Fermi LAT as well as with radio emission from the relativistic jets of Cygnus X-3. The variability of very high-energy gamma-radiation and correlation of radiation activity in the wide energy range can provide essential information on particle mechanism production up to very high energies. Whereas, modulation of very high energy emission connected to the orbital motion of the binary system, provides an understanding of the emission processes, nature and location of particle acceleration.

  15. Very Wide Binaries

    NASA Astrophysics Data System (ADS)

    Olling, Robert; Shaya, E.

    2011-01-01

    We develop Bayesian statistical methods for discovering and assigning probabilities to physical stellar companions. The probabilities depend on similarities in "corrected" proper motion, parallax, and the phase-space density of field stars. Very wide binaries with separations over 10,000 AU have recently been predicted to form during the dissolution process of low-mass star clusters. In this case, these wide systems would still carry information about the density and size of the star cluster in which they formed. Alternatively, Galactic tides and weak interactions with passing stars peel off stars from such very wide binaries in less than 1/2 of a Hubble time. In the past, these systems have been used to rule in/out MACHOs or less compact dark (matter) objects. Ours is the first all-sky survey to locate escaped companions that are still drifting along with each other, long after their binary bond has been broken. We test stars for companionship up to an apparent separation of 8 parsec: 10 to 100 times wider than previous searches. Among Hipparcos stars within 100 pc, we find about 260 systems with separations between 0.01 and 1 pc, and another 190 with separation from 1 to 8 parsec. We find a number of previously unnoticed naked-eye companions, among which: Capella & 50 Per; Alioth, Megrez & Alcor; gamma & tau Cen; phi Eri & eta Hor; 62 & 63 Cnc; gamma & tau Per; zeta & delta Hya; beta01, beta02 & beta03 Tuc; 44 & 58 Oph and pi & rho Cep. At least 15 of our candidates are exoplanet host stars.

  16. Solid/liquid interfacial free energies in binary systems

    NASA Technical Reports Server (NTRS)

    Nason, D.; Tiller, W. A.

    1973-01-01

    Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

  17. Isomorphic Viscosity Equation of State for Binary Fluid Mixtures.

    PubMed

    Behnejad, Hassan; Cheshmpak, Hashem; Jamali, Asma

    2015-01-01

    The thermodynamic behavior of the simple binary mixtures in the vicinity of critical line has a universal character and can be mapped from pure components using the isomorphism hypothesis. Consequently, based upon the principle of isomorphism, critical phenomena and similarity between P-ρ-T and T-η-(viscosity)-P relationships, the viscosity model has been developed adopting two cubic, Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR), equations of state (EsoS) for predicting the viscosity of the binary mixtures. This procedure has been applied to the methane-butane mixture and predicted its viscosity data. Reasonable agreement with the experimental data has been observed. In conclusion, we have shown that the isomorphism principle in conjunction with the mapped viscosity EoS suggests a reliable model for calculating the viscosity of mixture of hydrocarbons over a wide pressure range up to 35 MPa within the stated experimental errors.

  18. Solid/liquid interfacial free energies in binary systems

    NASA Technical Reports Server (NTRS)

    Nason, D.; Tiller, W. A.

    1973-01-01

    Description of a semiquantitative technique for predicting the segregation characteristics of smooth interfaces between binary solid and liquid solutions in terms of readily available thermodynamic parameters of the bulk solutions. A lattice-liquid interfacial model and a pair-bonded regular solution model are employed in the treatment with an accommodation for liquid interfacial entropy. The method is used to calculate the interfacial segregation and the free energy of segregation for solid-liquid interfaces between binary solutions for the (111) boundary of fcc crystals. The zone of compositional transition across the interface is shown to be on the order of a few atomic layers in width, being moderately narrower for ideal solutions. The free energy of the segregated interface depends primarily upon the solid composition and the heats of fusion of the component atoms, the composition difference of the solutions, and the difference of the heats of mixing of the solutions.

  19. Radiative Transfer in Decretion Disks of Be Binaries

    NASA Astrophysics Data System (ADS)

    Panoglou, D.; Faes, D. M.; Carciofi, A. C.; Okazaki, A. T.; Rivinius, Th.

    2017-02-01

    In this work we explore the effect of binarity on the decretion disk of Be stars in order to explain their variability. To this aim, we performed smoothed particle hydrodynamics (SPH) simulations on Be binary systems, following the matter ejected isotropically from the equator of the Be star towards the base of an isothermal decretion disk. We let the system evolve long enough to be considered at steady state, and focus on the effect of viscosity for coplanar prograde binary orbits. The disk structure is found to be locked to the orbital phase and to exhibit a dependence on the azimuthal angle. Additionally, we present the first results from detailed non-local thermodynamic equilibrium (non-LTE) radiative transfer calculations of the disk structure computed with the SPH code. This is achieved by the use of the three-dimensional (3D) Monte Carlo code HDUST, which can produce predictions with respect to a series of observables.

  20. Binary nanoparticle superlattices of soft-particle systems

    PubMed Central

    Travesset, Alex

    2015-01-01

    The solid-phase diagram of binary systems consisting of particles of diameter σA=σ and σB=γσ (γ≤1) interacting with an inverse p = 12 power law is investigated as a paradigm of a soft potential. In addition to the diameter ratio γ that characterizes hard-sphere models, the phase diagram is a function of an additional parameter that controls the relative interaction strength between the different particle types. Phase diagrams are determined from extremes of thermodynamic functions by considering 15 candidate lattices. In general, it is shown that the phase diagram of a soft repulsive potential leads to the morphological diversity observed in experiments with binary nanoparticles, thus providing a general framework to understand their phase diagrams. Particular emphasis is given to the two most successful crystallization strategies so far: evaporation of solvent from nanoparticles with grafted hydrocarbon ligands and DNA programmable self-assembly. PMID:26195799