WorldWideScience
1

Transport properties and Langevin dynamics of heavy quarks and quarkonia in the Quark Gluon Plasma  

CERN Document Server

Quark Gluon Plasma transport coefficients for heavy quarks and quark-antiquark pairs are computed through an extension of the results obtained for a hot QED plasma by describing the heavy-quark propagation in the eikonal approximation and by weighting the gauge field configurations with the Hard Thermal Loop effective action. It is shown that such a model allows to correctly reproduce, at leading logarithmic accuracy, the results obtained by other independent approaches. The results are then inserted into a relativistic Langevin equation allowing to follow the evolution of the heavy-quark momentum spectra. Our numerical findings are also compared with the ones obtained in a strongly-coupled scenario, namely with the transport coefficients predicted (though with some limitations and ambiguities) by the AdS/CFT correspondence.

2009-01-01

2

Systematics of high temperature perturbation theory: The two-loop electron self-energy in QED  

International Nuclear Information System (INIS)

In order to investigate the systematics of the loop expansion in high temperature gauge theories beyond the leading order hard thermal loop (HTL) approximation, we calculate the two-loop electron proper self-energy #SIGMA# in high temperature QED. The two-loop bubble diagram of #SIGMA# contains a linear infrared divergence. Even if regulated with a nonzero photon mass M of order of the Debye mass, this infrared sensitivity implies that the two-loop self-energy contributes terms to the fermion dispersion relation that are comparable to or even larger than the next-to-leading order (NLO) contributions of the one-loop #SIGMA#. Additional evidence for the necessity of a systematic restructuring of the loop expansion comes from the explicit gauge-parameter dependence of the fermion damping rate at both one and two loops. The leading terms in the high temperature expansion of the two-loop self-energy for all ...

2010-01-15

4

Fermion Determinants  

CERN Document Server

The current status of bounds on and limits of fermion determinants in two, three and four dimensions in QED and QCD is reviewed. A new lower bound on the two-dimensional QED determinant is derived. An outline of the demonstration of the continuity of this determinant at zero mass when the background magnetic field flux is zero is also given.

2002-01-01

5

Soluble theory of massless scalar two-dimensional QED  

Energy Technology Data Exchange (ETDEWEB)

In this Brief Report, we analyze a generalized theory of massless scalar QED{sub 2} and show that, unlike the conventional scalar QED{sub 2}, it is free from infrared divergence problems. The model is exactly soluble and may describe, in a (1+1)-dimensional space-time, noninteracting spin-one tachyons. {copyright} {ital 1999} {ital The American Physical Society}

1999-03-01

6

Photon shell game in three-resonator circuit quantum electrodynamics  

CERN Document Server

The generation and control of quantum states of light constitute fundamental tasks in cavity quantum electrodynamics (QED). The superconducting realization of cavity QED, circuit QED, enables on-chip microwave photonics, where superconducting qubits control and measure individual photon states. A long-standing issue in cavity QED is the coherent transfer of photons between two or more resonators. Here, we use circuit QED to implement a three-resonator architecture on a single chip, where the resonators are interconnected by two superconducting phase qubits. We use this circuit to shuffle one- and two-photon Fock states between the three resonators, and demonstrate qubit-mediated vacuum Rabi swaps between two resonators. This illustrates the potential for using multi-resonator circuits as photon quantum registries and for creating multipartite entanglement between delocalized bosonic ...

2010-01-01

7

Quantum electrodynamic and semiclassical interference effects in spontaneous radiation  

International Nuclear Information System (INIS)

The theory of spontaneous decay is studied using both quantum electrodynamics (QED) and semiclassical theories of radiation. There are qualitative differences between the theories in the prediction of interference phenomena. In QED, systems which were excited with pulsed laser light do not exhibit quantum interference effects associated with lower state splittings. On the other hand, semiclassical treatments of spontaneous decay do indicate the existence of interference effects not present in QED. In addition to this, differences are found between the predictions of fluorescence intensity in the presence of lower-state level crossings under continuous excitation. (U.S.).

1975-01-01

8

Dissipative dynamics of circuit-QED in the mesoscopic regime  

CERN Document Server

We investigate the behavior of a circuit QED device when the resonator is initially populated with a mesoscopic coherent field. The strong coupling between the cavity and the qubit produces an entangled state involving mesoscopic quasi-pointer states with respect to cavity dissipation. The overlap of the associated field components results in collapse and revivals for the Rabi oscillation. Although qubit relaxation and dephasing do not preserve these states, a simple analytical description of the dissipative dynamics of the circuit QED device including cavity relaxation as well as qubit dissipation is obtained from the Monte-Carlo approach. Explicit predictions for the spontaneous and induced Rabi oscillation signals are derived and sucessfully compared with exact calculations. We show that these interesting effects could be observed with a 10 photon field in forthcoming circuit QED experiments.

2007-01-01

9

Preparation of Cluster States for Many Atoms in Cavity QED  

International Nuclear Information System (INIS)

We propose a scheme for the generation of the cluster states for many atoms in cavity QED. In our scheme, the atoms are sent through nonresonant cavity fields in the vacuum states. The cavity fields are only virtually excited and no quantum information will be transferred from the atoms to the cavity fields. The advantage is that the cavities are suppressed during the procedure. The scheme can also be generalized to the ion trap system.

2007-07-15

10

Precise calculation of transition frequencies of hydrogen and deuterium based on a least-squares analysis  

CERN Document Server

We combine a limited number of accurately measured transition frequencies in hydrogen and deuterium, recent quantum electrodynamics (QED) calculations, and, as an essential additional ingredient, a generalized least-squares analysis, to obtain precise and optimal predictions for hydrogen and deuterium transition frequencies. Some of the predicted transition frequencies have relative uncertainties more than an order of magnitude smaller than that of the g-factor of the electron, which was previously the most accurate prediction of QED.

2005-01-01

11

Precision measurements of positronium decay rate and energy level  

CERN Document Server

Positronium is an ideal system for the research of the bound state QED. New precise measurement of orthopositronium decay rate has been performed with an accuracy of 150 ppm, and the result combined with the last three is 7.0401 +- 0.0007 mu s^-1. It is the first result to validate the 2nd order correction. The Hyper Fine Splitting of positronium is sensitive to the higher order corrections of the QED prediction and also to the new physics beyond Standard Model via the quantum oscillation into virtual photon. The discrepancy of 3.5 sigma is found recently between the measured values and the QED prediction (O(alpha^3)). It might be due to the contribution of the new physics or the systematic problems in the previous measurements: (non-thermalized Ps and non-uniformity of the magnetic field). We propose new methods to measure HFS precisely without the these uncertainties.

2008-01-01

12

Thermodynamic Stable Metal Compositions  

International Science & Technology Center (ISTC)

Thermodynamic Stable Metal Compositions for Improvement of an Operational Safety of Constructional Materials under Conditions of Multifactor Loadings of an Aggressive Environment

13

The relationship of time and space  

CERN Document Server

We show that, in addition to radiation travelling at the speed of light, QED theory predicts a second type of radiation with an infinite velocity. We also show that charge, as it appears in the Dirac equation, may have a triune nature.

2004-01-01

14

QED processes on e"+e"#+-#-, ep-, #gamma##gamma#-colliders  

International Nuclear Information System (INIS)

The present status of theoretical description of deep-inelastic lepton-nucleon as well as large angle Bhabha scattering with account for radiative corrections in the leading and next-to-leading approximations are reviewed. Also considered is a build-up principle and physical programme of the photon-photon colliders

15

Atoms as Qed bound atoms  

International Nuclear Information System (INIS)

The relevance of Quantum Electrodynamics (Qed) in contemporary atomic structure theory is reviewed. Recent experimental advances allow both the production of heavy ions of high charge as well as the measurement of atomic properties with a precision never achieved before. The description of heavy atoms with few electrons via the successive incorporation of one, two, etcetera photons in a rigorous manner and within the bound state Furry representation of Qed is technically feasible. For many-electron atoms the many-body (correlation) effects are very important and it is practically impossible to evaluate all the relevant Feynman diagrams to the required accuracy. Thus, it is necessary to develop a theoretical scheme in which the radiative and nonradiative effects are taken into account in an effective way making emphasis in electronic correlation. Preserving gauge invariance, and avoiding both continuum dissolution and variational collapse are ...

16

Anomalous positron excess from Lorentz-violating QED  

CERN Document Server

We entertain the idea that a suitable background of cold (very low momentum) pseudoscalar particles or condensate, may trigger a background that effectively generates Lorentz-invariance violation. This aether-like background induces a Chern-Simons modification of QED. Physics is different in different frames and, in the rest frame of the pseudoscalar background, high momentum photons can decay into pairs. The threshold for such decay depends quadratically on the rest mass of the particles. This mechanism could explain in a natural way why antiprotons are absent in recent cosmic ray measurements. A similar signal could be used as a probe of pseudoscalar condensation in heavy ion collisions.

2009-01-01

17

Quantum dot micropillars  

International Nuclear Information System (INIS)

This topical review provides an overview of quantum dot micropillars and their application in cavity quantum electrodynamics (cQED) experiments. The development of quantum dot micropillars is motivated by the study of fundamental cQED effects in solid state and their exploitation in novel light sources. In general, light-matter interaction occurs when the dipole of an emitter couples to the ambient light field. The corresponding coupling strength is strongly enhanced in the framework of cQED when the emitter is located inside a low mode volume microcavity providing three-dimensional photon confinement on a length scale of the photon wavelength. In addition, coherent coupling between light and matter, which is essential for applications in quantum information processing, can be achieved when dissipative losses, predominantly due to photon leakage out of the cavity, are strongly reduced. In this paper, we will demonstrate ...

2010-01-27

18

Student Understanding of the First and Second Laws of Thermodynamics  

Science.gov (United States)

This presentation from the 2006 PTEC Conference presents education research on topics in thermodynamics. Student responses to conceptual thermodynamics questions, and the conceptions they reveal, are presented. Tutorial materials developed to help students gain a better understanding of the topic are also presented.

2006-09-30

19

Thermodynamics &  

Wastenet

... Thermodynamics & Fluid - EA BOOKS About us | My EA Books | Contact us | Authors Home page Currently ...Electronics Environmental Management Mechanical Multi-disciplinary Quality Railways Structural Water CATEGORIES Books Mechanical Thermodynamics & Fluid Thermodynamics & Fluid Display: 10 results ... Display product Add to shopping basket Engineering Thermodynamics: A Computer Approach, 3rd Edition AU$99.09 ex-GST Terms and Conditions A ...textbook for applied or engineering thermodynamics, or as a reference for practicing engineers, the book uses extensive in-text, solved examples and ...

20

Thermodynamics of Multivalent Interactions: Influence of the Linker  

UK PubMed Central (United Kingdom)

This paper describes a thermodynamic analysis of multivalent interactions, with the goal of clarifying the influence of the linker on the enhancement in avidity due to multivalency. The use...Full Text Available

2010-06-01

21

NEX - Analysis of ENSO Dynamics and ThermoDynamics in the ... - NASA  

Science.gov (United States)

Analysis of ENSO Dynamics and ThermoDynamics in the Western Pacific Warm Pool - An Application of Multi-Sensor Satellite Observations. ...

22

Strong laser fields as a probe for fundamental physics  

CERN Document Server

Upcoming high-intensity laser systems will be able to probe the quantum-induced nonlinear regime of electrodynamics. So far unobserved QED phenomena such as the discovery of a nonlinear response of the quantum vacuum to macroscopic electromagnetic fields can become accessible. In addition, such laser systems provide for a flexible tool for investigating fundamental physics. Primary goals consist in verifying so far unobserved QED phenomena. Moreover, strong-field experiments can search for new light but weakly interacting degrees of freedom and are thus complementary to accelerator-driven experiments. I review recent developments in this field, focusing on photon experiments in strong electromagnetic fields. The interaction of particle-physics candidates with photons and external fields can be parameterized by low-energy effective actions and typically predict characteristic optical signatures. I perform first estimates of the accessible ...

2008-01-01

23

Stability of the hydrogen atom of classical electrodynamics  

CERN Document Server

We study the stability of the circular orbits of the electromagnetic two-body problem of classical electrodynamics. We introduce the concept of resonant dissipation, i.e. a motion that radiates the center-of-mass energy while the interparticle distance performs bounded oscillations about a metastable orbit. The stability mechanism is established by the existence of a quartic resonant constant generated by the stiff eigenvalues of the linear stability problem. This constant bounds the particles together during the radiative recoil. The condition of resonant dissipation predicts angular momenta for the metastable orbits in reasonable agreement with the Bohr atom. The principal result is that the emission lines agree with the predictions of quantum electrodynamics (QED) with 1 percent average error even up to the $40^{th}$ line. Our angular momenta depend logarithmically on the mass of the heavy body, such that the deuterium and the muonium atoms have essentially the ...

2004-01-01

24

Complexity of chaotic fields and standard model parameters  

CERN Document Server

In order to understand the parameters of the standard model of electroweak and strong interactions (coupling constants, masses, mixing angles) one needs to embed the standard model into some larger theory that accounts for the observed values. This means some additional sector is needed that fixes and stabilizes the values of the fundamental constants of nature. In these lecture notes we describe in nontechnical terms how such a sector can be constructed. Our additional sector is based on rapidly fluctuating scalar fields that, although completely deterministic, evolve in the strongest possible chaotic way and exhibit complex behaviour. These chaotic fields generate potentials for moduli fields, which ultimately fix the fundamental parameters. The chaotic dynamics can be physically interpreted in terms of vacuum fluctuations. These vacuum fluctuations are different from those of QED or QCD but coupled with the same moduli fields as QED and QCD ...

2007-01-01

25

Thermodynamics on the apparent horizon in generalized gravity theories  

International Nuclear Information System (INIS)

We present a general procedure to construct the first law of thermodynamics on the apparent horizon and illustrate its validity by examining it in some extended gravity theories. Applying this procedure, we can describe the thermodynamics on the apparent horizon in Randall-Sundrum braneworld imbedded in a nontrivial bulk. We discuss the mass-like function which was used to link Friedmann equation to the first law of thermodynamics and obtain its special case which gives the generalized Misner-Sharp mass in Lovelock gravity.

2008-08-21

26

Main stages of a physical program for e{gamma} and {gamma}{gamma} colliders  

Energy Technology Data Exchange (ETDEWEB)

We discuss the main stages of a physical program for photon linear colliders. We consider the problems in electroweak theory, hadron physics, QCD, and nonlinear QED, as well as new particles and interactions, etc. The discussed stages constitute the parts of an entire ambitious program for linear colliders. ((orig.)).

1995-02-01

27

High energy physics  

International Nuclear Information System (INIS)

The research of the CELLO collaboration is reviewed. After a description of the CELLO detector tests of QCD and hadronic final states by determination of the strong coupling constant and studies of inclusive production of electrons and muons in multihadronic events in e"+e"- annihilation are described. Then studies of deep inelastic e#gamma# scattering with lepton pair production and the study of the structure function of the photon are briefly described. Finally studies on QED processes are described together with tau decays. (HSI).

1983-11-01

28

Gauge fixing, infrared divergences and confinement  

Energy Technology Data Exchange (ETDEWEB)

The generating functional in which the residual gauge freedom has been broken is related to the conventional generating functional for QED in arbitrary dimension. Closed expressions which relate ordinary N-point Green functions to N-point Green functions in the different gauges are derived. The leading logarithmic behaviour of the electron propagator in three dimensions is thus obtained. It is argued that one should not ascribe much importance to the infrared behaviour of the fermion propagator in the context of confinement.

1984-09-27

29

Unifying evolutionary and thermodynamic information for RNA folding of multiple alignments  

UK PubMed Central (United Kingdom)

Computational methods for determining the secondary structure of RNA sequences from given alignments are currently either based on thermodynamic folding, compensatory base pair substitutions or both....Full Text Available

2008-11-01

30

Thermodynamic and structural analysis of microtubule assembly: the role of GTP hydrolysis.  

UK PubMed Central (United Kingdom)

Different models have been proposed that link the tubulin heterodimer nucleotide content and the role of GTP hydrolysis with microtubule assembly and dynamics. Here we compare the thermodynamics of...Full Text Available

1997-03-01

31

On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes  

UK PubMed Central (United Kingdom)

BackgroundIn this study we investigated the predictability of three thermodynamic quantities related to complex formation. As a model system we chose the host-guest complexes of...Full Text Available

32

Gross Thermodynamics of Heat Engines in Deep Interior of Earth  

UK PubMed Central (United Kingdom)

From the gross conservation laws of thermodynamics in a convecting material we derive a bound on the ratio of the rate of production of mechanical or magnetic energy to the rate of internal radioactive...Full Text Available

1975-04-01

33

Thermodynamic and thermoeconomic analyses of a trigeneration (TRIGEN) system with a gas-diesel engine: Part I - Methodology  

Energy Technology Data Exchange (ETDEWEB)

This paper consists of two parts. Part 1 deals with the thermodynamic and thermoeconomic methodology of a trigeneration (TRIGEN) system with a rated output of 6.5 MW gas-diesel engine while the application of the methodology is presented in Part 2. The system has been installed in the Eskisehir Industry Estate Zone in Turkey. Thermodynamic methodology includes the relations and performance parameters for energy and exergy analysis, while thermoeconomic methodology covers the cost balance relations, cost of products and thermodynamic inefficiencies, relative cost difference and exergoeconomic factor. (author)

2010-11-15

35

The thermodynamic behaviour of spray cooler in the climatic conditions of underground mines. Das thermodynamische Verhalten von Spruehkuehlern unter grubenklimatischen Betriebsbedingungen  

Energy Technology Data Exchange (ETDEWEB)

In this work, the thermodynamic behaviour of single-stage horizontal spray coolers with one or more spray levels is experimentally examined. Further, a spray cooler calculation model was developed, in order to describe the processes and to make a comparison of the results of calculation and measurement. The state of the mine climate and the cold water are taken as the thermodynamic reference. (orig.).

1988-09-14

36

Radiation decoherence, state vector collapse and QED nonequivalent representations  

CERN Document Server

The state vector evolution in the interaction of initial measured pure state with collective quantum system or the field with a very large number of degrees of freedom N is analysed in a nonperturbative QED formalism. As the example the measurement of the electron final state scattered on nucleus or neutrino is considered.In the nonperturbative field theory the complete manifold of the system states is nonseparable i.e. is described by tensor product of infinitely many independent Hilbert spaces. The interaction of this system with the measured state can result in the final states which belong to different Hilbert spaces which corresponds to different values of some classical observables,i.e. spontaneous symmetry breaking occurs. Interference terms (IT) between such states in the measurement of any Hermitian observable are infinitely small and due to it the final pure states can't be distinguished from the mixed ones, characteristic for the state collapse. The ...

1996-01-01

37

Coherent Electromagnetic Processes in Ultra-Peripheral Heavy-Ion Collisions  

CERN Document Server

We report measurements for coherent rho^0 production, AuAu->AuAu rho^0, and coherent rho^0 and e^+e^- pair production accompanied by mutual nuclear Coulomb excitation, AuAu->Au*Au* rho^0 and AuAuee, in ultra-peripheral relativistic gold-gold collisions (UPC). We discuss transverse momentum, mass, and rapidity distributions. The two photon-process of e^+e^- pair production is an important probe of strong field QED because of the large coupling Z*alpha=0.6. At sqrt{s}=200GeV, the e^+e^- production cross section agrees with lowest order QED calculations. The cross sections for coherent rho^0 production at sqrt{s}=130 and 200GeV are in agreement with theoretical predictions. The calculations for both, coherent e^+e^- and rho^0 production treat nuclear excitation as independent process.

2004-01-01

38

Bern-Kosower rule for scalar QED  

International Nuclear Information System (INIS)

We derive a full Bern-Kosower-type rule for scalar QED starting from quantum field theory: we derive a set of rules for calculating S-matrix elements for any processes at any order of the coupling constant. A gauge-invariant set of diagrams in general is first written in the world line path-integral expression. Then we integrate over x(#tau#), and the resulting expression is given in terms of a correlation function on the world line left-angle x(#tau#)x(#tau#"')right-angle. Simple rules to decompose the correlation function into basic elements are obtained. A gauge transformation known as the integration by parts technique can be used to reduce the number of independent terms before integration over proper-time variables. The surface terms can be omitted provided the external scalars are on shell. Also, we clarify correspondence to the conventional Feynman rule, which enabled us to avoid any ambiguity coming from the infinite dimensionality of the path-integral ...

39

Weyl gauge, Schwinger terms and bosonization in light-front field theory  

Energy Technology Data Exchange (ETDEWEB)

A systematic study of non-perturbative quantum structure of the massive light-front Schwinger model and QED(3+1) in the continuum formulation is outlined. The light-front Hamiltonian and field algebra are derived in the Weyl gauge using the Dirac-Bergmann constrained quantization. Unitary transformation to the light-cone gauge representation is performed and the gauge-invariant fermi field is constructed. The importance of the Schwinger term in the current-current commutation relations for the derivation of the fermionic vacuum structure and bosonization in two dimensions is indicated.

2002-04-01

40

Two-Loop Virtual Corrections to Drell-Yan Production at order alpha_s alpha^3  

CERN Document Server

The Drell-Yan mechanism for the production of lepton pairs is one of the most basic processes for physics studies at hadron colliders. It is therefore important to have accurate theoretical predictions. In this work we compute the two-loop virtual mixed QCD x QED corrections to Drell-Yan production. We evaluate the Feynman diagrams by decomposing the amplitudes into a set of known master integrals and their coefficients, which allows us to derive an analytical result. We also perform a detailed study of the ultraviolet and infrared structure of the two-loop amplitude and the corresponding poles in epsilon.

2011-01-01

41

Solution of the orthopositronium lifetime puzzle  

CERN Document Server

The intrinsic decay rate of orthopositronium formed in SiO/sub 2/ powder is measured using the direct 2 gamma correction method such that the time dependence of the pick-off annihilation rate is precisely determined. The decay rate of orthopositronium is found to be 7.0396+or-0.0012(stat.)+or-0.0011(sys.)/ mu s/sup -1/, which is consistent with our previous measurements with about twice the accuracy. Results agree well with the O( alpha /sup 2/) QED prediction, and also with a result reported very recently using nanoporous film.

2004-01-01

42

Thermodynamics in a turbocharged direct injection diesel engine  

Energy Technology Data Exchange (ETDEWEB)

Software has been developed for the calculation of the thermodynamic cycle and the entropy changes in a turbocharged, direct injection, diesel engine based upon the measured cylinder pressure and a shaft encoder output. Assumptions of homogeneous mixture and equilibrium thermodynamic properties are made for the products of combustion and temporal variation in the fluid thermodynamic state is followed in a quasi-steady manner through a series of adjacent equilibrium states, each separated by finite intervals of one degree crank angle (1degCA). The thermodynamic properties are calculated by either of two equivalent formulations -- equilibrium constant or minimisation of Gibbs free energy, and are expressed in algebraic equations of the partial derivative of internal energy and gas constant with respect to temperature, pressure and equivalence ratio. The effect of the engine operating conditions on the ...

1998-02-01

43

Thermodynamics of potassium diclofenac salt aqueous solutions at various temperatures  

British Library Electronic Table of Contents (United Kingdom)

Solution and dilution enthalpies of aqueous solutions of potassium diclofenac salt (K_DC) were measured by an isoperibolic calorimeter at 298.15 and 318.5?K. Heat capacities of the solutions with concentrations 0.002?0.09?mol?kg?1 were obtained at the temperature interval of 288.15?318.15?K using a scanning adiabatic microcalorimeter. The virial coefficients were derived from Pitzer?s model, and the excess thermodynamic functions of both the solvent and the solute of the solution were calculated. The concentration and temperature dependencies of thermodynamic characteristics of the solution were analyzed and discussed.

2011-01-01

44

Thermodynamic Model of Aluminum Combustion in SDF Explosions  

Energy Technology Data Exchange (ETDEWEB)

Thermodynamic states encountered during combustion of Aluminum powder in Shock-Dispersed-Fuel (SDF) explosions were analyzed with the Cheetah code. Results are displayed in the Le Chatelier diagram: the locus of states of specific internal energy versus temperature. Accuracy of the results was confirmed by comparing the fuel and products curves with the heats of detonation and combustion, and species composition as measured in bomb calorimeter experiments. Results were fit with analytic functions u = f(T) suitable for specifying the thermodynamic properties required for gas-dynamic models of combustion in explosions.

2006-06-19

45

An experimental and molecular-statistical study of the adsorption of the iodobenzene, 2-iodothiophene, and isomeric iodoadamantane molecules on the graphite basal face surface  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?(r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of ...

2011-01-01

46

Thermodynamic, Transport and Chemical Properties of " ...  

Science.gov (United States)

... Chem. Res., in press, 2006. 8. Smith, BL, Bruno, TJ, Advanced distillation curve measurement with a model predictive temperature controller. Int. ...

2006-06-01

47

Thermal non equilibrium in two phase flow  

International Nuclear Information System (INIS)

Twenty eight reports presented in the 7th Eurotherm seminar are contained in this publication. They cover the main aspects of the thermodynamics in relation to nuclear systems or having reference to them.

1989-03-23

48

Quantum Thermodynamic Cycles and quantum heat engines  

CERN Document Server

In order to describe quantum heat engines, here we systematically study isothermal and isochoric processes for quantum thermodynamic cycles. Based on these results the quantum versions of both the Carnot heat engine and the Otto heat engine are defined without ambiguities. We also study the properties of quantum Carnot and Otto heat engines in comparison with their classical counterparts. Relations and mappings between these two quantum heat engines are also investigated by considering their respective quantum thermodynamic processes. In addition, we discuss the role of Maxwell's demon in quantum thermodynamic cycles. We find that there is no violation of the second law, even in the existence of such a demon, when the demon is included correctly as part of the working substance of the heat engine.

2006-01-01

49

Optimal thermodynamic heat transfer  

Energy Technology Data Exchange (ETDEWEB)

This paper presents a set of heuristics useful for optimal design of heat-exchange networks and integrated heat and power systems. These heuristics consolidate other approaches reported in the literature in a formalism useful for design purposes.

1989-06-01

50

On the ideal gas of tachyons  

International Nuclear Information System (INIS)

The properties of the ideal gas of classical (nonquantum) tachyons are considered. Starting from the definition of thermodynamic functions for this system, it may be found that tachyons and bradyons gases are similar. (AA).

51

Dynamics of multicomponent vesicles in a viscous fluid  

UK PubMed Central (United Kingdom)

We develop and investigate numerically a thermodynamically consistent model of two-dimensional multicomponent vesicles in an incompressible viscous fluid. The model is derived using an energy...Full Text Available

2010-01-01

52

An experimental and molecular-statistical study of the adsorption of the iodobenzene, 2-iodothiophene, and isomeric iodoadamantane molecules on the graphite basal face surface  

Science.gov (United States)

The thermodynamic characteristics of adsorption of iodobenzene, 2-iodothiophene, and 1- and 2-iodoadamantanes on the surface of graphitized thermal carbon black were determined experimentally. The influence of the special features of the molecular structure of the adsorbates on the thermodynamic characteristics of adsorption was studied. The atom-atom approximation of the semiempirical molecular-statistical theory of adsorption was used to calculate the thermodynamic characteristics of adsorption of the adsorbates using the newly determined potential function parameters of pair intermolecular interaction (?( r)) of I with C atoms of the basal graphite face. For the example of isostructural monohalogenated benzenes, thiophenes, and adamantanes, a comparative analysis of the contributions of the F, Cl, Br, and I atoms to the thermodynamic characteristics of adsorption was performed for the nonspecific ...

2011-04-01

53

Whispering gallery modes in silicon-nanocrystal-coated silica microspheres  

Energy Technology Data Exchange (ETDEWEB)

Silica microspheres were deposited into two-dimensional periodic arrays and coated with a thin layer of silicon nanocrystals. The luminescence from the silicon nanocrystals coupled into the whispering gallery modes of the spheres, with Q factors that depended on a range of parameters including sphere size, position on the sphere, viewing direction, and thickness of the nanocrystal coating. Scattering from the film-sphere and/or the sphere-substrate contacts resulted in a lower Q for modes that intersect these regions. The highest Q factors obtained in this work were {approx}1500. The results suggest that silica microspheres may be promising candidates for high-Q cavities that incorporate silicon nanocrystals for cavity QED or nonlinear optical effects.

2007-10-15

54

Two-level atom at finite temperature  

CERN Document Server

Properties of a two-level atom coupled to the quantized electromagnetic field at finite temperature are studied. The analysis is based on a new method (inspired by QED) of describing qubits, developed previously by us at zero temperature (Phys. Rev. A 76, 062106 (2007)). In this paper, we make a generalization to finite temperature by introducing the Matsubara formalism and the temperature propagators. We analyze the spectral properties of different types of propagators and we derive a direct connection between the temperature propagators and the real time propagators. To show the effectiveness of this method, we calculate the temperature dependence of the polarizability of a two-level atom in the lowest order of perturbation theory and we predict an unexpected sharpness in the resonance behavior. The whole discussion is carried out without making the rotating wave approximation.

2009-01-01

55

Proceedings of the first meeting on e{gamma}/{gamma}{gamma} colliders  

Energy Technology Data Exchange (ETDEWEB)

The first meeting on e{gamma}/{gamma}{gamma} colliders was held on September 28 and 29, 1993, at the National Laboratory for High Energy Physics. After general remarks were delivered, lectures were given on QED in intense laser field, photon linear collider, laser focusing, luminosity distribution in the e{gamma}/{gamma}{gamma} colliders, QCD correction for {gamma}{gamma}{yields}H, radiation correction for e{gamma}/{nu}W process, SUSY particle production at the e{gamma} and {gamma} gamma colliders, formation of e{sup *} in e{gamma} collision, and general remarks on the theory. Discussion was carried out on `Where are we going from here?` In this book, the gists of the lectures are collected. (K.I.).

1994-01-01

56

Planar QED at finite temperature and density: Hall conductivity, Berry's phases and minimal conductivity of graphene  

CERN Document Server

We study 1-loop effects for massless Dirac fields in two spatial dimensions, coupled to homogeneous electromagnetic backgrounds, both at zero and at finite temperature and density. In the case of a purely magnetic field, we analyze the relationship between the invariance of the theory under large gauge transformations, the appearance of Chern-Simons terms and of different Berry's phases. In the case of a purely electric background field, we show that the effective Lagrangian is independent of the chemical potential and of the temperature. More interesting: we show that the minimal conductivity, as predicted by the quantum field theory, is the right multiple of the conductivity quantum and is, thus, consistent with the value measured for graphene, with no extra factor of pi in the denominator.

2009-01-01

57

Physical problems in proceses accompanying the laser conversion e#->##gamma#  

International Nuclear Information System (INIS)

Physical processes in the region of laser conversion for the next Linear Colliders (NLC) are discussed. The main goal of this conversion is to obtain high-energy intense #gamma# beams for #gamma#e and #gamma##gamma# colliders. This conversion has important by-products: (i) one can observe here effect of nonlinear QED (in a strong external field)-production of e"+e"- pairs by a high-energy photon and emission of very high-energy photons by an electron; (ii) one can produce and observe here the invisible axion in colliding #gamma#_0e beams. The NQED effects also result in variation of the spectra of high-energy photons and an additional background. 12 refs., 12 figs., 1 tab.

58

PHOTON-HADRON INTERACTIONS AT RHIC AND LHC ENERGIES.  

Energy Technology Data Exchange (ETDEWEB)

Heavy Ion Collisions at RHIC and LHC energies are potentially an interesting laboratory for the study of QED. In these collisions, a Heavy Ion in one beam sees a highly Lorentz contracted electric field due to an oncoming beam particle. The Electric field reaches a maximum value of E {approx_equal} {gamma}{sub eff} {center_dot} Z {center_dot} e/b{sup 2}, where the apparent Lorentz factor, {gamma}{sub eff} = 2 {center_dot} {gamma}{sub beam}{sup 2} - 1. The collision may be viewed in terms of a flux of photons colliding with a stationary ion target using the equivalent photon approximation, originally introduced by Fermi in 1924. We show that the cross section for Inelastic Electromagnetic Interactions of Heavy Ions are both calculable and have been measured in the first RHIC running period.

2002-03-01

59

On virtual phonons, photons and electrons  

CERN Document Server

A macroscopic realization of the strange virtual particles is presented. The classical Helmholtz and the quantum mechanical Schr\\"odinger equations are analogous differential equations. Their imaginary solutions are called evanescent modes in the case of elastic and electromagnetic fields. In the case of non-relativistic quantum mechanical fields they are called tunneling solutions. The imaginary solutions of this differential equation point to strange consequences: They are non local, they are not observable, and they described as virtual particles. During the last two decades QED calculations of the imaginary solutions have been experimentally confirmed for phonons, photons, and for electrons. The experimental proofs of the predictions of the non-relativistic quantum mechanics and of the Wigner phase time approach for the elastic, the electromagnetic and the Schr\\"odinger fields will be presented in this article. The results are zero tunneling time and an ...

2009-01-01

60

Nuclear Charge Radius of Lithium-11  

Energy Technology Data Exchange (ETDEWEB)

We have determined the nuclear charge radius of 11Li by high-precision laser spectroscopy. The experiment was performed at the TRIUMF-ISAC facility where the 7Li-11Li isotope shift was measured in the 2s to 3s electronic transition using Doppler-free two-photon spectroscopy with a relative accuracy better than 10 5. The accuracy reached in previous experiments on the other lithium isotopes was improved. Most of the isotope shifts measured in the experiment are due to difference in the mass of the nuclei but small contributions are produced by the change in proton distribution, QED and relativistic effects have to be taken into account as well. By comparing the experimental results with sophisticated atomic calculations of the mass dependent effect the nuclear charge radii of the lithium isotopes are found to decrease monotonically from 6Li to 9Li while the nuclear charge radius of 11Li is about 11% larger than that of 9Li.

2006-07-01

61

Bound state QED effects from the Schroedinger equation  

International Nuclear Information System (INIS)

We present a new relativistic bound-state formalism for two interacting Fermi-Dirac particles. The kernel of the integral equation for the bound-state system is generated by summing Feynman scattering amplitudes and multiplying by a bound-state amplitude. The method is illustrated through calculations of the hyperfine and fine splittings of positronium up to order #alpha#"5. Our calculations of the one-loop contributions are carried out in the explicitly covariant Feynman gauge. We also present new results for the hyperfine and fine splittings in positronium to order #alpha#"5 for arbitrary principal quantum number n, which are easily obtained owing to the virtue of conceptual and calculational simplicity of our formalism. In addition, we present the one-loop renormalization scheme in our formalism. (author).

62

A sum rule approach to the violation of Dashen`s theorem; Une approache de la violation du theoreme de Dashen par les regles de somme  

Energy Technology Data Exchange (ETDEWEB)

A classic sum rule by Das et al. is extended to seven of the low-energy constant K{sub i}, introduced by Urech, which parameterizes electromagnetic corrections at chiral order O(e{sup 2}p{sup 2}). Using the spurion formalism, a simple convolution representation is shown to hold and the structure in terms of the chiral renormalization scale, QCD renormalization scale and the QED gauge parameter is displayed. The role of the resonances is studied as providing rational interpolants to relevant QCD n-point functions in the Euclidean domain. A variety of asymptotic constraints must be implemented which have phenomenological consequences. A current assumption concerning the dominance of the lowest-lying resonances is shown clearly to fail in some cases. (author)

1999-10-01

63

Thermodynamics of superconductors with a disorder induced increased Coulomb repulsion  

Energy Technology Data Exchange (ETDEWEB)

It is shown that thermodynamic properties can be used to determine whether, the degradation in Tsub(c) with increasing disorder observed in some A-15 compounds, is due to a reduction in electronic density of states and/or electron-phonon interaction or is due instead to an increase in Coulomb repulsion ..mu..* coming from increased localization as suggested by Anderson et al.

1985-03-01

64

Thermodynamics of reactions of chemically stable ceramics formation  

Energy Technology Data Exchange (ETDEWEB)

Theoretical thermodynamical calculations for the ZrO/sub 2/- Al/sub 2/O/sub 3/-SiO/sub 2/ system are given to expose the regions of the most chemically stable products of crystallization. It is established that ceramics on the base of mullite with zircon addition and containing the minimum quantity of glass phase should be preferably used in chemical media containing HCl.

1981-06-01

65

Steam generator PGV-1000 thermal-hydraulics  

International Nuclear Information System (INIS)

The main features are presented of a computer programme for 3-D thermohydraulic and thermodynamic analysis of the PGV-1000 horizontal steam generator used at the Temelin NPP. The programme provides analyses of primary side hydraulics, heat exchange behavior and the steam generator secondary side thermohydraulics and thermodynamics. Given are calculated data on the circulation flow rate, void fraction, heat transfer dynamics and the swelled level. (Z.S.) 9 figs.

1995-09-21

66

Nonisothermal Flows of Viscoelastic Fluids: Thermodynamics, Analysis and Numerical Simulation (Niet-Isotherme Stroming van Visco-Elastische Vloeistoffen: Thermodynamica, Analyse en Numerieke Simulatie).  

Science.gov (United States)

The primary of this thesis is the derivation of nonisothermal equations for isotropic viscoelastic materials with the help of the thermodynamics. Because the description of all phenomena would be too ambitious for one thesis, the area of investigation has...

1996-01-01

67

Dry storage concepts and their thermodynamic layout  

International Nuclear Information System (INIS)

The two favourable dry storage concepts being under consideration in the Federal Republic of Germany are presented and the physical behaviour or natural convection cooling with air is explained. With the three examples cask store, vault storage horizontally and vertically arranged the main thermodynamical design parameters and their influence on the efficiency of the cooling system and on the temperature distribution inside the store and of the stored material are discussed. Moreover, the importance of the fulfilment and the harmony of all safety criteria and the difficulties while to do so are carried out especially with the vault store.

68

Developments in geothermal energy in Mexico. Pt. 7. Thermodynamic analysis of the operation of geothermal electric power generation facilities  

Energy Technology Data Exchange (ETDEWEB)

The operating histories and performance of a large (180 MWsub(e)) central condensing plant and five small (5 MWsub(e)) wellhead backpressure power plants are presented. The thermodynamic performance of the central plant is compared with an estimated possible performance based upon the work of Michaelides. Both types of plant have been shown to be reliable despite some problems due to the contaminants which are associated with geothermal steam.

1986-01-01

69

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

International Nuclear Information System (INIS)

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

70

Final State QED Bremsstrahlung in Resonance Decays and Detector Level Universality: Phenomenological Precision Tools  

International Nuclear Information System (INIS)

The status of Monte Carlo system for the simulation of Bremsstrahlung in arbitrary decays and for the decay itself of #tau# -lepton is reviewed. During the last #tau# -lepton conference in 2010 several developments of the last two years have been presented: (i) For the TAUOLA Monte Carlo generator of #tau# -lepton decays, automated and simultaneous use of many versions of form-factors for the calculation of optional weights for fits was developed and checked to work in Belle and BaBar software environment. On-going work on alternative parameterizations of hadronic decays is presented too. (ii) The TAUOLA universal interface based on HepMC (the C++ event record) is now public. A similar interface for PHOTOS is now also public. (iii) Extension of PHOTOS Monte Carlo for QED Bremsstrahlung in decays featuring kernels based on complete first order matrix element are gradually becoming widely available thanks to properties of the new, HepMC based interface. (iv) Tests of ...

2011-07-01

71

The thermodynamic characteristics of retention of tricyclo[5.2.1.02,6]decane isomer molecules on different sorbents in gas chromatography  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructura...

2008-01-01

72

Irreversible Performance of a Quantum Harmonic Heat Engine  

CERN Document Server

The unavoidable irreversible losses of power in a heat engine are found to be of quantum origin. Following thermodynamic tradition a model quantum heat engine operating by the Otto cycle is analyzed. The working medium of the model is composed of an ensemble of harmonic oscillators. A link is established between the quantum observables and thermodynamical variables based on the concept of canonical invariance. These quantum variables are sufficient to determine the state of the system and with it all thermodynamical variables. Conditions for optimal work, power and entropy production show that maximum power is a compromise between the quasistatic limit of adiabatic following on the compression and expansion branches and a sudden limit of very short time allocation to these branches. At high temperatures and quasistatic operating conditions the efficiency at maximum power coincides with the endoreversible result. The optimal ...

2006-01-01

73

Extension of the implicit curve-fitting method for fast calculation of thermodynamic properties of refrigerants in supercritical region  

Energy Technology Data Exchange (ETDEWEB)

The implicit curve-fitting method has been used for fast and stable calculations of thermodynamic properties of subcritical refrigerants, and it has to use the saturated liquid or vapor state as the reference state. In order to extend the application range of this method in supercritical region, an isothermal state in the supercritical region is used as the reference state, and the implicit equations for supercritical refrigerants in this state and out of this state are established, respectively. The new calculation method can be used in the entire supercritical region. With the new method, thermodynamic properties of supercritical CO{sub 2} and R410A are predicted and compared with REFPROP 8. It shows that the total mean relative deviations of the fast calculation formulae from REFPROP 8 are less than 1%, while the mean calculation speeds of the fast calculation formulae are more than 100 times faster than those of REFPROP 8. (author)

2009-11-15

74

Estimation of thermodynamic properties of the ternary molten salt system, LiF-NaF-BeF2, by the modified Peng-Robinson equation  

British Library Electronic Table of Contents (United Kingdom)

The molten salt reactor (MSR), which is one of the generation IV reactors, can meet the demand of transmutation and breeding. The thermodynamic properties of the molten salt system like LiF-NaF-BeF2 influence the design and construction of the fuel salt and coolant in the MSR for the new generation. In this paper, the equation of state of the ternary system 15%LiF-58%NaF-27%BeF2, over the temperature range from 873.15 to 1 073.15 K at one atmosphere pressure, is described using a modified Peng-Robinson (PR) equation. The densities of the ternary system and its components are estimated by this equation directly, and compared with the experimental data. Based on the equation of state, the other thermodynamic properties such as the enthalpy, entropy and heat capacity at constant pressure are ...

2007-01-01

75

Analytic Thermodynamics and Thermometry of Gaudin-Yang Fermi Gases  

International Nuclear Information System (INIS)

We study the thermodynamics of a one-dimensional attractive Fermi gas (the Gaudin-Yang model) with spin imbalance. The exact solution has been known from the thermodynamic Bethe ansatz for decades, but it involves an infinite number of coupled nonlinear integral equations whose physics is difficult to extract. Here the solution is analytically reduced to a simple, powerful set of four algebraic equations. The simplified equations become universal and exact in the experimental regime of strong interaction and relatively low temperature. Using the new formulation, we discuss the qualitative features of finite-temperature crossover and make quantitative predictions on the density profiles in traps. We propose a practical two-stage scheme to achieve accurate thermometry for a trapped spin-imbalanced Fermi gas.

2009-10-02

76

Uracil-DNA glycosylase: Structural, thermodynamic and kinetic aspects of lesion search and recognition  

UK PubMed Central (United Kingdom)

Uracil appears in DNA as a result of cytosine deamination and by incorporation from the dUTP pool. As potentially mutagenic and deleterious for cell regulation, uracil must be removed from DNA....Full Text Available

2010-03-01

77

Thermodynamic properties of carbosilane dendrimers of the third to the sixth generations with terminal butyl groups in the range from T->0 to 600K  

Energy Technology Data Exchange (ETDEWEB)

In the present work temperature dependences of heat capacity of carbosilane dendrimers with butyl terminal groups of the third and the fourth generations as well as of the fifth and the sixth generations have been determined first in the range from 6 to 340K and between 6 and 600K, respectively, by precision adiabatic vacuum and dynamic calorimetry. In the above temperature ranges the physical transformations have been detected and their thermodynamic characteristics have been estimated and analyzed. The experimental data were used to calculate standard thermodynamic functions, namely the heat capacity C{sub p}{sup o}(T), enthalpy H{sup o}(T)-H{sup o}(0), entropy S{sup o}(T)-S{sup o}(0) and Gibbs function G{sup o}(T)-H{sup o}(T), for the range from T->0 to (340-600)K. Linear dependences of changing the corresponding thermodynamic functions of the dendrimers on their molecular weight and the number of butyl groups on ...

2006-01-15

78

The Experimental Determination of the Thermodynamic and Hydrodynamic Mechanism of Augmented Flow Boiling in Tubes.  

Science.gov (United States)

Experimental results are presented for a new and unique heat transfer augmentation technique in tubes. The technique consists of inserting a porous mesh structure into the flow passage of the tube. Due to the increased degree of turbulence, both the singl...

1970-01-01

79

Study of the Energy Efficiency of the Melting Unit at the Rockwool Company Mineral Wool Process in Skoevde, Sweden.  

Science.gov (United States)

The melting unit, consisting of a water-cooled cupola furnace, afterburner, heat exchanger, air preheater, consumes most of the supplied energy in the rockwool process. The report maps the energy flows and defines factors of merit according to thermodynam...

1979-01-01

80

Self-organization of nickel atoms in silicon  

British Library Electronic Table of Contents (United Kingdom)

We present experimental evidence for self-organization of nickel microparticles in silicon under certain thermodynamic conditions of nickel diffusion doping. The concentration and distribution of the microparticles in silicon are very uniform. Additional anneals lead to self-ordering of the impurity microparticles.

2011-01-01

81

Improved free-energy parameters for predictions of RNA duplex stability.  

UK PubMed Central (United Kingdom)

Thermodynamic parameters for prediction of RNA duplex stability are reported. One parameter for duplex initiation and 10 parameters for helix propagation are derived from enthalpy and free-energy changes...Full Text Available

1986-12-01

82

How Protein Stability and New Functions Trade Off  

UK PubMed Central (United Kingdom)

Numerous studies have noted that the evolution of new enzymatic specificities is accompanied by loss of the protein's thermodynamic stability (ΔΔG), thus suggesting...Full Text Available

2008-02-01

83

Heats (enthalpies) of formation of coals and the thermodynamic evaluation of the coal formation process  

British Library Electronic Table of Contents (United Kingdom)

An approach to the calculation of the quantity of heat consumed in the process of coal formation is presented. The variability of this parameter in a coalification series is analyzed using coals from the Kuznetsk and Tunguska Basins as an example.

2011-01-01

84

Harnessing the geothermal resources of sedimentary basins for electricity production  

Science.gov (United States)

Use of geothermal resources for generating electricity is briefly analyzed. Results obtained from optimization of the thermodynamic cycle implemented in the secondary coolant circuit of a binary geothermal power station and the parameters of its primary heat carrier circuit are presented.

2011-02-01

85

Generators of nonequilibrium low-temperature plasma  

Energy Technology Data Exchange (ETDEWEB)

Results are described of a study and of the characteristics of sources of a non-equilibrium gas-discharge plasma. The plasma generators considered include glow, high frequency, and arc discharge generators. Thermodynamic, ionic, and electronic processes occurring in the plasmas are evaluated.

1988-06-01

86

Functional Characterization and Partial Purification of the Ubiquinol-Cytochrome c Oxidoreductase from Higher Plant Mitochondria (Helianthus tuberosus) 1  

UK PubMed Central (United Kingdom)

The functional and thermodynamic characteristics of the ubiquinolcytochrome (Cyt) c oxidoreductase in a Cyt b/c1-enriched fraction (defined...Full Text Available

1985-03-01

87

Characterization of discrete classes of binding sites of human serum albumin by application of thermodynamic principles.  

UK PubMed Central (United Kingdom)

The binding interactions of four ligands differing in acid-base properties with human serum albumin (HSA) were examined as a function of temperature. Binding to HSA decreased with increasing temperature...Full Text Available

1994-08-15

88

CHEMICAL SPECIATION OF FLUE GAS DESULFURIZATION SLUDGE CONSTITUENTS  

Science.gov (United States)

This project addresses the problem of flue gas desulfurization (FGD) sludge disposal to land. Specifically, the chemical species of FGD sludge constituents are thermodynamically modeled using the equilibrium constant approach, in an attempt to predict the constituent concentratio...

89

Binding of a Fluorescent Lipid Amphiphile to Albumin and its Transfer to Lipid Bilayer Membranes  

UK PubMed Central (United Kingdom)

Kinetics and thermodynamics of the binding of a fluorescent lipid amphiphile, Rhodamine Green™-tetradecylamide (RG-C14:0), to bovine serum albumin were characterized in an equilibrium...Full Text Available

2003-01-01

90

Thermodynamic modeling of acidic gas solubility in aqueous solutions of MEA, MDEA and MEA-MDEA blends  

DEFF Research Database (Denmark)

The thermodynamic framework that was developed in a previous work [Vrachnos et al. Ind. Eng. Chem. Res. 2004, 43, 2798] for the description of chemical and vapor-liquid equilibria of carbon dioxide, hydrogen sulfide, and their mixtures in aqueous methyldiethanolamine (MDEA) solutions is revised and extended in this study to the absorption of carbon dioxide into aqueous monoethanolamine (MEA) solutions and aqueous MDEA-MEA blends. The results of the model are compared with experimental data taken from the literature. Very satisfactory predictions of acidic gas vapor-liquid equilibrium over MDEA, MEA, and their blends at various concentrations, acidic gas loadings, and temperatures are obtained.

2006-01-01

91

Thermodynamic analysis of a hybrid geothermal heat pump system  

British Library Electronic Table of Contents (United Kingdom)

A thermodynamic analysis of a hybrid geothermal heat pump system is carried out. Mass, energy, and exergy balances are applied to the system, which has a cooling tower as a heat rejection unit, and system performance is evaluated in terms of coefficient of performance and exergy efficiency. The heating coefficient of performance for the overall system is found to be 5.34, while the corresponding exergy efficiency is 63.4%. The effect of ambient temperature on the exergy destruction and exergy efficiency is investigated for the system components. The results indicate that the performance of hybrid geothermal heat pump systems is superior to air-source heat pumps.

2011-01-01

92

Radon startup analysis at a Roosevelt Hot Springs, Utah geothermal well  

Energy Technology Data Exchange (ETDEWEB)

The evaluation of radon concentration measurements in newly developing geothermal reservoirs with the objective of determining the ability of measured changes in noncondensible gas components, such as radon, to predict changes in the thermodynamic properties of the reservoir is described. This ability would be especially useful in liquid-dominated resources, where changes in steam fraction are sensitive to changes in reservoir temperature and fluid enthalpy. Radon measurements were made in samples separated by phase at the outlets of a prototype rotary separator turbine. The data were examined in relation to the thermodynamic properties of the geofluids supplied by the test well.

1983-09-01

93

Modeling of (vapor + liquid) equilibrium and enthalpy of solution of carbon dioxide (CO{sub 2}) in aqueous methyldiethanolamine (MDEA) solutions  

Energy Technology Data Exchange (ETDEWEB)

A thermodynamic model was used to estimate enthalpy of solution of carbon dioxide (CO{sub 2}) in methyldiethanolamine (MDEA) aqueous solutions. The model was based on a set of equations for chemical equilibria, phase equilibria, charge, and mass balances. Non-ideality in the liquid phase was taken into account by interaction parameters fitted to (vapor + liquid) equilibrium data. The enthalpies of solution of CO{sub 2} were derived from the model using classical thermodynamic relations and were compared to experimental values obtained in previous works.

2009-06-15

94

Modeling of (vapor + liquid) equilibrium and enthalpy of solution of carbon dioxide (CO_2) in aqueous methyldiethanolamine (MDEA) solutions  

International Nuclear Information System (INIS)

A thermodynamic model was used to estimate enthalpy of solution of carbon dioxide (CO_2) in methyldiethanolamine (MDEA) aqueous solutions. The model was based on a set of equations for chemical equilibria, phase equilibria, charge, and mass balances. Non-ideality in the liquid phase was taken into account by interaction parameters fitted to (vapor + liquid) equilibrium data. The enthalpies of solution of CO_2 were derived from the model using classical thermodynamic relations and were compared to experimental values obtained in previous works.

2009-06-01

95

Conception and design of steam power plants  

International Nuclear Information System (INIS)

The manual presents the fundamentals of thermodynamics and fluid mechanics, the main components of steam power plants, and the power generation process. The following concepts and subjects are discussed at length: steam generator; steam turbines; turbogenerators; condensers; cooling technology; water/steam cycle and water treatment; design data of fossil-fuelled power plants; design and optimisation of nuclear power plant thermodynamics; pipelines and fittings; control systems in steam power plants; connection to the electricity grid and self-supply of thermal power plants; power plant transformer concepts and definitions. (HAG).

96

Strong-field quantum-electrodynamic processes in aligned crystals  

Energy Technology Data Exchange (ETDEWEB)

When a highly collimated beam of particles is aimed along the atomic rows of an aligned single crystal, the averaging effect of high speed motion results, to the lowest order of approximation, in crystal electric fields which are transverse to the atomic rows. The enormous magnitude of the crystal transverse electric fields is unsurpassed by any other known earth-bound macroscopic sources. For example, the field strengths along the <100> axis of tungsten at 77 K approach 9{center dot}10{sup 13}V/m. Thus quantum electrodynamic (QED) processes in strong fields which are thought to occur only in the extra-terrestrial environment can now be investigated in the laboratory. Here we review the results of measurements performed at the SPS facility in CERN using highly collimated beams of electrons, positrons and photons in the 20-200 GeV range, and germanium crystals cooled to 77 K with thicknesses ranging from 0.07 mm to 1.40 mm. The focus is on the simplest ...

1989-01-01

97

Models of continuous-variable quantum computing  

Energy Technology Data Exchange (ETDEWEB)

We discuss strictly efficient models for measurement-based quantum computing using physical continuous variables, such as field modes of light. Such measurement-based quantum computing (MBQC) provides a promising paradigm for quantum computation as it does not require performing unitary gates during the computation, but rather appropriate readout. Here, we introduce novel schemes for which the resource state can be reasonably and efficiently prepared, and which notably do not require having infinite squeezing or mean energy available. What is more, error correction techniques are implementable, as the logical information is stored in finite-dimensional objects grasping correlations of the quantum states. Using the ideas of computational tensor networks we discuss how to sequentially prepare suitable physical resource states with cavity QED or with non-linear optics and how to efficiently implement a computational universal set of quantum operations with feasible ...

2009-07-01

98

Family Gauge Symmetry as an Origin of Koide's Mass Formula and Charged Lepton Spectrum  

CERN Document Server

Koide's mass formula is an empirical relation among the charged lepton masses which holds with a striking precision. We present a model of charged lepton sector based on U(3)\\times SU(2) family gauge symmetry, which predicts Koide's formula within the present experimental accuracy. Radiative corrections as well as other corrections to Koide's mass formula are kept under control. We adopt a known mechanism, through which the charged lepton spectrum is determined by the vacuum expectation value of a 9-component scalar field \\Phi. On the basis of this mechanism, we implement the following mechanisms into our model: (1) The radiative correction induced by family gauge interaction cancels the QED radiative correction to Koide's mass formula, assuming a scenario in which the U(3) family gauge symmetry and SU(2)_L weak gauge symmetry are unified at 10^2-10^3 TeV scale; (2) A simple potential of \\Phi invariant under U(3)\\times SU(2) leads to a realistic charged lepton ...

2009-01-01

99

Corrections to quark asymmetries at LEP  

Energy Technology Data Exchange (ETDEWEB)

The most precise measurement of the weak mixing angle sin{sup 2} {theta}{sub eff}{sup l} at LEP is from the forward-backward asymmetry e{sup +}e{sup -} {yields} b{bar b} at the Z-pole. In this note the QED and electroweak radiative corrections to obtain the pole asymmetry from the measured asymmetry for b- and c-quarks have been calculated using ZFITTER, which has been amended to allow a consistent treatment of partial two-loop corrections for the b-quark final asymmetries. A total correction of {delta}A{sub FB}{sup b} = 0.0019 {+-} 0.0002 and {delta}A{sub FB}{sup c} = 0.0064 {+-} 0.0001 has been found, where the remaining theoretical uncertainty is much too small to explain the apparent discrepancy between sin{sup 2} {theta}{sub eff}{sup l} obtained from A{sub FB}{sup b} and from the left-right asymmetry at SLD.

2004-11-01

100

Complete electroweak matching for radiative B decays  

CERN Document Server

We compute the complete two-loop O(alpha) Wilson coefficients relevant for radiative decays of the B meson in the SM. This is a necessary step in the calculation of the O(alpha alpha_s^n ln^n m_b/M_W) corrections and improves on our previous analysis of electroweak effects in B -> X_s gamma. We describe in detail several interesting technical aspects of the calculation and include all dominant QED matrix elements. In our final result, we neglect only terms originated from the unknown O(alpha alpha_s) evolution of the Wilson coefficients and some suppressed two-loop matrix elements. Due to the compensation among different effects, we find that non-trivial electroweak corrections decrease the branching ratio by about 3.8% for a light Higgs boson, in agreement with our previous analysis. As in [1], the corresponding SM prediction for the branching ratio with E_gamma > 1.6 GeV is (3.60 +- 0.30) x 10^-4.

2001-01-01

101

Surface activity at the planar interface in relation to the thermodynamics of intermolecular interactions in the ternary system: maltodextrin-small-molecule surfactant-legumin.  

Science.gov (United States)

We report on the effect of potato maltodextrins with variable dextrose equivalent (Paselli SA-2, SA-6 and SA-10) on the surface behavior at the air-water interface of the mixture: legumin+small-molecule surfactant. Distinct in nature small-molecule surfactants (model: sodium salt of capric acid, Na-caprate; and commercially important: a citric acid ester of monoglyceride, CITREM) have been under our consideration. The role of the structure of both of the maltodextrins and the small-molecule surfactants in the effect studied has been elucidated by measurements in a bulk aqueous medium of the enthalpy of their interaction from mixing calorimetry, value of weight average molecular weight of the maltodextrins and the thermodynamics of the pair maltodextrin-solvent and maltodextrin-protein interactions from laser static light scattering. The combined data of mixing calorimetry and light scattering suggest some complex formation between the small-molecule surfactants and ...

2001-07-01

102

Thermodynamics, lattice stability and defect structure of strontium silicides via first-principles calculations  

International Nuclear Information System (INIS)

The thermodynamics of the Sr-Si system is of fundamental importance for the understanding of eutectic modification of Al-Si alloys. At the same time, strontium silicides have recently been found to have potential applications in electronic devices. Renewed research efforts have led to a re-evaluation of the phase equilibria in this system, resulting in the discovery of previously undetected stable intermetallic compounds. In this work, we investigate the finite temperature thermodynamic properties of the stable (and metastable) Sr-Si intermetallics. The vibrational properties of the intermetallic compounds are calculated within harmonic theory, with quasi-harmonic corrections to account for the effects of thermal expansion. The total free energies of the compounds are computed considering vibrational and electronic contributions, as well as weak anharmonic corrections. The ground state of the system is predicted and compared to previous ...

2009-09-18

103

Thermodynamic and kinetic aspects of surface acidity  

Science.gov (United States)

Our research in the general area of acid catalysis involves the characterization of solid acidity and the corresponding assessment of catalytic performance of acidic materials. Acid characterization studies are required to provide essential information about the type of acid site (i.e., Lewis versus Bronsted), the strength of the sites, and the mobility of molecules adsorbed on the acid sites. An accurate measure of acid strength is given by the heat of adsorption of a basic probe molecule on the acid site. A thermodynamic representation of the mobility of adsorbed species on these sites is given by the entropy of adsorption. Important techniques used in these acid site characterization studies include microcalorimetry, thermogravimetric measurements, temperature programmed desorption, infrared spectroscopy and solid state nuclear magnetic resonance. The combination of these acid site characterization studies with reaction kinetics measurements of selected ...

1992-01-01

104

The thermodynamic characteristics of retention of tricyclo[5.2.1.02,6]decane isomer molecules on different sorbents in gas chromatography  

Science.gov (United States)

The thermodynamic characteristics of sorption of the isomeric tricyclo[5.2.1.02.6]decane (tetrahydrodicyclopentadiene, TDCPD) molecules were for the first time determined experimentally and by molecular statistical methods under the conditions of gas-adsorption chromatography on graphitized thermal carbon black and gas-liquid chromatography on stationary liquid phases of different polarities (Apiezon L and Carbowax 20M). The effects of the chemical nature of sorbents on the retention of the TDCPD isomers are considered. A procedure for calculating the thermodynamic characteristics of adsorption of molecules with a complex structure is suggested within the framework of the atom-atom approximation of the semiempirical molecular statistical theory of adsorption for the example of isostructural norbornane molecules. The procedure involves simultaneous variation of geometric parameters and refinement of the parameters that determine the special ...

2008-07-01

105

Study on biosorption kinetics and thermodynamics of uranium by Citrobacter freudii  

Energy Technology Data Exchange (ETDEWEB)

Biosorption has been developed as an effective and economic method to treat wastewater containing low concentrations of metal pollutants. In this study, a bacterium, Citrobacter freudii, was used as a biosorbent to adsorb uranium ions. The thermodynamics and kinetics of this adsorption, as well as its mechanism, were investigated. The results indicated that the biosorption rate could be better described by a pseudo 2nd-order model than a pseudo 1st-order model. The adsorption of U (VI) proceeded very rapidly in the first 30 min and subsequently slowed down continuously for a long period. The biosorption isotherm of uranium by C. freudii could be described well by the Langmuir or Freundlich isotherm, and the latter was better. The thermodynamics parameters, {delta}H{sup o}, {delta}G{sup o}, and {delta}S{sup o} were calculated according to the results of the experiment, which showed this biosorption as being endothermic and spontaneous. The ...

2008-01-15

106

Modeling and field studies of radon-222 in geothermal reservoirs  

Science.gov (United States)

Radon-222 was shown to be useful in-situ tracer for studying thermodynamic, geologic, and transport properties of geothermal reservoirs. The relationships to reservoir properties are based on steady-state and non-steady-state models which incorporate the thermodynamic state and relative mobility of the fluids, and partitioning between the fluid phases. The steady-state thermodynamic models assume equilibrium between radon emanation from the reservoir rock and the geofluid concentration. The non-steady-state model solves the partial differential equations describing radon transport under transient two-phase geothermal flow conditions. Radon concentrations of fluids from nine geothermal reservoirs showed strong correlations to the specific volume of the reservoir fluid. Lowest values were associated with all-liquid wells at Cerro Prieto, Wairakei, and Los Azufres reservoirs, and the highest values for steady-producing wells ...

1986-01-01

107

Evaluation of static thermodynamic properties of the ternary molten salt system Li,Na,Be/F, based on the modified Peng-Robinson equation  

International Nuclear Information System (INIS)

The static thermodynamic properties of the molten salt system like LiF-NaF-BeF_2 influence the design and construction of the fuel salt and coolant in the Molten Salt Reactor for the new generation. In this paper, the equation of state of the ternary system 15%LiF-58%NaF-27%BeF_2, over the temperature range of 873.15K to 1073.15K at one atmosphere pressure, is described using Peng-Robinson equation modified by us. And the density of the ternary system is evaluated by this equation directly, and compared with the experimental data. Base on the equation of state, the other static thermodynamic properties such as the enthalpy, entropy and heat capacity at constant pressure are estimated by the residual function method and the fugacity coefficient method respectively. The density calculated by Peng-Robinson equation is in highly agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated by such two different methods ...

2007-04-22

108

Cogeneration in air separation cryogenic plants; Cogeracao em plantas criogenicas de separacao de ar  

Energy Technology Data Exchange (ETDEWEB)

A thermal and economic study, carried on by using the first and second law of thermodynamics concepts demonstrated the economic feasibility of the cogeneration system, and proposed modifications to be done in the studied cryogenic plant, a typical T-240 NA MPL3 plant. The thermodynamic analysis showed that the second law efficiency of the processes could be improved, together with a 12% electric energy consumption reduction. Four cogeneration schemes were analyzed with both the first and second laws of thermodynamics and, then, the economic analysis was performed. Rankine, Brayton, Otto and Combined gas-steam basic cycles were used in this analysis.The combined gas-steam cycle was shown to be more economically feasible than others. Thermal and electric loads were well balanced, resulting in a higher second law efficiency. Although the initial investment for the modification was higher, the savings resulted to be higher, ...

2000-07-01

109

Biosorption of cadmium(II), zinc(II) and lead(II) by Penicillium simplicissimum: Isotherms, kinetics and thermodynamics  

Energy Technology Data Exchange (ETDEWEB)

The isotherms, kinetics and thermodynamics of Cd(II), Zn(II) and Pb(II) biosorption by Penicillium simplicissimum were investigated in a batch system. The effects of pH, initial metal ions concentration, biomass dose, contact time, temperature and co-ions on the biosorption were studied. Adsorption data were well described by both the Redlich-Peterson and Langmuir model. Chemical ion-exchange was found to be an important process based on free energy value from Dubini-Radushkevich isotherm for all metal ions. The results of the kinetic studies of all metal ions at different temperature showed that the rate of adsorption followed the pseudo second-order kinetics well. The thermodynamics constants {delta}G{sup o}, {delta}H{sup o} and {delta}S{sup o} of the adsorption process showed that biosorption of Cd(II), Zn(II) and Pb(II) ions on Penicillium simplicissimum were endothermic and spontaneous.

2008-12-30

110

Avoidable thermodynamic inefficiencies and costs in an externally fired combined cycle power plant  

Energy Technology Data Exchange (ETDEWEB)

The real thermodynamic inefficiencies in a thermal system are related to exergy destruction and exergy loss. An exergy analysis identifies the system components with the highest exergy destruction and the processes that cause them. However, only a part of the exergy destruction in a component can be avoided. A minimum exergy destruction rate for each system component is imposed by physical, technological, and economic constraints. The difference between the total and the unavoidable exergy destruction rate represents the avoidable exergy destruction rate, which provides a realistic measure of the potential for improving the thermodynamic efficiency of a component. The calculation of avoidable cost rates associated with both exergy destruction and capital investment is described in the paper and is applied to the exergoeconomic evaluation of an externally fired combined cycle power plant. For each plant component, avoidable and unavoidable ...

2006-08-15

111

Atomistic computer simulations of FePt nanoparticles. Thermodynamic and kinetic properties  

Energy Technology Data Exchange (ETDEWEB)

In the present dissertation, a hierarchical multiscale approach for modeling FePt nanoparticles by atomistic computer simulations is developed. By describing the interatomic interactions on different levels of sophistication, various time and length scales can be accessed. Methods range from static quantum-mechanic total-energy calculations of small periodic systems to simulations of whole particles over an extended time by using simple lattice Hamiltonians. By employing these methods, the energetic and thermodynamic stability of non-crystalline multiply twinned FePt nanoparticles is investigated. Subsequently, the thermodynamics of the order-disorder transition in FePt nanoparticles is analyzed, including the influence of particle size, composition and modified surface energies by different chemical surroundings. In order to identify processes that reduce or enhance the rate of transformation from the disordered to the ordered state, the ...

2007-12-20

112

A thermodynamic analysis of alternative approaches to chemical looping combustion  

Energy Technology Data Exchange (ETDEWEB)

In this article, we review and clarify some of the points made by previous authors regarding chemical looping combustion (CLC). While much of the recent interest in chemical looping combustion has been associated with carbon sequestration, our primary interest here is its potential to increase the thermodynamic efficiency of converting fuel chemical energy into useful work. We expand on several points about the details of CLC that we feel have not previously been sufficiently explored, and suggest alternative (and possibly more practical) approaches that exploit some of the same thermodynamic concepts. We illustrate our key points with {First} and {Second} Law analyses of ideal conceptual processes, which in addition to {CLC} also include isothermal, non-equilibrium, preheated combustion and combustion with thermochemical recuperation. Our results suggest that a significant portion of the potential efficiency benefit of CLC might be achieved ...

2011-01-01

113

The effect of temperature on the grain growth of nanocrystalline metals and its simulation by molecular dynamics method  

British Library Electronic Table of Contents (United Kingdom)

In this study, the thermodynamic stability of the grain boundaries and the grain growth of nanocrystalline Palladium (Pd) at various temperatures were investigated. For this purpose, the Gibbs free energy curves of grain boundaries were plotted in terms of the excess volume by the use of the equation of state (EOS) and Song's thermodynamic models. The results showed that, according to the prediction of these models, the nanocrystalline growth in metals was stopped at the grain sizes less than the critical grain size. Also, the results of the temperature variations and its effect on the Gibbs free energy curves showed that by the increase of the temperature, the possibility for the stoppage of grain growth is facilitated and the critical grain size is increased. To investigate the validity ...

2012-01-01

114

Teaching elementary thermodynamics and energy conversion: Opinions  

British Library Electronic Table of Contents (United Kingdom)

This presentation deals with innovation in teaching and understanding of thermodynamic principles. Key features of the approach being advocated are: (a) postulation of the existence of entropy, (b) explicitly associating energy transfers with other transports, (c) stating the 2nd Law in terms of Gibbs' available-energy, (d) systematic use of software such as EES. The paper outlines and elaborates upon an introductory course. Major headings in the course are: basic concepts: properties, additive properties and balances, primitive properties, energy, 1st Law. entropy, elementary academic applications of balances, available-energy, second law, exergy, thermostatic property relations, EES. Applications to processes, fluid flow, Heat transfer, thermochemical. Applications to devices, single-pro...

2010-01-01

115

Rigorous and General Definition of Thermodynamic Entropy  

CERN Document Server

The physical foundations of a variety of emerging technologies --- ranging from the applications of quantum entanglement in quantum information to the applications of nonequilibrium bulk and interface phenomena in microfluidics, biology, materials science, energy engineering, etc. --- require understanding thermodynamic entropy beyond the equilibrium realm of its traditional definition. This paper presents a rigorous logical scheme that provides a generalized definition of entropy free of the usual unnecessary assumptions which constrain the theory to the equilibrium domain. The scheme is based on carefully worded operative definitions for all the fundamental concepts employed, including those of system, property, state, isolated system, environment, process, separable system, system uncorrelated from its environment, and parameters of a system. The treatment considers also systems with movable internal walls and/or semipermeable walls, with chemical reactions ...

2010-01-01

116

Properties of molecular solids and fluids at high pressure and temperatures  

Energy Technology Data Exchange (ETDEWEB)

This renewal request for DOE grant DE-FG02-86ER45238, is dedicated to providing a complete thermodynamic profile of solids fluids, and fluid mixtures, over a wide range of temperatures and pressures. We are partially motivated by technological interest in detonation, combustion, superhard high pressure materials, and high temperature superconductors, which are important components of interest of various DOE laboratories. Our work on fluids and solids, composed of simple molecules, involves the determination of structures, phase transitions, pressure-volume relations, phonon, vibron, and libron modes of excitation, sound velocities, specific heats, thermal expansion, virial coefficients, sublimation energies, and orientational translational, and magnetic correlations. We hope that the study of these systems under extreme thermodynamic conditions will lead to exotic new materials of value, as well as enhanced fundamental understanding.

1992-03-01

117

Predicting the proton conductivity of perfluorosulfonic acid membrane via combining statistical thermodynamics and molecular dynamics simulation  

British Library Electronic Table of Contents (United Kingdom)

Abstract The electrochemical properties of a perfluorosulfonic acid (PFSA) membrane are estimated using a combination of molecular dynamics simulation and statistical thermodynamic model. We obtain all parameters in an ionic conductivity model from an atomistic simulation and remove all adjusted model parameters. From a microscopic point of view, the hydrated PFSA membrane shows micro-phase segregation which separated into hydrophilic and hydrophobic phases. Our present work originates with this phenomenon and we treat this phase segregation as if it is a continuous phase for each of which the proton (H+) is transported inside the PFSA membrane/solvent (water and alcohols) mixture. The chemical potential for a given system is estimated using a molecular simulation technique to predict the ...

2011-01-01

118

Molecular statistical calculation of thermodynamic characteristics of adsorption of O-, S-, and Se-containing heteroadamantanes on graphitized thermal carbon black  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption (TCA) on the basal face of graphite have been calculated in terms of the semiempirical molecular statistical theory of adsorption for molecules of O-, S-, and Se-containing heteroadamantanes of different structure and isostructural cyclohexane derivatives. The influence of the nature, number, and position of heteroatoms in the adamantane framework on the TCA values was studied in detail, which made it possible to predict the retention of the compounds considered on the surface of graphitized thermal carbon black under the conditions of equilibrium gas adsorption chromatography. The introduction of each subsequent heteroatom into a polyheteroadamantane molecule makes a non-additive contribution to the TCA values. The contributions of various f...

2010-01-01

119

First and second law analysis of diesel engine powered cogeneration systems  

International Nuclear Information System (INIS)

In this article, the thermodynamic analysis of the existing diesel engine cogeneration system is performed. All necessary data are obtained from the actual diesel engine cogeneration plant located at Gaziantep, Turkey. The exergy analysis is aimed to evaluate the exergy destruction in each component as well as the exergetic efficiencies. The thermodynamic performance of a 25.32 MW electricity and 8.1 tons/h steam capacity diesel engine cogeneration system at full load conditions is analyzed. The thermal efficiency of the overall plant is found to be 44.2% and the exergetic efficiency is 40.7%. The exergy balance equations developed in this paper may also be utilized in the exergoeconomic analysis to estimate the production costs depending on various input costs in a diesel cogeneration system.

2008-08-01

120

First and second law analysis of diesel engine powered cogeneration systems  

British Library Electronic Table of Contents (United Kingdom)

In this article, the thermodynamic analysis of the existing diesel engine cogeneration system is performed. All necessary data are obtained from the actual diesel engine cogeneration plant located at Gaziantep, Turkey. The exergy analysis is aimed to evaluate the exergy destruction in each component as well as the exergetic efficiencies. The thermodynamic performance of a 25.32MW electricity and 8.1tons/h steam capacity diesel engine cogeneration system at full load conditions is analyzed. The thermal efficiency of the overall plant is found to be 44.2% and the exergetic efficiency is 40.7%. The exergy balance equations developed in this paper may also be utilized in the exergoeconomic analysis to estimate the production costs depending on various input costs in a diesel cogeneration syste...

2008-01-01

121

Experimental and theoretical investigation of amino acids dimers and associates adsorption on carbon surface  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption (the Henry constant, the heat and entropy of adsorption) of amino acids associates with acetic, trifluoroacetic, nonafluoropentanoic acids and formamide with different values of hydrogen bond lengths and various conformations on a graphitized thermal carbon black (GTCB) were calculated. The experimental results, as the Henry constant, lnK1, and the differences in the molar Gibbs energies, d(DG), obtained by a high performance liquid chromatography (HPLC) on a carbon sorbent Hypercarb, were compared with the values of thermodynamic characteristics of adsorption of the amino acids on the GTCB surface calculated by a molecular-statistical method. A satisfactory correlation was observed between the experimental and calculated values with a coeffi...

2011-01-01

122

Effects of molecular mobility on high resolution solid state NMR spectra: model systems  

Energy Technology Data Exchange (ETDEWEB)

It is the intention of this paper to point to some of the problems due to molecular motion and to suggest a few solutions to those problems. A few examples will be presented of model systems which demonstrate the effects of motion on the NMR spectroscopy and a very qualitative example of severe spectral distortion in fulvic acids will be shown. In the following discussions we will use concepts derived from the oft repeated thermodynamic picture shown in figure 1. When dealing with a homogeneous, pure compound this picture is sufficient but in a heterogeneous mixture, it is likely that there will be different compounds and different domains all with slightly different versions of figure 1 with poor thermodynamic contact between them. Thus optimal conditions for cross polarization in one domain may be totally inappropriate for another. 59 refs., 10 figs.

1986-01-01

123

Turbo expanders for separation of gas mixtures by partial condensation  

International Nuclear Information System (INIS)

Thermodynamic consideration and process calculations at equilibrium conditions showed that processes for separating gas mixtures by partial condensation at low temperatures using turboexpanders have got less energy losses than processes with quasi isobar partial condensation. Compared to the low-pressure parts of condensing steam turbines in turboexpanders less erosion problems are to expected for such separating processes. Separation of liquid in the machine, however, is more difficult withouf additional measures. (orig.).

124

Thermodynamic model of the gas and steam process with combined heat and power process; Thermodynamisches Modell des GuD-Prozesses mit Kraft-Waerme-Kopplung  

Energy Technology Data Exchange (ETDEWEB)

A whole sequence of the parameters of the combined heat and power system (KWK) is described which enables a comparison between the electricity and heat demand of a consumer and the energy availability through a combined heat and power system. Proceeding from this, a thermodynamic model of a steam and gas process with combined heat and power is introduced which is based on an exergetic balancing of the subsystems of the process. In this way, the varying thermodynamic quality of the energy flows occuring in the process will be taken into consideration so that the results of the model correspond in any case with the second law of thermodynamics. (orig.) [Deutsch] Es wird ein vollstaendiger Satz von Kenngroessen der Kraft-Waerme-Kopplung (KWK) beschrieben, mit dessen Hilfe der Strom- und Waermebedarf eines Verbrauchers mit der Energiebereitstellung durch eine KWK-Anlage verglichen werden kann. Darauf aufbauend wird ein ...

1996-03-01

125

Thermodynamic calculations for Otto cycle engines using methanol as a fuel  

Energy Technology Data Exchange (ETDEWEB)

Equations are derived to permit calculation of the work required for the isentropic compression of a two phase fuel-air mixture. Methanol evaporation during compression is shown to substantially reduce compression work and thereby improve cycle efficiency and maximum power. Effects of evaporative cooling in the intake manifold are calculated. 14 refs.

1981-01-01

126

Thermodynamic calculations for Otto cycle engines using methanol as a fuel  

Energy Technology Data Exchange (ETDEWEB)

Equations are derived to calculate the work required for the isentropic compression of a 2-phase fuel-air mixture. Methanol evaporation during compression substantially reduces compression work and improves cycle efficiency and maximum power. Effects of evaporative cooling in the intake manifold are calculated. Energy d. of methanol and gasoline fuel-air charges are compared. The phase equilibrium and evaporation rate are causes of the poor cold-starting performance of methanol.

1981-01-01

127

Thermodynamic assessment of actinide-Cd or Bi systems  

Energy Technology Data Exchange (ETDEWEB)

The Gibbs energy of mixing in liquid phase and the Gibbs energy of formation of various compounds in a binary Pu-Cd system were re-optimized by applying both recent and earlier experimental data. Those of the binary Pu-Bi and U-Bi systems were newly optimized. The results were summarized in a database and applied to the preliminary prediction of multi-solute systems in liquid Cd or Bi solvent. (author)

2002-11-01

128

Thermodynamic and thermoeconomic analyses of a trigeneration (TRIGEN) system with a gas-diesel engine: Part II - An application  

Energy Technology Data Exchange (ETDEWEB)

The paper is Part 2 of the study on the thermodynamic and thermoeconomic analyses of trigeneration system with a gas-diesel engine. In Part 1, thermodynamic and thermoeconomic methodologies for such a comprehensive analysis were provided, while this paper applies the developed methodology to an actual TRIGEN system with a rated output of 6.5 MW gas-diesel engine installed in the Eskisehir Industry Estate Zone, Turkey. Energy and exergy efficiencies, equivalent electrical efficiency, the Public Utility Regulatory Policies Act (PURPA) efficiency, fuel energy saving ratio, fuel exergy saving ratio and other thermodynamic performance parameters are determined for the TRIGEN system. The efficiencies of energy, exergy, PURPA and equivalent electrical efficiency of the entire system are found to be 58.97%, 36.13%, 45.7% and 48.53%, respectively. For the whole system and its components, exergetic cost allocations and various ...

2010-11-15

129

Thermodynamic and thermoeconomic analyses of a trigeneration (TRIGEN) system with a gas-diesel engine: Part II - An application  

International Nuclear Information System (INIS)

The paper is Part 2 of the study on the thermodynamic and thermoeconomic analyses of trigeneration system with a gas-diesel engine. In Part 1, thermodynamic and thermoeconomic methodologies for such a comprehensive analysis were provided, while this paper applies the developed methodology to an actual TRIGEN system with a rated output of 6.5 MW gas-diesel engine installed in the Eskisehir Industry Estate Zone, Turkey. Energy and exergy efficiencies, equivalent electrical efficiency, the Public Utility Regulatory Policies Act (PURPA) efficiency, fuel energy saving ratio, fuel exergy saving ratio and other thermodynamic performance parameters are determined for the TRIGEN system. The efficiencies of energy, exergy, PURPA and equivalent electrical efficiency of the entire system are found to be 58.97%, 36.13%, 45.7% and 48.53%, respectively. For the whole system and its components, exergetic cost allocations and various ...

2010-11-01

130

Thermo-hydraulic design of Chinese helium cooled solid breeder blanket for ITER-TBM  

International Nuclear Information System (INIS)

To further optimize thermo-hydraulic capability of HCSB-TBM, two different thermo-hydraulic schemes would be proposed and investigated by relevant calculating and simulating of thermo-dynamics in normal and peak heat flux condition. With computational fluid dynamics (CFD) code FLUENT, the actual temperature distribution of key components of HCSB-TBM is simulated. (authors)

2009-06-01

131

The influence of intramolecular H-bond on chromatographic behavior of phenylalkylamines  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

2009-01-01

132

The influence of intramolecular H-bond on chromatographic behavior of phenylalkylamines  

Science.gov (United States)

The thermodynamic characteristics of adsorption on the surface of graphitized thermal carbon black at 300 K were determined by the molecular statistical method for three phenylalklylamines. The influence of the intramolecular H-bond on the conformation of the molecules compared with structurally related n-alkyl-benzenes was considered. It was shown that the conformations of the molecules could influence chromatographic retention. Conformational isomers stabilized by intramolecular H-bonds were found to retain their structure in adsorption on graphitized thermal carbon black.

2009-04-01

133

The influence of an intramolecular H-bond on the adsorption of sulfur-containing amino acids on graphitized thermal carbon black  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.

2009-01-01

134

The influence of an intramolecular H-bond on the adsorption of sulfur-containing amino acids on graphitized thermal carbon black  

Science.gov (United States)

The thermodynamic characteristics of adsorption of sulfur-containing amino acids and their derivatives on the surface of graphitized thermal carbon black were calculated by the molecular statistical method. The parameters of the atom-atom potential function of intermolecular interaction between the S atom in amino acids and the graphite C atom were determined. It was shown that an intramolecular H-bond influenced the adsorption of amino acids on the surface of graphitized thermal carbon black.

2009-04-01

135

Tap cogen-plant steam for process, NO[sub x] control  

Energy Technology Data Exchange (ETDEWEB)

This article describes the Monsanto's Indian Orchard plant gas-fired, combined-cycle cogeneration facility in Springfield, Massachusetts. The topics of the article include project configuration, the thermodynamic cycle, fuel selection, electrical distribution system, plant control, and air pollution control of NO[sub X], SO[sub 2], CO, particulates, non-methane hydrocarbons, opacity and ammonia.

1993-04-01

136

Study of complexing reactions and ligand exchange of zirconium and hafnium tetrachlorides with substituted derivative of O-naphthoquinonediazide  

Energy Technology Data Exchange (ETDEWEB)

Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl/sub 4/xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.

1981-11-01

137

Study of complexing reactions and ligand exchange of zirconium and hafnium tetrachlorides with substituted derivative of O-naphthoquinonediazide  

International Nuclear Information System (INIS)

Using the PMR method the interaction of zirconium and hafnium tetrachlorides with tri.tet.butylphenyl ester of 1,2- naphthoquinonediazide (2)-5-sulfonic acid is studied. The formation of MCl_4xNQD complexes is established, the equilibrium constants and thermodynamic parameters of complexing reaction are determined. The presence of rapid ligand exchange, proceeding according to associative mechanism, is detected. The rate constants and activation energies of the exchange reaction are calculated.

138

Statistical mechanics and thermodynamics for tachyons  

International Nuclear Information System (INIS)

Momentum- and speed-dependent Maxwell-Boltzmann equilibrium distributions have been derived for tachyons and compared with the corresponding relativistic distributions. This is followed by a calculation of the mean, most probable and r.m.s. speeds for both the relativistic and tachyonic distributions. The ideal gas of tachyons is discussed, including calculations of the internal energy and entropy. In each case a comparison is made with the corresponding bradyonic results. It is found that tachyons behave just like bradyons in the high-temperature limit, but have markedly different behaviour at low temperatures.

139

Reactive metal brazing of aluminum nitride  

Energy Technology Data Exchange (ETDEWEB)

The addition of titanium to eutectic braze compositions causes these alloys to readily wet and bond to A1N ceramics. Electron microscopic characterizations of the metal-ceramic interfaces reveal the presence of TiN, along with other Ti- and Al-containing phases. The formation of such interfacial reaction products is an additional thermodynamic driving force for the creation of useful metal-ceramic bonds. 12 refs., 4 figs., 1 tab.

1990-01-01

140

Quantum Afterburner Improving the Efficiency of an Ideal Heat Engine  

CERN Document Server

By using a laser and maser in tandem, it is possible to obtain laser action in the hot exhaust gases involved in heat engine operation. Such a "quantum afterburner" involves the internal quantum states of working gas atoms or molecules as well as the techniques of cavity quantum electrodynamics and is therefore in the domain of quantum thermodynamics. As an example, it is shown that Otto cycle engine performance can be improved beyond that of the "ideal" Otto heat engine.

2002-01-01

141

Propulsion by tachyon beams  

Energy Technology Data Exchange (ETDEWEB)

A possibility of generating collimated beams of faster-than-light particles (tachyons) and using them for rocket propulsion is explored. The relativistic rocket equations are derived, and are solved for a single-stage rocket with constant mass flow rate, constant exhaust velocity and no coasting period. The features of these solutions for faster-than-light exhaust velocities are discussed. It is shown that a tachyon drive would not violate the first law of thermodynamics. However, as seen in the Galactic frame, it would violate the second law.

1989-07-01

142

Molecular statistical calculations of the adsorption of proline and its hydroxy derivatives on graphitized thermal carbon black  

British Library Electronic Table of Contents (United Kingdom)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

2009-01-01

143

Molecular statistical calculations of the adsorption of proline and its hydroxy derivatives on graphitized thermal carbon black  

Science.gov (United States)

The thermodynamic characteristics of adsorption of proline and its hydroxy derivatives on the surface of graphitized thermal carbon black (GTCB) were calculated. The arrangement of hydroxyl groups in the amino acid molecule was shown to influence their adsorption on GTCB. The influence of internal rotation angles in proline and its hydroxy derivative molecules on their adsorption on GTCB was studied.

2009-04-01

144

Mo"5 and W"5 complexing with tri-tret-butyl phenyl ether of 1.2-naphthoquinonediazide-(2)-5-sulfochloride  

International Nuclear Information System (INIS)

The complexing of paramagnetic salts of molybdenum and tungsten with tri-tert-butylphenyl ester of 1,2-naphthoquinone-diazide-(2)-5-sulfochloride is studied by PMR and EPR methods. From the changes of half-widths of lines in PMR spectra and analysis of g-factor in EPR spectra, the kinetic and thermodynamic parameters of the complexing are determined, and the composition of the complexes formed is established, and the schemes of their formation are suggested.

145

Merged Sounding Value-Added Product  

Energy Technology Data Exchange (ETDEWEB)

The Merged Sounding value-added product (VAP) uses a combination of observations from radiosonde soundings, the microwave radiometer (MWR), surface meteorological instruments, and European Centre for Medium-Range Weather Forecasts (ECMWF) model output with a sophisticated scaling/interpolation/smoothing scheme in order to define profiles of the atmospheric thermodynamic state at one-minute temporal intervals and a total of 266 altitude levels.

2010-03-03

146

Lattice parameters and thermal expansion of solid ortho-deuterium  

Energy Technology Data Exchange (ETDEWEB)

X-ray results on the lattice parameters, molar volume and thermal expansion coefficients of solid ortho-deuterium for the region from 2 K to the melting point are reported. It is found that the thermal expansion of ortho-deuterium crystals, similarly to parahydrogen is essentially anisotropic near the melting temperature. The vacancy density at the triple point is estimated. Some thermodynamic characteristics of ortho-deuterium are calculated and temperature dependences of heat capacity at constant volume, isothermal compressibility and Gruneisen constant are analyzed.

1984-01-01

147

Kinetic and thermodynamic studies of the biosorption of Cr(VI) by Pinus sylvestris Linn  

Energy Technology Data Exchange (ETDEWEB)

Biosorption equilibrium, kinetics and thermodynamics of chromium(VI) ions onto cone biomass were studied in a batch system with respect to temperature and initial metal ion concentration. The biosorption efficiency of chromium ions to the cone biomass decreased as the initial concentration of metal ions was increased. But cone biomass of Pinus sylvestris Linn. exhibited the highest Cr(VI) uptake capacity at 45 {sup o}C. The biosorption efficiency increased from 67% to 84% with an increase in temperature from 25 to 45 deg. C at an initial Cr(VI) concentration of 300 mg/L. The Langmuir isotherm model was applied to experimental equilibrium data of Cr(VI) biosorption depending on temperature. According to Langmuir isotherm, the monolayer saturation capacity (Q{sub max}) is 238.10 mg/g. The pseudo-first-order and pseudo-second-order kinetic models were applied to test the experimental data for initial Cr(VI). The pseudo-second-order kinetic model provided the best ...

2008-05-01

148

Investigation of dissolution kinetics of tungsten minerals in hydrochloric acid solutions of citric acid  

Energy Technology Data Exchange (ETDEWEB)

Thermodynamic analysis of dissolution processes of tungsten minerals in citric acid solutions in the absence and in the presence of hydrochloric acid has been carried out by means of calculation of Gibbs energy of the chemical reactions. Kinetic characteristics, such as specific dissolution rates and activation energies, are determined. It is established that the dissolution reactions studied take place in kinetic region. A possibility of scheelite selective dissolution in the presence of other tungsten minerals is shown.

1985-03-01

149

Flow control with variable inflow as an alternative to conventional nozzle group control - automatic control of large capacity steam turbines  

International Nuclear Information System (INIS)

In the case of large capacity steam turbines the conventional nozzle group control is, for mechanical and thermodynamic reasons, diminishing more and more in importance in favour of variable pressure control. A design for constant-pressure operation as an alternative to nozzle group control is described; this demonstrates a series of important advantages compared with the latter. (orig.).

150

Evolution of the chromospheres and winds of low- and intermediate-mass giant stars  

International Nuclear Information System (INIS)

Results are presented of an empirical analysis of the global thermodynamical requirements of the winds in the outer atmospheres of a representative sample of red giant stars of low- and intermediate-mass range. Results indicate that the mass-loss rates in these stars are not strongly dependent on the actual physical processes driving the winds. It is suggested that nonlinear processes act to regulate wind energy fluxes. Possible mechanisms responsible for the chromospheric heating and the mass loss in the low- and intermediate-mass giant stars are discussed. 151 refs.

151

Equilibrium, kinetic and thermodynamic study of the biosorption of uranium onto Cystoseria indica algae  

Energy Technology Data Exchange (ETDEWEB)

Biosorption equilibrium, kinetics and thermodynamics of binding of uranium ions to Cystoseria indica were studied in a batch system with respect to temperature and initial metal ion concentration. Algae biomass exhibited the highest uranium uptake capacity at 15 deg. C at an initial uranium ion concentration of 500 mg l{sup -1} and an initial pH of 4. Biosorption capacity increased from 198 to 233 mg g{sup -1} with an decrease in temperature from 45 to 15 deg. C at this initial uranium concentration. The Langmuir isotherm model were applied to experimental equilibrium data of uranium biosorption depending on temperature. Equilibrium data fitted very well to the Langmuir model C. indica algae in the studied concentration range of Uranium ions at all the temperatures studied. The saturation type kinetic model was applied to experimental data at different temperatures changing from 15 to 45 deg. C to describe the batch biosorption kinetics assuming that the external ...

2008-02-11

152

Contribution of first-principles energetics to the Ca-Mg thermodynamic modeling  

International Nuclear Information System (INIS)

The first-principles energetics of the constituent elements Ca and Mg and the Mg_2Ca C14 laves phase (C14) in the Ca-Mg binary system were used in the computational thermodynamic modeling, with models for the Gibbs energy of individual phases. C14 was modeled as (Ca,Mg)_2(Ca,Mg)_1 with four end-members. The first-principles calculations were performed using two computer codes: (i) WIEN2K based on the full-potential linearized augmented plane-wave (FLAPW) method and (ii) VASP based on the pseudo-potentials and a plane wave basis set. The total energies of the pure Ca and Mg in the fcc, bcc, and hcp structures, three laves phase structures of Mg_2Ca, and the four end-members of C14 were calculated at 0 K. The enthalpies of formation of the four end-members were obtained accordingly and used as input data in evaluating the Gibbs energy functions of C14. The entropy contribution in the Gibbs energy function for C14 was obtained through its liquidus data. Special ...

2006-08-31

153

Chemical thermodynamics of silica: a critique on its geothermometer  

Energy Technology Data Exchange (ETDEWEB)

The chemical thermodynamic concepts used in the calculation of solubility data of silica (quartz) are presented taking into account the PVT characteristics of water. The temperature-dependence trends between the thermodynamically calculated and the experimental quartz solubility data are very similar, but the values are widely different at high temperatures. The experimental solubility, especially along the saturation curve at high temperature and thermodynamic data for silica need to be reevaluated in order to use silica chemistry to understand geological processes. There could exist a wide range of values for silica solubility at a specified temperature, depending upon the amount of water in the reaction vessel. Thus the silica contents in geothermal fluid, in general, cannot be used as a geothermometer to estimate the reservoir temperature. The derivation of a silica geothermometer needs an extra assumption about the ...

2000-06-01

154

Buffer Standards for the Biochemical pH of 3-(N-morpholino)-2-hydroxypropanesulfonic Acid from (278.15 to 328.15) K  

UK PubMed Central (United Kingdom)

The values of the second dissociation constant pK2 and related thermodynamic quantities of the ampholyte 3-(N-morpholino)-2-hydroxypropanesulfonic acid (MOPSO) have...Full Text Available

2009-06-11

155

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

Energy Technology Data Exchange (ETDEWEB)

A dual-boiling isobutane cycle was selected for the present 5-megawatt (5MW) Raft River Pilot Plant to utilize the lower-temperature geothermal resources (near 300F). This study represents a second effort directed toward the design of an improved binary geothermal electric plant suitable for utilization of the lower temperature resources. 7 refs.

1981-08-01

156

Activated charcoal. October 1976-August 1989 (Citations from the COMPENDEX data base). Report for October 1976-August 1989  

Energy Technology Data Exchange (ETDEWEB)

This bibliography contains citations concerning theoretical aspects and industrial applications of activated charcoal. Topics include absorption capacity and mechanism studies, kinetic and thermodynamic aspects, and properties descriptions and evaluations. Applications include utilzation in water analyses and waste treatment, air pollution control and measurement, and in nuclear facilities. (This updated bibliography contains 160 citations, 14 of which are new entries to the previous edition.)

1989-10-01

157

Activated charcoal. January 1970-October 1988 (Citations from the Compendex data base). Report for January 1970-October 1988  

Energy Technology Data Exchange (ETDEWEB)

This bibliography contains citations concerning theoretical aspects and industrial applications of activated charcoal. Topics include absorption capacity and mechanism studies, kinetic and thermodynamic aspects, and properties descriptions and evaluations. Applications include utilization in water analyses and waste treatment, air pollution control and measurement, and in nuclear facilities. (This updated bibliography contains 150 citations, 14 of which are new entries to the previous edition.)

1988-11-01

158

Thermodynamic properties of dicarbonyl rhodium o-semiquinonate complex whose crystals display photomechanical properties  

Energy Technology Data Exchange (ETDEWEB)

In an adiabatic low-pressure calorimeter, the temperature dependence of the standard molar heat capacity of paramagnetic dicarbonyl rhodium complex with o-semiquinone (CO){sub 2}Rh(SQ) has been determined in the range from T=(6 to 355)K mainly with an accuracy of about 0.3%. Over the ranges from T=(205 to 234) K, T=(266 to 315)K and T=(316 to 345)K physical transformations have been revealed and their enthalpies and entropies have been estimated. The experimental data were used to calculate the thermodynamic functions C{sub p,m}{sup o}/R,{delta}{sub 0}{sup T}H{sub m}{sup o}/(R.K),{delta}{sub 0}{sup T}S{sub m}{sup o}/R and {phi}{sub m}{sup o}={delta}{sub 0}{sup T}S{sub m}{sup o}-{delta}{sub 0}{sup T}H{sub m}{sup o}/T (where R is the universal gas constant) between T=(0 and 355)K. The fractal dimension D in the heat capacity function of the fractal variant of Debye heat capacity theory has been evaluated.

2006-06-15

159

Thermodynamic prediction of distribution coefficients for the solvent extraction of the rare earth metals  

International Nuclear Information System (INIS)

A thermodynamic model for predicting the distribution coefficients has been developed by taking into account the extraction mechanism and the chloride complexation when Sm, Eu, Gd, Tb, Dy and Ho for single component systems are extracted from acidic chloride solutions by di-2-ethylhexyl ester in kerosene, respectively. The model equation includes two constants, of which one corresponds to the apparent extraction equilibrium constant and the other is due to the variation of the activity coefficients of organic species. These values are determined from a few experimental data by the curve fitting method. Then, the distribution coefficients under untried calculations, Bromley's formulation is used to estimate the activity coefficients of aqueous species and the interaction parameters for some rare earth chlorides are reported in terms of morality and molarity using data from Spedding et al. According to the authors the validity of this method has been confirmed by ...

160

Thermodynamic and transport properties of thoria-urania fuel of Advanced Heavy Water Reactor  

International Nuclear Information System (INIS)

High temperature thermochemistry of thoria-urania fuel for Advanced Heavy Water Reactor was investigated. Oxygen potential development within the matrix and distribution behaviors of the fission products (fps) in different phases were worked out with the help of thermodynamic and transport properties of the fps as well as fission generated oxygen and the detailed balance of the elements. Some of the necessary data for different properties were generated in this laboratory while others were taken from literatures. Noting the behavior of poor transports of gases and volatile species in the thoria rich fuel (thoria-3 mol% urania), the evaluation shows that the fuel will generally bear higher oxygen potential right from early stage of burnup, and Mo will play vital role to buffer the potential through the formation of its oxygen rich chemical states. The problems related to the poor transport and larger retention of fission gases (Xe) and volatiles (I, Te, Cs) are ...

2010-08-01

161

Study of structural, thermodynamical and dynamical properties of molecular liquids confined in nano-porous materials  

International Nuclear Information System (INIS)

When liquids are confined in nano-scopic dimensions, their properties differ from the corresponding bulk liquid, due to their reduced dimensionality and surface effects. Phase transition temperatures and pressures are often shifted from the bulk values and new phases can appear due to the strong interactions of the molecules with the confining walls. We have studied the structural and dynamical properties of aromatic liquids such as benzene, toluene, and ortho-terphenyl confined in nano-porous materials, MCM-41 and SBA-15, synthesized and characterized in our laboratory. A non-trivial dependence of the glass transition temperature, Tg, on the pore size and surface treatment of nano-porous materials is confirmed and interpreted as resulting from a competition between the fluid-wall and fluid-fluid intermolecular interactions. An increase of Tg is observed for small pore sizes and attractive surface while Tg decreases for non attractive surface, whatever the pore size. For a pore size of ...

2006-01-01

162

Solid-gas equilibria in CaSO/sub 3/-H/sub 2/O/sub (g)/ system and Lewis-acid-base alloys  

Energy Technology Data Exchange (ETDEWEB)

The role played by calcium sulfite in the flue gas desulfurization of lime/limestone scrubbers makes it desirable to work out its thermodynamic properties. A thermogravimetric apparatus was used to study the equilibria between calcium sulfite hemihydrate and calcium sulfite anhydrite under different conditions. Efforts were made to analyze the difficulties encountered in the dynamic approach to equilibration after calcium sulfate dihydrate failed in calibration of the apparatus. Finally, the kinetics and thermodynamics for the dissociation of calcium sulfite hemihydrate were examined. The confirmation of Engel-Brewer's correlation between the electronic configuration and crystal structure in metallic systems has long been pursued in this group by studying the Lewis-acid-base interactions. Tantalum-iridium alloys of different compositions were brought into equilibrium with various steam/hydrogen mixtures in the same thermogravimetric ...

1981-10-01

163

Solar syngas production from CO"2 and H"2O in a two-step thermochemical cycle via Zn/ZnO redox reactions: Thermodynamic cycle analysis  

British Library Electronic Table of Contents (United Kingdom)

Solar syngas production from CO"2 and H"2O is considered in a two-step thermochemical cycle via Zn/ZnO redox reactions, encompassing: 1) the ZnO thermolysis to Zn and O"2 using concentrated solar radiation as the source of process heat, and 2) Zn reacting with mixtures of H"2O and CO"2 yielding high-quality syngas (mainly H"2 and CO) and ZnO; the ZnO is recycled to the first, solar step, resulting in net reaction @bCO"2 + (1 - @b)H"2O -> @bCO + (1 - @b)H"2. Syngas is further processed to liquid hydrocarbon fuels via Fischer-Tropsch or other catalytic processes. Second-law thermodynamic analysis is applied to determine the cycle efficiencies attainable with and without heat recuperation for varying molar fractions of CO"2:H"2O and solar reactor temperatures in the range 1900-2300 K. Conside...

2011-01-01

164

Semiempirical model based on thermodynamic principles for determining 6 kW proton exchange membrane electrolyzer stack characteristics  

Energy Technology Data Exchange (ETDEWEB)

The performance of a 6 kW proton exchange membrane (PEM) electrolyzer was modeled using a semiempirical equation. Total cell voltage was represented as a sum of the Nernst voltage, activation overpotential and ohmic overpotential. A temperature and pressure dependent Nernst potential, derived from thermodynamic principles, was used to model the 20 cell PEM electrolyzer stack. The importance of including the temperature dependence of various model components is clearly demonstrated. The reversible potential without the pressure effect decreases with increasing temperature in a linear fashion. The exchange current densities at both the electrodes and the membrane conductivity were the coefficients of the semiempirical equation. An experimental system designed around a 6 kW PEM electrolyzer was used to obtain the current-voltage characteristics at different stack temperatures. A nonlinear curve fitting method was employed to determine the equation coefficients from ...

2008-12-01

165

Second-law efficiency of solar-thermal cavity receivers  

Energy Technology Data Exchange (ETDEWEB)

Properly quantified performance of a solar-thermal cavity receiver must not only account for the energy gains and losses as dictated by the First Law of thermodynamics, but it must also account for the quality of that energy. However, energy quality can only be determined from the Second Law. In this paper an equation for the Second-Law efficiency of a cavity receiver is derived from the definition of available energy or availability (occassionally called exergy), which is a thermodynamic property that measures the maximum amount of work obtainable when a system is allowed to come into unrestrained equilibrium with the surrounding environment. The fundamental concepts of the entropy and availability of radiation are explored from which a convenient relationship among the reflected cone half angle, the insolation, and the concentrator geometric characteristics is developed as part of the derivation of the Second-Law efficiency. A comparison is ...

1983-10-01

166

Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division: January--March 1997  

Energy Technology Data Exchange (ETDEWEB)

This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division (CTD) at Oak Ridge National Laboratory (ORNL) during the period January--March 1997. Created in March 1997 when the CTD Chemical Development and Energy Research sections were combined, the Chemical and Energy Research Section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within seven major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Molten Salt Reactor Experiment (MSRE) Remediation Studies, Chemistry Research, Separations and Materials Synthesis, Solution Thermodynamics, and Biotechnology Research. The name of a technical contact is included with ...

1998-01-01

167

Oxidative dimerization of methane over lead-magnesium mixed oxide catalysts  

Energy Technology Data Exchange (ETDEWEB)

Our goal was a process to convert methane to higher hydrocarbons oxidatively, since this circumvents thermodynamic yield limits of a strictly degydrogenative process. Keller and Bhasin converted thermodynamic yield limits of a strictly dehydrogenative process. Keller and Bhasin converted methane to higher hydrocarbons by using metal oxides as oxidants, without co-fed oxygen. They stated that selectivity is necessarily poor if gaseous oxygen is present. Jones and Sofranko have also used reducible metal oxides as oxidants in a group of their parents, but later used some of those materials with continuous O{sub 2} feed without much loss of selectivity. Baerns, Lunsford and Otsuka have shown that high selectivity could be possible with co-fed O{sub 2} at least for low O{sub 2} partial pressures, over PbO-A1{sub 2}O{sub 3}, Li-MgO and rare earths. The performance of a group of multicomponent oxide catalysts, containing lead and magnesium oxides, for ...

1987-08-01

168

Equilibrium, thermodynamic and kinetic studies for the biosorption of aqueous lead(II) ions onto the seed husk of Calophyllum inophyllum  

British Library Electronic Table of Contents (United Kingdom)

Biosorption of lead(II) ions from aqueous solution onto the seed husk of Calophyllum inophyllum was investigated in a batch system. Equilibrium, thermodynamics and kinetic studies were conducted by considering the effects of pH, initial metal ion concentration, contact time, and temperature. The results showed that the uptake of the metal ions increased with increase in initial metal ion concentration. The pH for optimum adsorption was 4 for the Pb(II) ions (q=4.86mg/g and 97.2% adsorption). Langmuir isotherm described the biosorption of Pb(II) ions onto the biomass (R^2=0.9531) better than the Freundlich model (R^2=0.7984), and the Temkin model (R^2=0.8761). Biosorption kinetics data obtained for the metal ions sorption were fitted using pseudo-first-order and pseudo-second-order. It was ...

2010-01-01

169

Equilibrium and thermodynamic parameters of single and binary mixture biosorption of lead (II) and copper (II) ions onto Pseudomonas putida: Effect of temperature  

Energy Technology Data Exchange (ETDEWEB)

The biosorption of lead (II) and copper (II) ions, single component and binary systems, by dried P. putida was investigated in a batch system. The effects of initial pH, temperature, initial single and binary mixture concentrations on the biosorption kinetics and equilibrium uptake of each component, both single and binary mixtures were investigated. The bacterial biomass exhibited the highest single and binary lead (II) and copper (II) ions uptake capacity at 25 and 30 deg. C, respectively, the initial pH value of 5.5 and at the initial metal ions concentration of 100 mg dm{sup -3}. The Freundlich and Langmuir adsorption models were used for the mathematical description of the biosorption equilibrium and isotherm constants were evaluated at different temperatures. Adsorption data were well described by the Langmuir model, although they could be modeled by the Freundlich equation. The thermodynamics constants of the adsorption process: {delta}H{sup o}, {delta}S{sup ...

2006-07-31

170

Design and part-load behavior of a receiver for a solar-heated gas turbine with a parabolic dish collector  

Energy Technology Data Exchange (ETDEWEB)

The present paper deals with the conversion of solar energy in a gas turbine plant with a parabolic dish collector. Particular consideration is devoted to the thermodynamic and mechanical design and partload behavior of the receiver. The incident sunlight is focussed by the parabolic dish and then beamed into the cavity receiver. Here the working medium of the gas turbine flows through tubes and is heated up to the receiver outlet temperature. The task of the receiver is to transfer the radiated energy as efficiently as possible to the working medium. Furthermore the required heating surface should be small as possible i.e. optimum use must be made of the tube material with respect to its state of stress. It is shown which geometric and thermodynamic plant parameters influence these two design criteria. An optimum receiver design is presented on the basis of the results thus obtained. Finally, the variations in receiver efficiency and tube ...

1984-06-01

171

Controlled grain boundary structures in superconductors. Final report 1 Jan 77-31 Dec 81  

Energy Technology Data Exchange (ETDEWEB)

Theoretical work supported by this grant has lead to the concept of the specific pinning force Q and the development of new methods to sum elementary interaction forces to find Q. Pinning due to changes in transition temperature or thermodynamic critical field in thin layers (e.g., a grain boundary), is greatly reduced due to the proximity effect and the stress field interaction due to the dislocations in the grain boundary has been shown to be negligible. The crystalline anisotropy (CA) and electron scattering (ES) interactions have been computed for the first time for an arbitrary boundary. Experiments on niobium bicrystals, polycrystalline niobium thin foils doped with oxygen, lead-bismuth alloy thin films and lead-bismuth alloy films in which either lead or thallium has been allowed to diffuse down the grain boundaries and out into the grains provide evidence that confirms the predictions of the theory. These results suggest that further improvements in grain ...

1982-03-01

172

Combined cycle power plant with integrated low temperature heat (LOTHECO)  

International Nuclear Information System (INIS)

The major driver to enhance the efficiency of the simple gas turbine cycle has been the increase in process conditions through advancements in materials and cooling methods. Thermodynamic cycle developments or cycle integration are among the possible ways to further enhance performance. The current paper presents the possibilities and advantages from the LOTHECO natural gas-fired combined cycle concept. In the LOTHECO cycle, low-temperature waste heat or solar heat is used for the evaporation of injected water droplets in the compressed air entering the gas turbine's combustion chamber. Following a description of this innovative cycle, its advantages are demonstrated by comparison between different gas turbine power generation systems for small and large-scale applications, including thermodynamic and economic analysis. A commercial gas turbine (ALSTOM GT10C) has been selected and computed with the heat mass balance program ENBIPRO. The results ...

2004-08-01

173

Biosorption of total chromium from aqueous solution by red algae (Ceramium virgatum): Equilibrium, kinetic and thermodynamic studies  

Energy Technology Data Exchange (ETDEWEB)

This study focused on the biosorption of total chromium onto red algae (Ceramium virgatum) biomass from aqueous solution. Experimental parameters affecting biosorption process such as pH, contact time, biomass dosage and temperature were studied. Langmuir, Freundlich and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherms. Langmuir model fitted the equilibrium data better than the Freundlich isotherm. The biosorption capacity of C. virgatum biomass for total chromium was found to be 26.5 mg/g at pH 1.5 and 10 g/L biomass dosage, 90 min equilibrium time and 20 deg. C. From the D-R isotherm model, the mean free energy was calculated as 9.7 kJ/mol, indicating that the biosorption of total chromium was taken place by chemisorption. The calculated thermodynamic parameters ({delta}G{sup o}, {delta}H{sup o}and {delta}S{sup o}) showed that the biosorption of total chromium onto C. virgatum biomass was feasible, spontaneous and exothermic at ...

2008-12-30

174

Biosorption of cadmium(II) from aqueous solution by red algae (Ceramium virgatum): Equilibrium, kinetic and thermodynamic studies  

Energy Technology Data Exchange (ETDEWEB)

The biosorption characteristics of Cd(II) ions using the red alga (Ceramium virgatum) were investigated. Experimental parameters affecting the biosorption process such as pH, contact time, biomass dosage and temperature were studied. Langmuir, Freundlich and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherms. The biosorption capacity of C. virgatum biomass for Cd(II) ions was found to be 39.7 mg/g. From the D-R isotherm model, the mean free energy was calculated as 12.7 kJ/mol, indicating that the biosorption of Cd(II) the metal ions was taken place by chemisorption. The calculated thermodynamic parameters ({delta}G{sup o}, {delta}H{sup o} and {delta}S{sup o}) showed that the biosorption of Cd(II) ions onto C. virgatum was feasible, spontaneous and exothermic at 293-323 K. Evaluation of experimental data in terms of biosorption kinetics showed that the biosorption of Cd(II) C. virgatum followed well pseudo-second-order kinetics.

2008-09-15

175

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

International Nuclear Information System (INIS)

Thermodynamic data has been selected for solids and aqueous species of technetium. Equilibrium constants have been calculated in the temperature range 0 to 300 deg C at a pressure of 1 bar for T<100 deg C and at the steam saturated pressure at higher temperatures. For aqueous species, the revised Helgeson-Kirkham-Flowers model is used for temperature extrapolations. The data base contains a large amount of estimated data, and the methods used for these estimations are described in detail. A new equation is presented that allows the estimation of #DELTA#_rCdeg_p_m values for mononuclear hydrolysis reactions. The formation constants for chloro complexes of Tc(V) and Tc(IV), whose existence is well established, have been estimated. The majority of entropy and heat capacity values in the data base have also been estimated, and therefore temperature extrapolations are largely based on estimations. The uncertainties derived from these calculations are described. Using ...

176

Use of real-time Fourier Transform Infrared Reflectivity as an in situ monitor of YBCO film growth and processing  

CERN Document Server

Fourier Transform Infrared (FTIR) spectroscopy has been utilized during high rate E-beam evaporation/deposition of YBa2Cu3O7 (YBCO). The results demonstrate the great utility of FTIR as an in situ monitor of YBCO deposition and processing. We detect different (amorphous/fine polycrystalline) insulating pre-existing phases to the high Tc superconducting phase which appear to have distinct reflectivity fingerprints dominated by thin film interference effects, as a function of temperature and oxygen pressure. These fingerprints reveal some of the kinetic and thermodynamic pathways during the growth of YBCO.

2007-01-01

177

Two-fluid spray atomisation and pneumatic nozzles for fluid bed coating/agglomeration purposes: A review  

DEFF Research Database (Denmark)

In fluid bed processing in the chemical, food or pharmaceutical industries, pneumatic nozzles are typically used to convert binder or coating liquids into droplets. Producing fine droplets from liquids in a gas phase is termed atomisation, and it involves complex phenomena which are not yet fully understood. This paper provides a systematic and up-to-date review of two-fluid nozzle designs and principles together with a presentation of nozzle fundamentals introducing basic nozzle theory and thermodynamics. Correlations for the prediction of mean droplet diameters are reviewed, compared and accompanied by a discussion of their use.

2008-01-01

178

Towards the entropy of gravity time-dependent models via the Cardy-Verlinde formula  

International Nuclear Information System (INIS)

For models with several time-dependent components, generalized entropies can be defined. This is shown for the Bianchi type IX model. We first derive the Cardy-Verlinde formula under the assumption that the first law of thermodynamics is valid. This leads to an explicit expression of the total entropy associated with this type of universe. Assuming the validity of the Cardy entropy formula, we obtain expressions for the corresponding Bekenstein, Bekenstein-Hawking and Hubble entropies. We discuss the validity of the Cardy-Verlinde formula and possible extensions of the outlined procedure to other time-dependent models.

2003-07-15

179

Theoretical calculation for the elastic wave velocities and thermodynamic functions of graphite  

International Nuclear Information System (INIS)

Based on the generalized gradient approximation (GGA) of density functional theory (DFT) and the full-potential linearized augmented plane wave (FLAPW) at the level including all electrons, the lattice parameters of graphite are calculated and optimized. Some elastic wave velocities transmitted in graphite are deduced. Using the methods of elastic wave velocity method and the atomic displacement method, the Debye frequency of graphite is obtained. The standard heat capacity, entropy, sublimation enthalpy of graphite is deduced at 289.5 k and 1 atm. The calculated results are discussed and compared with experimental data. (authors)

2006-06-01

180

The use of water-soluble hydrazones as inhibitors for the corrosion of C-steel in acidic medium  

Energy Technology Data Exchange (ETDEWEB)

Inhibition efficiency of some water-soluble hydrazones for C-steel corrosion in hydrochloric acid has been tested by weight loss, polarisation measurements and open circuit technique. The inhibition effect was attributed to the adsorption of the additives on the C-steel surface as supported by adsorption measurements at Pt electrode using cyclic voltammetry. Electrochemical measurements indicated that all the additives behave as cathodic-type inhibitors. The data obtained fit well to both the Temkin adsorption isotherm and the kinetic-thermodynamic model. The inhibition behaviour and its order were explained with the help of the proposed skeletal representation.

2007-09-15

181

The ideal gases of tachyons  

International Nuclear Information System (INIS)

The formalism of statistical mechanics of particles slower than light has been considered from the point of view of the application of this formalism for the description of tachyons. Properties of ideal gases of tachyons have been discussed in detail. After finding general formulae for quantum, Bose and Fermi gases the classical limit has been considered. It has been shown that Bose-Einstein condensation occurs. The tachyon gas of bosons violates the third principle of thermodynamics. Degenerated Fermi gas has been considered and in this case the entropy vanishes at zero temperature. Difficulties of formulating covariant statistical mechanics have been discussed.

182

The effect of phosphonic acid substituents on europium(III) complex stability in acidic solutions  

Science.gov (United States)

The thermodynamics of protonation and europium(III) complex formation with substituted methane diphosphonic acids have been reported recently. These ligands form strong complexes with europium in moderately acidic solutions ((H{sup +}) {ge} 0.1 M), conditions not conducive to complexation by most carboxylate and aminopolycarboxylate ligands. A correlation of log {beta} vs pK{sub a} values for phosphonate and carboxylate ligands is used to explore the effect of ligand structure on complex stability. 5 refs., 1 fig.

1990-01-01

183

The CRC handbook of thermal engineering  

Energy Technology Data Exchange (ETDEWEB)

This book is not a traditional handbook. Engineers in industry need up-to-date, accessible information on the applications of heat and mass transfer. This book is the answer. Contents include: (1) emphasis on applications in thermal design and computer solutions of thermal engineering problems; (2) an introduction to the use of the Second Law of Thermodynamics in analysis, optimization, and economics; (3) information on topics of current interest--in a form convenient and accessible to the average engineer; (4) three chapters of background material--enough to review the basic principles needed to understand specific thermal applications; and (5) extensive treatment of computational tools and numerical analysis.

1999-12-01

184

Technical report for fabrication and performance test of electrochemical/spectroscopic measurement system  

International Nuclear Information System (INIS)

Development of evaluation technology of electrochemical reactions is very essential to understand chemical behavior of actinides and lanthanides in molten salt media in relation to the development of Pyrochemical process. The on-line electrochemical/spectroscopic measurement system is to produce electrochemical parameters and thermodynamic parameters of actinides and lanthanides in molten salts by using spectroscopic techniques such as UV-VIS absorption as well as electrochemical in-situ measurement techniques. The on-line electrochemical/spectroscopic measurement system can be applied to understand the chemical reactions and oxidation states of actinides and lanthanides in molten salts eventually for the Pyrochemical process

2006-09-01

185

Steam turbines. Dampfturbinen  

Energy Technology Data Exchange (ETDEWEB)

Due to the general market conditions, the construction of steam turbines was greatly reduced in 1987. As in 1986, it came to a downward movement. This situation will heighten in the coming years. The exploitation of devices, which are available by way of the development of EDP in computation, construction, production and operation, leads to considerable improvements. These improvements can only be employed gradually, due to the reduction in production. However, technological progress can be used economically in part in the restoration of old installations. Here turbine construction, the thermodynamical interpretation of gas and steam turbines, developments in the field of conduction technology, piping and materials are described. Also improvements in operation security and operation supervision of the installations is treated, as well as service and maintenance of the plants. (BR) With 131 refs.

1988-04-01

186

Response to 'Comment on 'Experimental observation of carbon dioxide reduction in exhaust gas from hydrocarbon fuel burning'' [Phys. Plasmas 17, 014701 (2010)  

International Nuclear Information System (INIS)

A high-voltage cathode initiates an electron emission, resulting in a reduction in the carbon dioxide concentration in exhaust gas from the burning of hydrocarbon fuel. Assuming that the observed carbon dioxide reduction is originated from the molecular decomposition, the energy needed for the endothermic reaction of this carbon dioxide reduction may stem primarily from the internal energy reduction in the exhaust gas in accordance of the first law of the thermodynamics. An oxygen increase due to the reduction in carbon dioxide in a discharge gas was observed in real time.

2010-01-01

187

Natural-convection cooling of heat-producing radioactive waste in transport and storage casks  

International Nuclear Information System (INIS)

The heat transfer characteristics of a newly developed transport and storage cask for vitrified heat-producing radioactive waste from reprocessing are described. The theoretical layout of the cask was tested by measurements on a prototype cask of the scale 1:1. These measurements confirmed the theoretical thermodynamic layout data. They can be described by the function Nu=CxRa"m, with the constant C, but not the constant m, differing for a vertical and a horizontal position of the cask. The measured velocity and temperature profiles of the cask were verified with an existing code for the calculation of heat transfer from finned horizontal cylinders by natural convection. (orig.).

188

Moessbauer study of mechanically alloyed powders  

Energy Technology Data Exchange (ETDEWEB)

Using the [sup 57]Fe Moessbauer spectroscopy, the microscopic behavior of Fe powders has been investigated during and after the mechanical alloying (MA) process for Al-Fe and Ag-Fe systems. A repeated rolling method as well as a conventional ball-milling method are employed in order to understand the microscopic process of the kneading of Al and Fe powders during their MA and the resultant powders show quite similar Moessbauer spectra suggesting that the kneading by an impact between colliding balls is the same process as that of the thickness reduction by cold rolling. Moessbauer spectra show clearly the occurrence of the mutual atomic dispersion for the thermodynamically immiscible Ag-Fe system. (orig.).

1991-11-01

189

Method of calculation of positions of isotherms of spinodal for solid phase of the type A/sub x/B/sub y/C/sub 1-x-y/D  

Science.gov (United States)

The authors suggest a method of calculation of the isotherms of the spinodal and the heterogeneous equilibria in four-component systems in the framework of a unified thermodynamic model of the solution. The results of their calculations predict the existence of extended regions of immiscibility in the solid phase in the interval of temperatures usually used to obtain epitaxial layers of InAs/sub x/P/sub y/Sb/sub 1-x-y/ and AlAs/sub x/P/sub y/Sb/sub 1-x-y/.

1987-01-01

190

Metastability of Molecular Phases of Nitrogen: Implications to the Phase Diagram  

Energy Technology Data Exchange (ETDEWEB)

Despite their simplicity, diatomic molecules of first row elements can exhibit very complex phase diagrams. Determination of the phase diagrams can be further complicated by the existence of hysteretic molecular phases that can be observed over large regions of coexistence. Here we present evidence for a previously unreported molecular phase of nitrogen existing at room temperature at least over the range of 33-74 GPa. Our measurements show that sample history may have a significant impact on the thermodynamic states accessed by the molecular nitrogen solid and, by extension, also on the established phase diagram.

2001-09-12

191

Knock limitations of methane-air mixtures in a turbocharged dual-fuel engine  

Energy Technology Data Exchange (ETDEWEB)

Knock limitations are investigated using natural gas, with diesel pilot ignition, as a fuel for the 3406 DI-TA Caterpillar diesel engine. Thermodynamic properties at TDC are generated by computer and compared with experimental results. Exhaust emissions are analyzed. A comparison is made of dual-fuel operation relative to diesel. Observations are made to determine the onset of knock. The onset of knock is characterized as a function of engine speed, load, inlet manifold temperature, and air-fuel ratio (A/F). The conditions at the inset of knock are determined using cylinder pressure data. The most efficient operating range is determined with knock avoidance as a prime parameter.

1987-01-01

192

Ideal gases of tachyons  

Energy Technology Data Exchange (ETDEWEB)

The formalism of statistical mechanics of particles slower than light has been considered from the point of view of the application of this formalism for the description of tachyons. Properties of ideal gases of tachyons have been discussed in detail. After finding general formulae for quantum, Bose and Fermi gases the classical limit has been considered. It has been shown that Bose-Einstein condensation occurs. The tachyon gas of bosons violates the third principle of thermodynamics. Degenerated Fermi gas has been considered and in this case the entropy vanishes at zero temperature. Difficulties of formulating covariant statistical mechanics have been discussed.

1984-06-11

193

Higher dimensional Yang-Mills black holes in third order Lovelock gravity  

CERN Document Server

By employing the higher dimensional version of the Wu-Yang Ansatz we obtain magnetically charged new black hole solutions in the Einstein-Yang-Mills-Lovelock (EYML) theory with second ($\\alpha2$) and third ($\\alpha3$)order parameters. These parameters, where $\\alpha2$ is also known as the Gauss-Bonnet parameter, modify the horizons (and the resulting thermodynamical properties) of the black holes. It is shown also that asymptotically, these parameters contribute to an effective cosmological constant -without cosmological constant- so that the solution behaves de-Sitter (Anti de-Sitter) like.

2008-01-01

194

Fundamental R and D program on water chemistry of supercritical pressure water under radiation field  

International Nuclear Information System (INIS)

In a supercritical water-cooled reactor, property of water changes significantly around the critical point. It is expected that irradiation and change of water property will affect the chemistry and material corrosion. Deep understanding of interactions between supercritical water and materials under irradiation is important. However, comprehensive data on radiolysis, kinetics, corrosion and thermodynamics have not been obtained due to the severe experimental condition. To get such data by experiments and computer simulations, a national program funded by Ministry of Education, Culture, Sports, Science and Technology (MEXT) has been started since December 2002. (author)

2003-09-15

195

Dependence of thermal plasma jet temperature on discharge power and gas flow rate  

International Nuclear Information System (INIS)

With the help of heat balance equation and high temperature thermodynamic function, the calibration relation of jet temperature with discharge power, gas flow rate was obtained for nitrogen thermal plasma. It was shown that the results were agreed with the principle of similarity. The jet temperature was a function of Peff/f, instead of a general two variables function of Peff and f, which were effective discharge power and working gas flow rate, respectively. A related discussion has been given; it will be referable to thermal plasma applications. (authors)

2008-03-01

196

Condensing curves for a number of mixed-hydrocarbon working fluids  

Energy Technology Data Exchange (ETDEWEB)

Condensing curves are presented for a number of two-component mixed hydrocarbon working fluids which are potentially usable in binary geothermal cycles. Performance of geothermal thermodynamic cycles incorporating these fluids has been evaluated under separate cover; two figures summarizing the results of those evaluations have been included here for continuity. The purpose of this report is: first, to document the condensing curves which were used in the mixed fluid cycle analyses, and second, to provide background useful in the preliminary evaluation of heat rejection systems for advanced geothermal electric power plants utilizing mixed hydrocarbon working fluids. Some concluding remarks are presented.

1981-07-01

197

Computer simulation of interface potentials: Towards a first principle description of complex interfaces?  

British Library Electronic Table of Contents (United Kingdom)

We discuss the feasibility of a hierarchical protocol whereby the description and prediction of adsorbed fluids in confined systems at the mesoscopic scale is achieved by use of interface potentials that are obtained from raw molecular simulation data. Starting from a microscopic description of a fluid?s interface on a flat substrate, we attempt to extract the minimum information that is required in order to predict the behavior of that fluid at larger length scales from coarse grained surface Hamiltonians. A critical assessment of this procedure hinges on controversial aspects of wetting behavior and more generally on the meaning of metastability and instability of thermodynamic systems.

2011-01-01

198

CRC materials science and engineering handbook. Third edition  

Energy Technology Data Exchange (ETDEWEB)

This definitive reference is organized in an easy-to-follow format based on materials properties. It features new and existing data verified through major professional societies in the materials fields, such as ASM International and the American Ceramic Society. The third edition has been significantly expanded, most notably by the addition of new tabular material for a wide range of nonferrous alloys and various materials. The contents include: Structure of materials; Composition of materials; Phase diagram sources; Thermodynamic and kinetic data; Thermal properties of materials; Mechanical properties of materials; Electrical properties of materials; Optical properties of materials; Chemical properties of materials.

1999-01-01

199

CO2 CAPTURE BY ABSORPTION WITH POTASSIUM CARBONATE  

Energy Technology Data Exchange (ETDEWEB)

The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. Progress has been made in this reporting period on three subtasks. A simple thermodynamic model has been developed to represent the CO{sub 2} vapor pressure and speciation of the new solvent. A rate model has been formulated to predict the CO{sub 2} flux with these solutions under absorber conditions. A process and instrumentation diagram and process flow diagram have been prepared for modifications of the existing pilot plant system.

2002-10-01

200

Application properties of AB{sub 2}-type hydrogen absorbing alloys  

Energy Technology Data Exchange (ETDEWEB)

Use of hydrogen absorbing alloys in various practical applications is always connected with the problem of production of starting alloys. The transition from laboratory samples to small-scale production involves the change of furnace and its operation mode and this has an effect on the preparation method of mixture of starting metal. Also, for some applications such as thermosorption compressors the exact values of thermodynamical parameters of reaction are needed. In the present work we present the results of investigation of series Laves phase hydrogen-absorbing alloys which can be promising in for use in different devices. 1 ref.

1998-07-01

201

Anaerobic oxidation of carbon steel in granitic groundwaters: A review of the relevant literature  

International Nuclear Information System (INIS)

This report reviews the published literature on the anaerobic oxidation of iron in aqueous solutions which are of particular relevance to Swedish granitic groundwaters. The thermodynamics of iron corrosion in water are briefly considered. Following this the experimental data found in the literature are presented and discussed. Results were found for corrosion of iron in both pure water and solutions containing mineral salts. The literature work in the nature of the films formed on iron surfaces under anaerobic conditions is reviewed and the possible mechanisms of film formation are discussed. Conclusions are drawn on the factors most likely to influence and control film growth. 32 refs.

2010-02-01

202

Adsorption properties of. cap alpha. -modification of boron nitride  

Science.gov (United States)

The adsorption properties of four samples of ..cap alpha..-BN were studied by means of gas chromatography. The particles of ..cap alpha..-BN particles, according to data obtained by electron microscopy, have the shape of thin platelets. A sample of ..cap alpha..-BN prepared from magnesium polyboride was found to be the most nearly homogeneous adsorbent. For a number of n-alkanes, benzene, and alkylbenzenes, data have been obtained on the retention volumes (Henry constants) and the differential heats of adsorption for surface coverages approaching zero. These thermodynamic data on the adsorption showed that ..cap alpha..-BN, like graphitized thermal carbon black, is a nonspecific adsorbent.

1986-11-01

203

Adsorption properties of #alpha#-modification of boron nitride  

International Nuclear Information System (INIS)

The adsorption properties of four samples of the #alpha#-modification of boron nitride (#alpha#-BN) were investigated by the gas-chromatographic method. According to the electron microscopy data, the #alpha#-BN particles possess the shape of thin plates. An #alpha#-BN sample prepared from magnesium polyboride, is the most uniform adsorbent. For a series of n-alkanes, benzene, and alkyl benzenes, by testing the #alpha#-BN samples one has obtained the retained volumes (Henry constants) and the values of the differential adsorption heat, which are close to those of the surface zero filling. These thermodynamic characteristics of adsorption have shown that the #alpha#-BN, line the graphitized thermal carbon black, is not a specific adsorbent.

204

Adsorption of benzyl alcohol and 1-phenylethanol on graphitized thermal carbon black  

British Library Electronic Table of Contents (United Kingdom)

The adsorption of benzyl alcohol and 1-phenylethanol on graphitized thermal carbon black at 300 K is investigated. Thermodynamic characteristics of the adsorption of conformers stable in the gas phase and in the adsorbed state are determined by a molecular statistics method. The geometry of the molecules is optimized using the MP2 and B3LYP methods with a 6-311++G(d,p) basis set. Using the PBE0/6-31G(d) method, it is established that, in the adsorption of benzyl alcohol, two types of interactions, CH?O and OH??GTCB, occur. It is shown that, in 1-phenylethanol, intramolecular interactions are maintained.

2010-01-01

205

(Pittsburgh Energy Technology Center): Quarterly technical progress report for the period ending June 30, 1987. [Advanced Coal Research and Technology Development Programs  

Science.gov (United States)

Research programs on coal and coal liquefaction are presented. Topics discussed are: coal science, combustion, kinetics, surface science; advanced technology projects in liquefaction; two stage liquefaction and direct liquefaction; catalysts of liquefaction; Fischer-Tropsch synthesis and thermodynamics; alternative fuels utilization; coal preparation; biodegradation; advanced combustion technology; flue gas cleanup; environmental coordination, and technology transfer. Individual projects are processed separately for the data base. (CBS)

1988-02-01

206

Silicon nitride films deposited from SiH sub 2 Cl sub 2 -NH sub 3 by low pressure chemical vapor deposition: kinetics, thermodynamics, composition and structure  

Energy Technology Data Exchange (ETDEWEB)

The growth of stoichiometric and non-stoichiometric silicon nitride films was studied experimentally on 100 mm silicon wafers by batch depositions from the dichlorosilane (SiH{sub 2}Cl{sub 2})-ammonia (NH{sub 3}) system in a hot-wall horizontal low pressure chemical vapor deposition (LPCVD) reactor. The growth kinetics were discussed in terms of the Langmuir adsorption isotherm. The kinetic parameters were determined by comparing the experimental data with a one-dimensional simulation model. The decomposition of NH{sub 3} at high temperatures was included in the simulation procedure. When the SiH{sub 2}Cl{sub 2}:NH{sub 3} ratios were greater than 1.5, a quantity higher than the thermodynamic critical values above which Si-rich nitride films begin to deposit, various SiN{sub x} films with x < 4/3 were obtained. The composition of the SiN{sub x} films was found to vary along the LPCVD reactor. The film stoichiometry was examined by Rutherford backscattering and ...

1992-06-15

207

Kinetic and thermodynamic studies of uranium minerals. Assessment of the long-term evolution of spent nuclear fuel  

Energy Technology Data Exchange (ETDEWEB)

We have studied the dissolution behavior of uraninite, becquerelite, schoepite and uranophane. The information obtained under a variety of experimental conditions has been combined with extensive solid phase characterizations, performed in both leached and unleached samples. The overall objective is to construct a thermodynamic and kinetic model for the long-term oxidation alteration of UO{sub 2}(s), as an analogy of the spent nuclear fuel matrix. We have determined the solubility product for becquerelite (logK{sub s0} 32.7{+-}1.3) and uranophane (logK{sub s0} = 7.8{+-}0.8). In some experiments, the reaction progress has shown initial dissolution of uranophane followed by precipitation of a secondary solid phase, characterized as soddyite. The solubility production for this phase has been determined (logK{sub s0} = 3.0{+-}2.9). We have studied the kinetics of dissolution of uraninite, uranophane and schoepite under oxidizing conditions in synthetic granitic ...

1994-10-01

208

Hot atom labeling of myoglobin and hemoglobin and biophysical studies of oxygen and CO binding to carp hemoglobin  

International Nuclear Information System (INIS)

Human Hb, the monomeric Hb of Glycera dibranchiata and horse Mb were modified by replacement of the protoheme with 2,4-dibromodeuteroheme. Following neutron capture by "7"9Br and "8"1Br, the locations of radioactive Br were determined. Although human Hb had approximately four times the mass and volume of the other proteins, about 9% of the activated Br was inserted into each of the three globins. These results suggest that the insertion is short-range (within 15 angstrom) and that this method could be used to label target sites in various proteins and other biological structures. Carp Hb's containing proto-, meso-, deutero- and dibromoheme were prepared. Kinetic and thermodynamic parameters for oxygen and CO binding were determined at Ph 6 (+IHP) (T-state, low-affinity protein) and Ph 9 (R-state, high-affinity protein). Parameters for the binding of oxygen and CO were related to the properties of the four hemes to estimate the inductive and steric factors in the ...

209

Energy systems. Tome 3: advanced cycles, low environmental impact innovative systems  

International Nuclear Information System (INIS)

This third tome about energy systems completes the two previous ones by showing up advanced thermodynamical cycles, in particular having a low environmental impact, and by dealing with two other questions linked with the study of systems with a changing regime operation: - the time management of energy, with the use of thermal and pneumatic storage systems and time simulation (schedule for instance) of systems (solar energy type in particular); - the technological dimensioning and non-nominal regime operation studies. Because this last topic is particularly complex, new functionalities have been implemented mainly by using the external classes mechanism, which allows the user to freely personalize his models. This tome is illustrated with about 50 examples of cycles modelled with Thermoptim software. Content: foreword; 1 - generic external classes; 2 - advanced gas turbine cycles; 3 - evaporation-concentration, mechanical steam compression, desalination, hot gas ...

210

Thermodynamic investigation of crystalline K{sub 2}Cr{sub 2}O{sub 7} and aqueous K{sub 2}Cr{sub 2}O{sub 7} solution  

Energy Technology Data Exchange (ETDEWEB)

The molar heat capacities (C{sub p,m}) of crystalline potassium dichromate (K{sub 2}Cr{sub 2}O{sub 7} (cr)) and aqueous K{sub 2}Cr{sub 2}O{sub 7} solution (0.1699 mol.kg{sup -1}) were measured in the temperature range from 100 to 390 K and from 80 to 370 K by an automatic adiabatic calorimeter equipped with a small cell of internal volume of 6 cm{sup 3}, respectively. No phase transition took place in the temperature range from 100 to 390 K for K{sub 2}Cr{sub 2}O{sub 7} (cr). The relationships of C{sub p,m} of K{sub 2}Cr{sub 2}O{sub 7} (cr) with respect to T were established to be C{sub p,m} 177.53 + 161.92 X - 138.14 X{sup 2} - 209.67 X{sup 3} + 160.35 X{sup 4} + 137.44 X{sup 5} - 41.291 X{sup 6} and C{sub p,m} 177.52 + 171.66 X -149.59 X{sup 2} - 246.17 X{sup 3} + 194.79 X{sup 4} + 167.30 X{sup 5} - 64.368 X{sup 6} (X=(T-245.00)/145.00) for Series 1 and Series 2 experiments, respectively. No phase transition took place for the solution from 80 to 270 K. The function of C{sub p,m} of ...

2003-07-01

211

Corrosion inhibition of steel in crude oil storage tanks  

Energy Technology Data Exchange (ETDEWEB)

The corrosion behavior of steel in water from certain oil fields with various organic inhibitors was studied by applying potentiodynamic technique at pH 5.9. The inhibitors which were used include 2-methylbenzimidazole (I), 2-mercaptobenzimidazole (II), 2-mercapto-5-methylbenzimidazole (III), and 2-mercaptothiazole (IV). The inhibiting efficiency of the different additives was evaluated from their anodic and cathodic polarization curves at different temperatures. A comparative study of curve fitting procedures using the kinetic thermodynamic model and those utilizing well-known adsorption isotherms was undertaken. Three types of isotherms were used, Langmuir, Frumkin and Flory-Huggins isotherm. The results show that the kinetic-thermodynamic model and Flory-Huggins isotherms are more suitable to fit the data for the four inhibitors, at all applied temperatures. From the values of binding constants, K, the order of inhibitor efficiency is: III ...

2003-04-01

212

Comprehensive Approaches to Multiphase Flows in Geophysics - Application to nonisothermal, nonhomogenous, unsteady, large-scale, turbulent dusty clouds I. Hydrodynamic and Thermodynamic RANS and LES Models  

Energy Technology Data Exchange (ETDEWEB)

The objective of this manuscript is to fully derive a geophysical multiphase model able to ''accommodate'' different multiphase turbulence approaches; viz., the Reynolds Averaged Navier-Stokes (RANS), the Large Eddy Simulation (LES), or hybrid RANSLES. This manuscript is the first part of a larger geophysical multiphase project--lead by LANL--that aims to develop comprehensive modeling tools for large-scale, atmospheric, transient-buoyancy dusty jets and plume (e.g., plinian clouds, nuclear ''mushrooms'', ''supercell'' forest fire plumes) and for boundary-dominated geophysical multiphase gravity currents (e.g., dusty surges, diluted pyroclastic flows, dusty gravity currents in street canyons). LES is a partially deterministic approach constructed on either a spatial- or a temporal-separation between the large and small scales of the flow, whereas RANS is an entirely probabilistic ...

2005-09-05

213

X-ray studies of solid n-H/sub 2/  

Energy Technology Data Exchange (ETDEWEB)

Results of X-ray investigations of solid normal hydrogen are presented. Temperature dependences of the lattice parameteps, molar volumes, linear and volume expansion coefficients in the 2K-Tsub(melt) temperature range are obtaiped. An essential n-H/sub 2/ expansion anisotropy in the premelting temperature region is pointed out. It is shown that the hexagonal lattice parameter ratios over the whole investigated temperature range is considerably higher than for solid parahydrogen. A considerable difference in thermal expansion of normal hydrogen and parahydrogen in the low temperature region is revealed. It is caused by contribuation of a rotational subsystem, increasing with the temperature decrease to crystal expansion. A detailed analysis of solid n-H/sub 2/ thermodynamic properties is conducted. The data testifying to the presence of isomorphous phase transformation in the solid n-H/sub 2/ in the premelting temperature region are discussed.

1983-08-01

214

VC- and Cr{sub 3}C{sub 2}-doped WC-NbC-Co hardmetals  

Energy Technology Data Exchange (ETDEWEB)

This study compares the microstructure and mechanical properties of plain and 0.9 or 3.6 wt% VC- or Cr{sub 3}C{sub 2}-doped WC-12 wt% Co hardmetals with 40 wt% NbC, prepared by pulsed electric current sintering (PECS) in the solid state for 4 min at 1240 deg. C and conventional pressureless liquid phase sintering (CS) for 1 h at 1420 deg. C. The addition of VC or Cr{sub 3}C{sub 2} was found to inhibit grain growth of the residual WC grains, whereas the size of the solid solution (Nb,W,V/Cr)C grains was hardly influenced. The type of grain growth inhibitor and densification temperature however, strongly influenced the composition of the NbC solid solution formed, which was thermodynamically and experimentally assessed.

2008-09-22

215

User's guide to PROTOCOL, a numerical simulator for the dissolution reactions of inorganic solids in aqueous solutions  

Energy Technology Data Exchange (ETDEWEB)

This report provides a user's manual for PROTOCOL, a comprehensive coupled kinetic/equilibrium computer program for analyzing the dissolution reactions of solids with aqueous solutions, specifically applied to the potential corrosion of vitrified nuclear waste by groundwater. The capabilities and available options are summarized as well as instructions for setting up and running problems. Also described in this report and included in the PROTOCOL software package are MASTER, a master file of species thermodynamic data, MANEQL, a preprocessor program and POSTP, a postprocessor. POSTP provides offline plotting using the CRAY-1 DISSPLA 9.0 graphics library. PROTOCOL is operational on the CDC-7600 and CRAY-1 computers at the Lawrence Livermore National Laboratory. 7 references, 10 figures, 2 tables.

1984-10-01

216

Transmission electron microscopy characterization of laser welding cast Ni-based superalloy K418 turbo disk and alloy steel 42CrMo shaft  

Energy Technology Data Exchange (ETDEWEB)

Microstructure characterization is important for controlling the quality of laser welding. In the present work, a detailed microstructure characterization by transmission electron microscopy was carried out on the laser welding cast Ni-based superalloy K418 turbo disk and alloy steel 42CrMo shaft and an unambiguous identification of phases in the weldment was accomplished. It was found that there are {gamma}-FeCrNiC austenite solid solution dendrites as the matrix, (Nb, Ti) C type MC carbides, fine and dispersed Ni{sub 3} Al {gamma}' phase as well as Laves particles in the interdendritic region of the seam zone. A brief discussion was given for their existence based on both kinetic and thermodynamic principles.

2008-08-11

217

Transmission electron microscopy characterization of laser welding cast Ni-based superalloy K418 turbo disk and alloy steel 42CrMo shaft  

International Nuclear Information System (INIS)

Microstructure characterization is important for controlling the quality of laser welding. In the present work, a detailed microstructure characterization by transmission electron microscopy was carried out on the laser welding cast Ni-based superalloy K418 turbo disk and alloy steel 42CrMo shaft and an unambiguous identification of phases in the weldment was accomplished. It was found that there are #gamma#-FeCrNiC austenite solid solution dendrites as the matrix, (Nb, Ti) C type MC carbides, fine and dispersed Ni_3 Al #gamma#' phase as well as Laves particles in the interdendritic region of the seam zone. A brief discussion was given for their existence based on both kinetic and thermodynamic principles.

2008-08-11

218

Thermodynamics of aqueous magnesium chloride, calcium chloride, and strontium chloride at elevated temperatures  

International Nuclear Information System (INIS)

Heat capacities and densities of aqueous MgCl/sub 2/, CaCl/sub 2/, and SrCl/sub 2/ from the accompanying paper are combined with literature data up to 473 K to yield temperature-dependent equations by using the ion-interaction model of Pitzer. These heat capacity equations have been integrated to yield the enthalpy and the Gibbs energy. The enthalpy parameters for 298 K are evaluated in separate calculations using published high-temperature osmotic data as well as heats of dilution, while the Gibbs energy parameters for 298 K are taken from the literature. The range of validity of the final equations is described.

1987-01-01

219

Thermodynamic study of systems with lower critical solution temperatures: H_2O + (C_2H_5)_3N, D_2O + (C_2H_5)_3N  

International Nuclear Information System (INIS)

Molar excess enthalpies and molar excess volumes are reported for the systems H_2O + (C_2H_5)_3N and D_2O + (C_2H_5)_3N at temperatures below and above their lower critical solution temperatures. The molar excess enthalpies are slightly less exothermic for the D_2O system. The molar excess volumes of the H_2O and D_2O systems are within experimental error of one another. Compositions of conjugate solutions estimated from the calorimetric and volumetric measurements agree with those obtained from published liquid-liquid phase diagrams. (Auth.).

1979-01-01

220

Thermodynamic properties of binary mixtures containing cycloalkanones; Excess volumes of cycloalkanones + cyclohexane, + benzene, and + tetrachloromethane  

Energy Technology Data Exchange (ETDEWEB)

Molar excess volumes have been determined by means of a vibrating-tube densimeter for binary liquid mixtures of cycloalkanones (cyclopentanone and cyclohexanone) + cyclohexane, + benzene, and + tetrachloromethane. The V/sup E/ data are reported over the complete mole fraction range at 288.15, 298.15, and 308.15{Kappa}. The obtained excess volumes are positive for mixtures of cyclopentanone with cyclohexane and are negative for mixtures of the cycloalkanones with benzene and tetrachloromethane; for the system cyclohexanone-cyclohexane the V/sup E/ values are positive for a wide range of mole fraction, but at very low cyclohexane mole fraction an inversion of the sign of V/sup E/ is observed. The data show that in the considered range of temperature the values of the temperature coefficient ({partial derivative}V/sup E//{partial derivative}T) are negative for mixtures of the cycloalkanones with benzene and are almost zero for mixtures with cyclohexane and with tetrachloromethane.

1989-04-01

221

Thermal model and thermodynamic performance of molten salt cavity receiver  

British Library Electronic Table of Contents (United Kingdom)

The design of a global steady-state thermal model of a 100kWt molten salt cavity receiver was developed as part of the key project of the Ministry of Science and Technology of People's Republic of China (MOST). In the design process, the following factors were analyzed: receiver area, heat loss (convective, emissive, reflective and conductive), number of tubes in the receiver panel, tube diameter and receiver surface temperature. The model was also used to calculate the receiver performance of the Sandia National Laboratories' molten salt electric experiment (MSEE). In addition, the thermal performance of the designed molten salt cavity receiver is presented for a fixed outlet flow rate and a fixed output temperature.

2010-01-01

222

The influence of chemically active gas on the light emission of metallic targets bombarded by positive ions  

International Nuclear Information System (INIS)

The introduction of oxygen in the vicinity of a metallic target surface, bombarded with positive argon ions of twenty kiloelectron-volts, increases the number of sputtered atoms in the excited state. This phenomenon of exaltation, very sensitive in the case of nickel and aluminium, is much less marked in the case of molybdenum. Moreover, the emission of excited particles coming from the beam's ions is not modified. A quantum-mechanical model of a kinetic emission process, which permits the interpretation of the clean metallic target's emission phenomena, seems insufficient to explain all of the results obtained in the presence of oxygen. In this last case one can therfore use a thermodynamic model in which excited metallic particles can be formed directly by chemical surface reactions of neutralization or reduction. (orig.).

223

The efficiency of coal-fired combined-cycle powerplants  

Energy Technology Data Exchange (ETDEWEB)

Concepts involving combined gas-turbine/steam-turbine power-generation plants, in which the fuel gas for the gas turbine is produced via the gasification of coal, are now extremely advanced. This technology already permits efficiencies of around 50% current development targets view 65% as achievable. In conventional technology, efficiencies are tied to conditions, such as air and cooling-water temperatures, at the particular location. In combined-cycle power plants, the properties of the fuel coal also play an important part. There are, in face, coals which can be more advantageously used in a combined-cycle power plant than in a conventional one. These differences, combined with advantageous concepts for coal-fired combined-cycle power-generating plants, are presented and analyzed. Particular attention is devoted to individual losses occurring at coal conversion, thermodynamic cycles, integration of processes and internal consumptions. 14 refs., 14 figs., 4 tabs.

1996-12-01

224

The composition-explicit distillation curve technique: Relating chemical analysis and physical properties of complex fluids  

British Library Electronic Table of Contents (United Kingdom)

The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, wh...

2010-01-01

225

The compatibility of alloy 800 in HTR atmospheres  

International Nuclear Information System (INIS)

A thermodynamic analysis of the behaviour of Alloy 800 in helium based atmospheres relevant to the High Temperature Gas Cooled Reactor indicates that, depending upon the precise gas composition, oxidation and carburisation, or carburisation alone may be expected. The prime influence appears to be the moisture level. The morphology and structure of the reaction products are discussed. It is shown that the 'reactive' elements chromium, manganese, titanium and silicon are concentrated in the oxide scale which is normally duplex in structure. Aluminium oxide is formed at grain boundaries and in an internal oxidation zone together with titanium and sometimes silicon. In carburising conditions, mixed titanium-chromium carbides are formed. When this occurs, intergranular penetration is maximised. Weight gain data are assessed and briefly described and a tentative model for the mechanism of corrosion of Alloy 800 in HTR helium is proposed. Areas for further work are ...

226

Surface modification of the pure iron by the pulse plasma nitriding: Application of a kinetic model  

Energy Technology Data Exchange (ETDEWEB)

In this work, the pulse plasma nitriding process of pure iron is modelled using a kinetic model derived from the Fick's laws. This approach based on the error function model allows to simulate the growth kinetics of a biphase configuration consisting of {gamma}'-Fe{sub 4}N{sub 1-x} and {epsilon}-Fe{sub 2-3}N iron nitrides under specified conditions. By coupling the kinetics data about the diffusivities of nitrogen in {alpha}-Fe, {gamma}' and {epsilon} phases to the thermodynamic description of the Fe-N phase diagram, it is possible to evaluate the kinetic constant at each growing phase interface, the thickness of nitrided layer, and predict the nitrogen concentration profiles. The comparison between the experimental and theoretical results shows the reliability of the simulation results.

2007-07-25

227

Surface modification of the pure iron by the pulse plasma nitriding: Application of a kinetic model  

International Nuclear Information System (INIS)

In this work, the pulse plasma nitriding process of pure iron is modelled using a kinetic model derived from the Fick's laws. This approach based on the error function model allows to simulate the growth kinetics of a biphase configuration consisting of #gamma#'-Fe_4N_1_-_x and #epsilon#-Fe_2_-_3N iron nitrides under specified conditions. By coupling the kinetics data about the diffusivities of nitrogen in #alpha#-Fe, #gamma#' and #epsilon# phases to the thermodynamic description of the Fe-N phase diagram, it is possible to evaluate the kinetic constant at each growing phase interface, the thickness of nitrided layer, and predict the nitrogen concentration profiles. The comparison between the experimental and theoretical results shows the reliability of the simulation results.

2007-07-25

228

Surface energy driven crystallization of amorphous Pd{sub 81}Si{sub 19}  

Energy Technology Data Exchange (ETDEWEB)

In-situ TEM investigations during thermal treatment of amorphous Pd{sub 81}Si{sub 19} have been performed. It was found that crystalline nuclei are formed near the perforation edge of the hole produced by electrochemical polishing. After impinging with neighboring crystals, a crystallization front formed which was aligned parallel to the perforation edge. The crystallization front moved in the direction perpendicular to the perforation edge. Crystal growth was found to proceed faster in thinner parts of the specimen than in thicker parts. The results are described qualitatively within a thermodynamic model taking into account volume-, surface- and interfacial free energies and an appropriate specimen geometry.

1998-12-31

229

Superconducting A-15 compounds  

International Nuclear Information System (INIS)

The critical superconducting paramters of A-15 compounds are reviewed, and the trends analysed in order to predict maximum values. Experimental data on critical temperature is summarized and compared with theory. The ability to form the stoichiometric, well-ordered materials required for maximum Tsub(c) is discussed in terms of the thermodynamic stability of the A-15 phase. It is concluded that critical temperatures in excess of 25 K, in the A-15 structure, are unlikely. The upper critical field data show that, whereas the vanadium-based compounds are paramagnetically limited, the niobium-based compounds are not. The relation between critical current and microstructure is explored. Best data on critical current densities and ac losses is presented. Finally an account is given of the various methods by which actual conductors, both tapes and multifilamentary wires, are made. (author).

230

Study of azeotropic mixtures with the advanced distillation curve approach  

British Library Electronic Table of Contents (United Kingdom)

Classical methods for the study of complex fluid phase behavior include static and dynamic equilibrium cells that usually require vapor and liquid recirculation. These are sophisticated, costly apparatus that require highly trained operators, usually months of labor-intensive work per mixture, and the data analysis is also rather complex. Simpler approaches to the fundamental study of azeotropes are highly desirable, even if they provide only selected cuts through the phase diagram. Recently, we introduced an advanced distillation curve measurement method featuring: (1) a composition explicit data channel for each distillate fraction (for both qualitative and quantitative analysis), (2) temperature measurements that are true thermodynamic state points that can be modeled with an equation o...

2009-01-01

231

Studies on thermodynamic properties of III-V compounds by first-principles response-function calculation  

International Nuclear Information System (INIS)

The temperature dependences of the Grueneisen parameter, heat capacity, bulk modulus and linear thermal expansion coefficient of sixteen III-V zincblende compounds are studied by first-principles response-function calculations. The fundamental relationships among these physical parameters are explored. Negative thermal expansions at lower temperature are found in most of these III-V phases except for the nitrides and boron compounds. By analyzing the cell-volume dependences of the phonon spectrum, it is found that the phases with a negative thermal expansion show a significant acoustic phonon weakening at the X-point in their phonon dispersion, while slight weakening is only seen around the L-point for those boron phases. There is no sign of phonon weakening in the nitrides. (copyright 2009 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

2009-07-01

232

Stability of A-15 compounds in multifilamentary superconducting wires  

International Nuclear Information System (INIS)

With the preeminence of A-15 superconducting multifilamentary wires in magnet technology, it has become important to understand the thermodynamic factors influencing the formation of these compounds under solid-state reaction conditions. The six systems Nb--Sn, Nb--Ga, Nb--Ge, Nb--Al, V--Si, and V--Ga were prepared as single filament bronze wires and heat treated in an attempt to precipitate the appropriate A-15 compound. The compounds observed to form were categorized using a formation temperature ratio (stability index) based on the melting temperatures of the constituents which make up the single filament composites. This study has led to several predictions regarding the formation of A-15 compounds using a solid-state bronze diffusion technique. The results of experimentation based on these predictions are presented.

233

Source and mobility of minor and trace elements in a volcanic aquifer system: Mt. Vulture (southern Italy)  

British Library Electronic Table of Contents (United Kingdom)

In this paper we provide a geochemical investigation on 34 groundwater samples in the Mt. Vulture volcanic aquifer representing one of the most important groundwater resources of the southern Italy pumped for drinking and irrigation supply. The present study includes the first data on the abundance and mobility of minor and trace elements and the thermodynamic considerations on water-rock interaction processes in order to evaluate the conditions of alkali basalt weathering by waters enriched in magma-derived CO2. The results highlight the occurrence of two hydrofacies: bicarbonate alkaline-earth and alkaline waters deriving from low-temperature leaching of volcanic rocks of Mt. Vulture, and bicarbonate-sulfate-alkaline waters (high-salinity waters) related to prolonged water circulation in...

2011-01-01

234

Sorption of Brilliant Red HE-3B Reactive Dye from Aqueous Solution onto Seashells Waste: Equilibrium and Kinetic Studies  

British Library Electronic Table of Contents (United Kingdom)

The potential of waste seashells powder, as a new adsorbent for Brilliant Red HE-3B reactive dye removal from aqueous solutions, was examined by the batch technique. The Freundlich, Langmuir, and Dubinin-Radushkevich adsorption models were applied to describe the equilibrium sorption data and to determine the corresponding isotherm constants. The values of the thermodynamic parameters, ?G, ?H, and ?S, indicate that the sorption of reactive dye is a spontaneous and endothermic process. The kinetic data evaluated by pseudo-first order, pseudo-second order, and intraparticle diffusion kinetic models suggested that the sorption of reactive dye onto seashell is a complex process and both surface sorption and intraparticle diffusion contributes to the rate limiting step.

2011-01-01

235

Sensitivity analysis: Interaction of DOE SNF and packaging materials  

International Nuclear Information System (INIS)

A sensitivity analysis was conducted to evaluate the technical issues pertaining to possible destructive interactions between spent nuclear fuels (SNFs) and the stainless steel canisters. When issues are identified through such an analysis, they provide the technical basis for answering what if questions and, if needed, for conducting additional analyses, testing, or other efforts to resolve them in order to base the licensing on solid technical grounds. The analysis reported herein systematically assessed the chemical and physical properties and the potential interactions of the materials that comprise typical US Department of Energy (DOE) SNFs and the stainless steel canisters in which they will be stored, transported, and placed in a geologic repository for final disposition. The primary focus in each step of the analysis was to identify any possible phenomena that could potentially compromise the structural integrity of the canisters and to assess their ...

1999-06-06

236

Research on Actinides in Nuclear Fuel Cycles  

International Nuclear Information System (INIS)

The electrochemical/spectroscopic integrated measurement system was designed and set up for spectro-electrochemical measurements of lanthanide and actinide ions in high temperature molten salt media. A compact electrochemical cell and electrode system was also developed for the minimization of reactants, and consequently minimization of radioactive waste generation. By applying these equipment, oxidation and reduction behavior of lanthanide and actinide ions in molten salt media have been made. Also, thermodynamic parameter values are determined by interpreting the results obtained from electrochemical measurements. Several lanthanide ions exhibited fluorescence properties in molten salt. Also, UV-VIS measurement provided the detailed information regarding the oxidation states of lanthanide and actinide ions in high temperature molten salt media

2007-04-01

237

Removal of reactive dye Brilliant Red HE-3B from aqueous solutions by industrial lignin: Equilibrium and kinetics modeling  

British Library Electronic Table of Contents (United Kingdom)

The lignin, one of the main by-products of the pulp industry, can be used to remove dyes from textile wastewaters. The potential of the lignin for Brilliant Red HE-3B reactive dye removal from aqueous solutions at pH=1.5 was examined by the batch technique as a function of dye concentration, solution temperature and contact time. The Freundlich, Langmuir, Dubinin-Radushkevich and Tempkin adsorption isotherms were used to describe the data of sorption equilibrium and to determine its corresponding isotherm constants. The thermodynamic parameters DG, DH and DS were also determined; the obtained values show that the sorption of reactive dye on lignin is a spontaneous, endothermic and entropy-driven process. The kinetic of reactive dye sorption was analyzed using the pseudo-first order and pse...

2010-01-01

238

Relating Complex Fluid Composition and Thermophysical Properties with the Advanced Distillation Curve Approach  

British Library Electronic Table of Contents (United Kingdom)

Complex fluids have long posed a significant challenge in our ability to characterize and model fluid properties. Here, we consider complex fluids to be mixtures with many components that can differ significantly in polarity and polarizability. The penultimate complex fluid is crude oil, although many other fluids such as finished fuels are also highly complex. We have recently introduced a measurement strategy that can simplify these efforts and provides the added potential of linking chemical composition (i.e. analytical) information with physical property information. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic and transport properties for such complex heterogeneous streams. The technique is based on the advanced distillation cu...

2010-01-01

239

Prediction and Preliminary Standardization of Fire Debris Constituents with the Advanced Distillation Curve Method*  

British Library Electronic Table of Contents (United Kingdom)

Abstract: The recent National Academy of Sciences report on forensic sciences states that the study of fire patterns and debris in arson fires is in need of additional work and eventual standardization. We discuss a recently introduced method that can provide predicted evaporation patterns for ignitable liquids as a function of temperature. The method is a complex fluid analysis protocol, the advanced distillation curve approach, featuring a composition explicit data channel for each distillate fraction (for qualitative, quantitative, and trace analysis), low uncertainty temperature measurements that are thermodynamic state points that can be modeled with an equation of state, consistency with a century of historical data, and an assessment of the energy content of each distillate fraction...

2011-01-01

240

Nuclear Battery As An Alternative Source Of Direct Current Electricity  

International Nuclear Information System (INIS)

Nuclear battery produces electricity by converting radiation energy into electrical energy. Energy carried by particles emitted by a radioisotope nuclei is much higher than that released in chemical reaction. Reaction with nuclei can potentially produce electricity thousand to million times higher than that of chemical reaction. Unlike NPP that produces large scale alternating current using thermodynamic cycle such as Rankine or Brayton cycles, nuclear battery is designed like other battery or fuel cell, to produce direct current (DC). However, both battery utilize the energy or particles radiating from nuclei of a radioisotope. In this paper, several types of nuclear battery as an energy converter are discussed, including their working mechanisms and examples. Nuclear battery is potential to become a long-life power source for use in wide range of applications, including in medical areas and for instruments in remote areas and outer space.

2000-11-01

241

Nomographs for the optimum solar pond driven LiBr/ZnBr sub 2 /CH sub 3 OH absorption-refrigeration system  

Energy Technology Data Exchange (ETDEWEB)

The paper presents a procedure for the calculation of an absorption-refrigeration plant that uses an LiBr/ZnBr{sub 2}/CH{sub 3}OH solution and is driven throughout the year by heat received from a solar pond. The calculations for the solar pond are based on a finite-difference solution of the transient heat conduction differential equation during the year, and the operation of the refrigeration unit is simulated by the use of functions describing the thermodynamic behaviour of the working medium. On the basis of the procedure devised, correlations and nomographs are developed that describe the seasonally optimum operation of the proposed composite system. The nomographs may be employed for a first estimation in the design of such systems. (Author).

1992-07-01

242

Minimum work requirement for water production in humidification?dehumidification desalination cycle  

British Library Electronic Table of Contents (United Kingdom)

This paper presents a theoretical analysis based on the second law of thermodynamics for estimating the minimum work required for air dehumidification process to produce potable water in a humidification-dehumidification (HD) desalination cycle. The general air dehumidification process is analyzed through an equivalent path consisting of an isothermal dehumidification followed by a sensible cooling Dehumidification is treated as separation process of an ideal mixture consisting of two components, namely air and water vapor. The present analysis assumes the dead state to be the dry ambient and the final state for complete dehumidification to be saturated air at 0.01?C. Contours of the minimum work are plotted on psychrometric chart and presented as a handy engineering tool to estimate the p...

2007-01-01

243

Metal ion complexation by ionizable crown ethers  

Energy Technology Data Exchange (ETDEWEB)

Research conducted since the last progress report includes the synthesis and characterization of twenty three novel proton-ionizable crown ether compounds. Metal ion complexation behavior of new and previously-synthesized proton-ionizable crown ether compounds has been probed by solvent extraction and transport across polymer-supported liquid membranes. The behavior of neutral polyether and proton-ionizable polyether ligands in polymeric membrane electrodes has been assessed. Studies of the use of proton-ionizable crown ethers for separation of lithium isotopes were initiated. Also, the thermodynamics of interactions between alkali metal cations and ionized crown ethers have been probed by titration calorimetry. 10 refs., 1 tab.

1989-09-01

244

MODELING AN ION EXCHANGE PROCESS FOR CESIUM REMOVAL FROM ALKALINE RADIOACTIVE WASTE SOLUTIONS  

Energy Technology Data Exchange (ETDEWEB)

The performance of spherical Resorcinol-Formaldehyde ion-exchange resin for the removal of cesium from alkaline radioactive waste solutions has been investigated through computer modeling. Cesium adsorption isotherms were obtained by fitting experimental data using a thermodynamic framework. Results show that ion-exchange is an efficient method for cesium removal from highly alkaline radioactive waste solutions. On average, two 1300 liter columns operating in series are able to treat 690,000 liters of waste with an initial cesium concentration of 0.09 mM in 11 days achieving a decontamination factor of over 50,000. The study also tested the sensitivity of ion-exchange column performance to variations in flow rate, temperature and column dimensions. Modeling results can be used to optimize design of the ion exchange system.

2008-08-26

245

Kinetic and mass transfer analyses of metal biosorption by Caulerpa lentillifera  

British Library Electronic Table of Contents (United Kingdom)

This study examined kinetics and mass transfer in the biosorption of heavy metals onto Caulerpa lentillifera. The sorption capacity of Cu^2^+, Pb^2^+ and Cd^2^+ from aqueous solution increased with initial metal concentration and decreased with biosorbent dose. Kinetic data were well described using the pseudo-second-order model. Results showed that both external mass transfer and intraparticle diffusion were rate limiting steps in the biosorption process. Activation energy of biosorption kinetics fell in the range of 3-13kJ/mol. The biosorption of Cu^2^+, Cd^2^+ and Pb^2^+ on the biomass correlated well with the Langmuir isotherm (R^2>0.99) with maximum sorption capacities at 293K of 0.169, 0.085 and 0.177mol/kg for Cu^2^+, Cd^2^+ and Pb^2^+ ions, respectively. Thermodynamic studies demon...

2011-01-01

246

Investigation by physical methods of the possible role of telomeres in DNA in aging process  

CERN Document Server

The interaction energies between the different types of bases of a single strand of DNA molecule have been calculated. Using these original values of energies the harmonic behavior of a number of base patterns of DNA has been studied. In view of the great interest aroused by the discovery of the role of the telomere segment of the DNA in the replication process and its possible link with the aging process, we have investigated, with simple models, the harmonic behavior of the telomeric pattern of bases as well as the thermodynamic response in the biological system. With these results a conclusion on the probable role of the telomeric pattern on aging has also been drawn. Here the calculated values of harmonic frequencies of the telomeric pattern of bases and of other possible patterns show that the telomeric pattern is associated with the highest vibrational frequency among all patterns of base combinations at the replication end of DNA. This seems to suggest that ...

2003-01-01

247

Interaction of insulin with a triblock copolymer of PEG-(fumaric-sebacic acids)-PEG: Thermodynamic and spectroscopic studies  

British Library Electronic Table of Contents (United Kingdom)

A comparative study on the interaction of (PEG-co-P(FA/SC)-co-PEG) triblock copolymer with bovine and human insulins was carried out using isothermal titration calorimetry (ITC), circular dichroism (CD), and fluorescence spectroscopy. ITC data show that the copolymer has a low affinity for both proteins, with an association constant of about 7?9?103?M ?1. Results also show that binding is enthalpically driven, and disfavored by conformational entropy. CD spectroscopy studies reveal a small increase in the helical content and a decrease in ?-structure as well as random coil in both proteins. Acrylamide quenching experiments display reduced accessibility of tyrosines, while intrinsic fluorescence spectra show lower tyrosine emission. Furthermore, thermal unfolding experiments, studied by far...

2007-01-01

248

Instanton fermionic zero mode at finite temperature and chemical potential  

CERN Document Server

In QCD the spontaneous breaking of chiral symmetry and the U(1) axial anomaly can be understood considering instantons as the gauge configurations mediating quark-quark interaction. The existence of an exact zero mode solution of the Dirac equation in the field of a single instanton is the fundamental ingredient of this analysis. Explicit expressions for psi_0 are available for T different from 0 and mu=0, and mu different from 0 and T=0. In this paper we derive the solution for the most general case T different from 0 and mu different from 0. This new result opens the possibility of investigating the QCD dynamics associated with instantons in the full phase diagram. As a first step in this direction we will study the dependence of the instanton density from the thermodynamic coordinates.

2011-01-01

249

Influence of pH on electrochemical properties of passive films formed on Alloy 690 in high temperature aqueous environments  

Energy Technology Data Exchange (ETDEWEB)

Passive films formed on Alloy 690 in different pH solutions at high temperatures were studied by potentiodynamic polarization, Auger electron spectroscopy, thermodynamic diagrams and the Mott-Schottky relation. The chemical compositions and electronic structures of the passive films were found to be strongly pH-dependent. In alkaline solutions, a secondary passivation was clearly observed on potentiodynamic polarization curves. The passive films were a mixture of Cr{sub 2}O{sub 3} and FeCr{sub 2}O{sub 4} below the flat band potential of nickel oxide and were NiFe{sub 2}O{sub 4} above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.

2009-12-15

250

Influence of pH on electrochemical properties of passive films formed on Alloy 690 in high temperature aqueous environments  

International Nuclear Information System (INIS)

Passive films formed on Alloy 690 in different pH solutions at high temperatures were studied by potentiodynamic polarization, Auger electron spectroscopy, thermodynamic diagrams and the Mott-Schottky relation. The chemical compositions and electronic structures of the passive films were found to be strongly pH-dependent. In alkaline solutions, a secondary passivation was clearly observed on potentiodynamic polarization curves. The passive films were a mixture of Cr2O3 and FeCr2O4 below the flat band potential of nickel oxide and were NiFe2O4 above this potential. Electronic structure models, describing the electrochemical properties of the passive films, are proposed and discussed.

2009-12-01

251

Influence of Pressurisation on SOFC Performance and Durability: ATheoretical Study  

British Library Electronic Table of Contents (United Kingdom)

Abstract Hybrid power plants consisting of a solid oxide fuel cell (SOFC) and a gas turbine show high electrical efficiencies, however require pressurisation of the SOFC to several bar. This paper presents a theoretical investigation of the pressure influence on SOFC performance and durability. A two-dimensional elementary kinetic model is used to predict the performance of a single cell in the pressure range of 1-20-bar. The influence of pressure on thermodynamics, reaction kinetics, porous electrode diffusion, channel transport and efficiency is assessed. It was found that polarisation resistance decreases with increasing pressure due to increased diffusion through porous electrodes and a higher electrode surface coverage with reactant species. Furthermore, open-circuit voltage increases...

2011-01-01

252

Hydriding properties of a mechanically milled Mg-50 wt.% ZrFe{sub 1.4}Cr{sub 0.6} composite  

Energy Technology Data Exchange (ETDEWEB)

The ball-milling method was used to produce Mg-50 wt.% ZrFe{sub 1.4}Cr{sub 0.6} composite. The thermodynamic, kinetic, and cycling properties, as well as the resistance to oxidation were examined. This composite possesses excellent kinetic properties, even at moderate temperature. Scanning electron microscopy, energy-dispersive spectrum, transmission electron microscopy and X-ray diffraction were used to characterize the composite before and after hydriding. The fine ZrFe{sub 1.4}Cr{sub 0.6} particles covering Mg particles acting as a ''catalytic film'', a significant amount of imperfections and some alloy powder in the Mg matrix introduced by ball milling all contributed to the enhanced absorption/desorption rate. (orig.)

2000-02-02

253

High pressure in situ diffraction studies of metal-hydrogen systems  

British Library Electronic Table of Contents (United Kingdom)

''Hybrid'' hydrogen storage, where hydrogen is stored in both the solid material and as a high pressure gas in the void volume of the tank can improve overall system efficiency by up to 50% compared to either compressed hydrogen or solid materials alone. Thermodynamically, high equilibrium hydrogen pressures in metal-hydrogen systems correspond to low enthalpies of hydrogen absorption-desorption. This decreases the calorimetric effects of the hydride formation-decomposition processes which can assist in achieving high rates of heat exchange during hydrogen loading-removing the bottleneck in achieving low charging times and improving overall hydrogen storage efficiency of large hydrogen stores. Two systems with hydrogenation enthalpies close to -20kJ/mol H2 were studied to investigate the h...

2011-01-01

254

High efficiency chemical energy conversion system based on a methane catalytic decomposition reaction and two fuel cells. Part II. Exergy analysis  

Energy Technology Data Exchange (ETDEWEB)

A methane catalytic decomposition reactor-direct carbon fuel cell-internal reforming solid oxide fuel cell (MCDR-DCFC-IRSOFC) energy system is highly efficient for converting the chemical energy of methane into electrical energy. A gas turbine cycle is also used to output more power from the thermal energy generated in the IRSOFC. In part I of this work, models of the fuel cells and the system are proposed and validated. In this part, exergy conservation analysis is carried out based on the developed electrochemical and thermodynamic models. The ratio of the exergy destruction of each unit is examined. The results show that the electrical exergy efficiency of 68.24% is achieved with the system. The possibility of further recovery of the waste heat is discussed and the combined power-heat exergy efficiency is over 80%. (author)

2010-10-01

255

High efficiency chemical energy conversion system based on a methane catalytic decomposition reaction and two fuel cells. Part II. Exergy analysis  

British Library Electronic Table of Contents (United Kingdom)

A methane catalytic decomposition reactor-direct carbon fuel cell-internal reforming solid oxide fuel cell (MCDR-DCFC-IRSOFC) energy system is highly efficient for converting the chemical energy of methane into electrical energy. A gas turbine cycle is also used to output more power from the thermal energy generated in the IRSOFC. In part I of this work, models of the fuel cells and the system are proposed and validated. In this part, exergy conservation analysis is carried out based on the developed electrochemical and thermodynamic models. The ratio of the exergy destruction of each unit is examined. The results show that the electrical exergy efficiency of 68.24% is achieved with the system. The possibility of further recovery of the waste heat is discussed and the combined power-heat e...

2010-01-01

256

Formation of AlN-polytypoid phases during #alpha#-SiAlON decomposition  

International Nuclear Information System (INIS)

Phase transformations from #alpha#- to #beta#-SiAlONs (i.e., from #alpha#' to #beta#') have been recently reported in a number of rare-earth SiAlON systems during postsintering heat treatment. In the present work, this transformation process in a Sm (#alpha# + #beta#)-SiAlON material is studied by using XRD, TEM, and EDS X-ray mapping techniques. It is observed that in addition to the formation of #beta#' and M' phases, the #alpha#'-to-#beta#' transformation is accompanied by a significant increase in the amount of an AlN-polytypoid phase. The results suggest that some #alpha#' phases are thermodynamically unstable at temperatures lower than the material sintering temperature and will decompose when conditions allow. For the composition studied in this work, the #alpha#-SiAlON decomposition can be described in general as #alpha#' #-># #beta#' + M' + AlN polytypoid.

257

First-order kinetics-controlled multiple species reactive transport of dissolved organic compounds in groundwater: Development and application of a numerical model  

Energy Technology Data Exchange (ETDEWEB)

Reactive chemical transport models developed over the past decade have generally relied on the assumption that local thermodynamic equilibrium is achieved at all times between aqueous species in a given system. Consequently, homogeneous aqueous systems characterized by a number of kinetically slow reactions, particularly problems involving organic species, cannot be satisfactorily modeled. In this study, we present a prototype computer model, KINETRAN, which is designed to handle kinetically-controlled homogeneous reactions in the aqueous phase, along with the transport of the various species involved, through geologic media. 31 refs., 53 figs., 10 tabs.

1990-05-01

258

First principles investigations of formation of ordered omega phases in Zr-Al alloys  

International Nuclear Information System (INIS)

First-principles density functional theory (DFT) based calculations were performed to study the electronic and cohesive properties of all the intermediate ordered phases appearing in the transformation from bcc-based #beta# to hexagonal ordered #omega# phase in Zr_3Al alloy. Full-potential linear augmented plane wave (FPLAPW) method under the GGA was employed to establish the stability hierarchy and structure-property correlations. Further, effective pair potentials upto the fourth nearest neighbours were extracted, which, subsequently, were used for the thermodynamics analysis of the thermally-induced #beta##->##omega# transformation. The lattice collapse mechanism involving the concept of the onset of a displacement wave where the extent of collapse is viewed as an amplification of the displacement wave was employed for further analysis. (author)

2005-12-05

259

Example of second-law efficiency of solar-thermal cavity receivers  

Energy Technology Data Exchange (ETDEWEB)

Properly quantified performance of a solar-thermal cavity receiver must not only account for the energy gains and losses as dictated by the First Law of thermodynamics, but it must also account for the quality of that energy. Energy quality can only be determined from the Second Law. In this paper, an equation developed for the Second-Law efficiency of a cavity receiver is presented as an evolution from the definition of available energy or ''availability'' (occasionally called exergy). The variables required are all either known or readily determined. The importance of considering the Second-Law is emphasized by a comparison of the First- and Second-Law efficiencies around an example of data collected from two receivers that were designed for different purposes, where the attempt was made to demonstrate that a Second-Law approach to quantifying the performance of a solarthermal cavity receiver lends more complete insight than ...

1986-02-01

260

Dynamic optimization of the benzene extractive distillation unit  

Scientific Electronic Library Online (English)

Abstract in english A mathematical model has been developed for describing the dynamic operation of the N-formylmorpholine extractive distillation column and the corresponding solvent recovery column in the benzene extraction plant. The NRTL equation was used to calculate the equilibrium and thermodynamic properties of the mixtures. The validity of the model in terms of temperature, pressure and split fraction was examined using actual plant data at steady-state conditions. Comparison betwee (more) n model results and plant data shows good consistency. In order to improve the control of the process and selection of the optimal control strategy, the model was used to find the optimum values of the constants of the controllers with Nelder-Mead algorithm during unsteady-state operation by minimizing the deviation from steady-state conditions. The outcome of this study could be used by operators and engineers to increase the productivity of the unit.

2008-12-01

261

Direct solar thermal-to-electric energy conversion using thermophotovoltaics  

Energy Technology Data Exchange (ETDEWEB)

Thermophotovoltaic energy conversion achieves direct conversion of thermal energy to electricity without the need for complex dynamic machinery operating in one of several possible thermodynamic cycles. This paper presents an analysis of a hybrid solar thermophotovoltaic (STPV) energy conversion system in which a receiver/photovoltaic (PV) array subsystem is powered by either a solar concentrator or a fossil fuel combustion source. The overall TPV system efficiency is calculated using an appropriate selective emitter and a spectrally tuned solar cell designed to achieve maximum conversion efficiency in the narrow band emitted by the selective emitter. Two limiting cases are examined to place upper and lower bounds on system performance. The estimates of system performance are based on actual experimental data from PV cells and selective emitters.

1995-10-01

262

Development of polarizable chloroform potential and its applications to chloroform-water liquid-liquid interface  

Energy Technology Data Exchange (ETDEWEB)

An all-atom polarizable chloroform (CHCl{sub 3}) potential model has been developed using the classical molecular dynamics techniques. This potential is shown to reproduce reasonably well the structural, dynamical, and thermodynamic properties of bulk liquid CHCl{sub 3} at various temperatures and pressures. With this potential, we carried out computer simulations to investigate the CHCl{sub 3}-H{sub 2}O liquid/liquid interface. Detailed structural and electrical properties at the interface will be analyzed via the density profile, radial distribution functions, molecular orientation, hydrogen bonding, and the z-dependent dipole distributions. Comparison will also be made to the results of the CCl{sub 4}-H{sub 2}O liquid/liquid interface.

1996-10-01

263

Design properties of coal liquids: edited workshop proceedings  

Science.gov (United States)

The advent of synfuels will require a large measurement and modeling effort of new thermodynamic and physical properties. These data are required for the economic design and operation of proposed synfuel plants. The areas of data need are well defined. The pace of measurement will be restricted by laboratory availability. The cost for the required data and for their correlation and modeling will be substantial. And finally, the cost of doing all this work will be substantial. The plants we are talking about are energy plants and synfuel plants. They are energy intensive plants, and as such, they offer the prospects for a great deal of energy saving. To do so requires good data. In those critical areas where we start hunting the energy hogs, we will find that with +-20% data those hogs are pretty well hidden.

1981-08-01

264

Design of air-conditioning installations; Conception des installations climatiques et de conditionnement de l'air  

Energy Technology Data Exchange (ETDEWEB)

This guidebook concerns the design of air-conditioning and air-treatment installations in recent and old buildings. The design of indoor atmosphere treatment systems is based on a rigorous and safe methodology. The following aspects are reviewed: situation of ambient air treatment, different aspects of a project, humid-air technique, principles of air treatment, basic conditions for a successful project, determination of enthalpy and hydric loads of rooms, design of ambient treatment systems, cold water production using a thermodynamical system, aeraulics, hydraulics, acoustics, logics of operation, forecasting of energy consumptions, global management of air-conditioning installations, ambient air-treatment systems. (J.S.)

1999-07-01

265

Composition, morphology, properties of coal fly ash microspheres and their application for conditioning liquid radioactive waste  

International Nuclear Information System (INIS)

Using methods of the Moessbauer spectroscopy, scanning electron microscopy, and thermodynamic analysis of phase formation in silicate multi-component melts, the detailed study of composition, morphology, and properties of fly ash microspheres resulting from combustion of three coals (Irsha-Borodinskii, Kuznetskii and Ekibastuzskii) was carried out. About 60 microspherical products with an iron content of 2-94 wt.% Fe_2O_3 were obtained. The ranges of microsphere composition, suitable for liquid radioactive waste solidification in the forms of iron phosphate (36-94 wt.% Fe_2O_3) and aluminosilicate (2-20 wt.% Fe_2O_3) ceramics were determined. The possibility of producing porous materials and specific microspherical sorbents, based on coal fly ash cenospheres and their application for mobilisation of liquid radioactive waste solidification was demonstrated. (author)

266

CO{sub 2} CAPTURE BY ABSORPTION WITH POTASSIUM CARBONATE  

Energy Technology Data Exchange (ETDEWEB)

The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO{sub 3} promoted by piperazine. Thermodynamic modeling predicts that the heat of desorption of CO{sub 2} from 5m K+/2.5 PZ from 85 kJ/mole at 40 C to 30 kJ/mole at 120 C. Mass transfer modeling of this solvent suggests that carbonate and general salt concentration play a major role in catalyzing the rate of reaction of CO{sub 2} with piperazine. Stripper modeling suggests that with the multipressure stripper, the energy consumption with a generic solvent decreases by 15% as the heat of desorption is decreased from 23.8 to 18.5 kcal/gmol. A second pilot plant campaign with 5m K+/2.5 PZ was successfully completed.

2005-01-31

267

CO2 maritime transportation  

British Library Electronic Table of Contents (United Kingdom)

The objective of this study is to describe the complete transport chain of CO2 between capture and storage including a ship transport. This last one is composed by the following steps:Shore terminal including the liquefaction, temporary storage and CO2 loading. Ship with a capacity of 30,000m^3. On or off shore terminal including an unloading system, temporary storage and export towards the final storage. Between all the possible thermodynamic states, the liquid one is most relevant two options are compared in the study (-50^oC, 7bar) and (-30^oC, 15bar). The ship has an autonomy of 6 days, is able to cover 1000km with a cargo of 2.5Mt/year. Several scenarios are studied varying the geographical position of the CO2 source, the number of harbours and the way the CO2 is finally stored. Depen...

2010-01-01

268

Assessment of the adsorption kinetics, equilibrium and thermodynamic for the potential removal of reactive red dye using eggshell biocomposite beads  

British Library Electronic Table of Contents (United Kingdom)

Immobilized eggshell with a polymer mixture of alginate and polyvinyl alcohol was applied as a biocomposite adsorbent (ESC) for the adsorption of C.I. Remazol Reactive Red 198 from aqueous solution. ESC was characterized using XRD, TGA, FTIR and SEM. The Red dye adsorption onto the ESC was investigated in a batch system with respect to initial dye concentration, pH, contact time, agitation speed, solution temperature and biocomposite dosage. The prepared biocomposite exhibits high efficiency for red dye adsorption and the equilibrium states could be achieved in 3h for the different studied initial dye concentrations. The equilibrium isotherm study indicated that sorption data were analyzed and fitted well by both Langmuir and Temkin models compared to Freundlich model. The maximum monolaye...

2011-01-01

269

Anomalous properties of the local dynamics in polymer glasses  

CERN Document Server

The emergence of nanoscience has increased the importance of experiments able to probe the very local structure of materials, especially for disordered and heterogeneous systems. This is technologically important; for example, the nanoscale structure of glassy polymers has a direct correlation with their macroscopic physical properties. We have discovered how a local, high frequency dynamic process can be used to monitor and even predict macroscopic behavior in glassy polymers. Polyvinylethylenes vitrified by different chemical and thermodynamic pathways exhibit different densities in the glassy state. We find that the rate and amplitude of a high frequency relaxation mode (the Johari-Goldstein process involving local motion of segments of the chain backbone) can either correlate or anti-correlate with the density. This implies that neither the unoccupied (free) volume nor the configurational entropy governs the local dynamics in any general sense. Rather it is the ...

2008-01-01

270

Analysis of self-heating related instability in n-channel polysilicon thin film transistors fabricated on polyimide  

Energy Technology Data Exchange (ETDEWEB)

In this work, we investigated self-heating related instability in polysilicon thin film transistors (poly-Si TFTs) fabricated on polyimide (PI) substrates. Indeed, when Joule heating becomes relevant, the temperature of the active layer can substantially rise, since the devices are fabricated on thermally insulating substrates. As a result, electrical instability is triggered and attributed to the generation of interface states, due to the Si-H bond breaking, and charge trapping into the gate insulator. In addition, by using 3-dimensional numerical simulations, coupling the thermodynamic and transport models, we analyzed the temperature distribution of the device under operating conditions and found that self-heating is more severe for devices fabricated on plastic substrates.

2009-10-01

271

An integrated nuclear electro-thermal engine concept for geostationary missions  

International Nuclear Information System (INIS)

A preliminary design for a nuclear electric 'Space Tug' is proposed for use in conjunction with the American Space Shuttle for high energy missions. The vehicle would employ a SNAP 10A/2 or SNAP 8 nuclear reactor derivative for its power supply and slush hydrogen as the working fluid for the electrothermal thrusters. A thermodynamic conversion cycle would be employed for electrical power generation, for which the hydrogen working fluid would perform the duty of the heat sink. The cycle would eliminate the need for heavy waste radiators and improve the overall thermal efficiency. The vehicle promises a considerable payload advantage over a chemical recoverable Tug for geostationary missions. (orig.).

1974-10-14

272

Adsorption of 1-butanethiol from kerosene oil and red mud  

Energy Technology Data Exchange (ETDEWEB)

Although sulfur is present in many forms in kerosene, mercaptans are most objectionable due to their obnoxious odour and corrosive action. In this study, removal of one of the mercaptans has been reported, using red mud as an unconventional adsorbent. Red mud is a waste product from aluminium producing industries and has been used as an adsorbent for the removal of sulfur compounds as well as for other purposes. Adsorption studies described in this paper indicate that low concentration and high temperature favour the removal of 1-butanethiol from kerosene oil by adsorption on red mud. A first order mechanism has been proposed to describe the adsorption in the present system. Equilibrium data at different temperatures fit well in the Langmuir isotherm equation. Thermodynamic parameters for the present system indicate the feasibility of removal of 1-butanethiol from kerosene oil by adsorption on red mud. 10 refs., 4 figs. 3 tabs.,

1988-06-01

273

A parametric study on the exergoeconomic assessment of a vertical ground-coupled (geothermal) heat pump system  

Energy Technology Data Exchange (ETDEWEB)

An exergoeconomic model of a vertical ground-source heat pump residential heating system presented in this study uses exergy and cost energy mass (EXCEM) methods. The data obtained from a ground-source heat pump (GSHP) residential heating system installed at the Solar Energy Institute, Ege University, Turkey, are utilized for calculations at different reference temperature values in the range 0-25{sup o}C. The performance of the geothermal heat pump residential heating system is evaluated to indicate how exergoeconomic parameter values change with system. We also undertake a parametric study to investigate how varying reference temperatures will affect the exergoeconomic analysis of the GSHP system. A correlation between the ratio of thermodynamic loss rate to capital cost and reference state temperature is developed. (author)

2007-03-15

274

A new method for adiabatic flame temperature estimations of hydrocarbon fuels  

Energy Technology Data Exchange (ETDEWEB)

This paper presents the application of artificial neural networks to adiabatic flame temperature prediction of hydrocarbon fuels. The investigation was conducted over a wide range of operating conditions in terms of fuel composition, pressure and temperature of reactants, fuel-air equivalence ratio and fuel vapour fraction. Several neural network models for predicting the flame temperature for different applicable fuel ranges were built and examined. The proper preparation of network training data and the appropriate choice of network parameters for achieving better prediction accuracy are discussed. The neural network prediction results were compared with those calculated by a thermodynamic and chemical equilibrium-based computer code - the NASA program CET89. It was shown that trained neural network models can provide the adiabatic flame temperature prediction with a good level of accuracy over a wide range of operating conditions. 16 refs., 5 figs., 1 tab.

1999-03-01

275

A comparison between steam injection cycle and combined cycle by energy balance  

International Nuclear Information System (INIS)

This paper reports on steam injection cycle which is similar to supplementary fired combined cycle, but for the utilized steam medium produced by HRSG, its temperature is higher and pressure is lower than in the combined cycle. In comparison with the thermodynamic advantage of the two cycles, a clear understanding of physical concept can be gotten simply by energy balance. The difference of total power output between them is subtraction of enthalpy difference of exhaust steam and feed water of HRSG in steam injection cycle from the rejected heat by water coolant of condenser in combined cycle, when using the identical gas turbine and the same amount of total fuel consumption. In general case, formulas and data are given to indicate this comparison by the ratio of steam mass flow supplied by HRSG of the two cycles. The analysis of Cheng Cycle Series 7 is applied as an example to give the practical result.

1989-06-05

276

A Model for Chlorine Dioxide Delignification of Chemical Pulp  

British Library Electronic Table of Contents (United Kingdom)

A phenomenon based model for chlorine dioxide delignification of chemical pulp is introduced. The pulp suspension environment is modeled using the concept of two liquid phases, one inside and the other external to the fiber wall. Physico-chemical processes taking place during delignification are implemented with thermodynamic, mass transfer and reaction kinetic models. A broad library of chemical reactions is introduced. Inclusion of each reaction is justified. The model response is tested against experimental laboratory delignification results (o-delignified birch pulp). The experimental data consists of kappa number, hexenuronic acid, inorganic oxy-chlorine compound, and organochlorine (AOX, OX) measurements at several time points during five delignification experiments. The model predic...

2010-01-01

277

Thermodynamics of aqueous methyldiethanolamine (MDEA) and methyldiethanolammonium chloride (MDEAH{sup +}Cl{sup -}) over a wide range of temperature and pressure: Apparent molar volumes, heat capacities, and isothermal compressibilities  

Energy Technology Data Exchange (ETDEWEB)

Apparent molar volumes of aqueous methyldiethanolamine and its salt were determined with platinum vibrating tube densitometers over a range of temperatures from 283K=<T=<576K and at pressures from 0.1MPa to 20MPa. Apparent molar heat capacities were obtained using a Sodev Picker flow microcalorimeter at a pressure of 0.1MPa and within the temperature range of 283K=<T=<328K. Apparent molar adiabatic and isothermal compressibilities at a pressure of 0.1MPa were obtained at temperatures from 283K=<T=<313K with speed of sound measurements. The experimental results were extrapolated to infinite dilution to obtain values for the standard partial molar volumes V{sup o}, heat capacities C{sub p}{sup o}, and isothermal compressibilities {kappa}{sub T}{sup o}. The standard partial molar volumes V{sup o} for the neutral amine and its salt show increasingly positive and negative values, respectively, at high temperatures and pressures, as predicted by ...

2006-08-15

278

Thermodynamics of aqueous methyldiethanolamine (MDEA) and methyldiethanolammonium chloride (MDEAH"+Cl"-) over a wide range of temperature and pressure: Apparent molar volumes, heat capacities, and isothermal compressibilities  

International Nuclear Information System (INIS)

Apparent molar volumes of aqueous methyldiethanolamine and its salt were determined with platinum vibrating tube densitometers over a range of temperatures from 283K=

2006-08-01

279

The composition-explicit distillation curve technique: Relating chemical analysis and physical properties of complex fluids.  

Science.gov (United States)

The analysis of complex fluids such as crude oils, fuels, vegetable oils and mixed waste streams poses significant challenges arising primarily from the multiplicity of components, the different properties of the components (polarity, polarizability, etc.) and matrix properties. We have recently introduced an analytical strategy that simplifies many of these analyses, and provides the added potential of linking compositional information with physical property information. This aspect can be used to facilitate equation of state development for the complex fluids. In addition to chemical characterization, the approach provides the ability to calculate thermodynamic properties for such complex heterogeneous streams. The technique is based on the advanced distillation curve (ADC) metrology, which separates a complex fluid by distillation into fractions that are sampled, and for which thermodynamically consistent temperatures are measured at ...

2009-11-17

280

The OECD/NEA TDB review on nickel  

Energy Technology Data Exchange (ETDEWEB)

Nickel is present in radioactive waste (as activation products {sup 59}Ni and {sup 63}Ni) besides being an element widely distributed in the geosphere and considered for alloys in the engineered barrier systems for underground repositories. For these reasons, within the scope of the OECD Nuclear Energy Agency (NEA) Thermochemical Data Base (TDB) Project a comprehensive review of thermodynamic data has been carried out by the present authors [1]. Over 700 original bibliography sources have been considered, resulting in recommended data for over 50 inorganic species and compounds. Central to the new database are the selections for {delta}{sub f}G{sub m}{sup 0}(Ni{sup 2+}, 298.15 K), established on the basis of re-evaluations of potentiometric data for Ni{sup 2+} | Ni (cr) and S{sub m}{sup 0}(Ni{sup 2+}, 298.15 K) established on the dissolution equilibria for NiSO{sub 4}.7H{sub 2}O(cr). The resulting value for {delta}{sub f}H{sub m}{sup 0}(Ni{sup 2+}, 298.15 K) is ...

2005-07-01

281

Study of structural, thermodynamical and dynamical properties of molecular liquids confined in nano-porous materials; Etude des proprietes structurales, thermodynamiques et dynamiques de liquides moleculaires confines dans des materiaux nanoporeux modeles  

Energy Technology Data Exchange (ETDEWEB)

When liquids are confined in nano-scopic dimensions, their properties differ from the corresponding bulk liquid, due to their reduced dimensionality and surface effects. Phase transition temperatures and pressures are often shifted from the bulk values and new phases can appear due to the strong interactions of the molecules with the confining walls. We have studied the structural and dynamical properties of aromatic liquids such as benzene, toluene, and ortho-terphenyl confined in nano-porous materials, MCM-41 and SBA-15, synthesized and characterized in our laboratory. A non-trivial dependence of the glass transition temperature, T{sub g}, on the pore size and surface treatment of nano-porous materials is confirmed and interpreted as resulting from a competition between the fluid-wall and fluid-fluid intermolecular interactions. An increase of T{sub g} is observed for small pore sizes and attractive surface while T{sub g} decreases for non attractive surface, whatever the pore size. ...

2006-11-15

282

Release and sorption of alkali metals in coal fired combined cycle power systems; Freisetzung und Einbindung von Alkalimetallverbindungen in kohlebefeuerten Kombikraftwerken  

Energy Technology Data Exchange (ETDEWEB)

Coal fired combined cycle power systems will be a sufficient way to increase the efficiency of coal combustion. However, combined cycle power systems require a reliable hot gas cleanup. Especially alkali metals, such as sodium and potassium, can lead to hot corrosion of the gas turbine blading if they condensate as sulphates. The actual work deals with the release and sorption of alkali metals in coal fired combined cycle power systems. The influence of coal composition, temperature and pressure on the release of alkali species in coal combustion was investigated and the relevant release mechanisms identified. Alumosilicate sorbents have been found that reduce the alkali concentration in the hot flue gas of the Circulating Pressurized Fluidized Bed Combustion 2{sup nd} Generation (CPFBC 2{sup nd} Gen.) at 750 C to values sufficient for use in a gas turbine. Accordingly, alumosilicate sorbents working at 1400 C have been found for the Pressurized Pulverized Coal Combustion (PPCC). The ...

2009-07-01

283

Relationships among electrochemical, thermodynamic, and oxygen potential quantities in lithium-transition metal-oxygen molten salt cells  

Energy Technology Data Exchange (ETDEWEB)

The interdependence of thermodynamic parameters, phase equilibria, and electrochemical measurements can be used as a powerful tool in the development of high specific energy cells. These principles were used in the analysis of electrochemical experiments performed on ternary lithium-transition metal-oxide (M = Mn, Fe, and Co) positive electrodes. The free energies of formation of LiMnO/sub 2/, Li/sub 5/FeO/sub 4/, LiFeO/sub 2/, and LiCoO/sub 2/ were found to be -178.21, -399.88, -154.18, and 131.62 kcal/mol at 400/sup 0/C. The electrochemical displacement reactions were found to be reversible in LiCl/KCl molten salt cells over a range of 0.0-3.0 Li equivalents per mol at current densities of 5-15 mA/cm/sup 2/. The equilibrium potential vs. Li was found to be a logarithmic function of the calculated oxygen partial pressure for any tie triangle in which Li/sub 2/O is present, or for any tie triangle containing ternary oxide phases Li /SUB x/ MO /SUB y/ which are only ...

1984-03-01

284

Quarterly progress report for the Chemical and Energy Research Section of the Chemical Technology Division: October-December 1997  

Energy Technology Data Exchange (ETDEWEB)

This report summarizes the major activities conducted in the Chemical and Energy Research Section of the Chemical Technology Division at Oak Ridge National Laboratory (ORNL) during the period October--December 1997. The section conducts basic and applied research and development in chemical engineering, applied chemistry, and bioprocessing, with an emphasis on energy-driven technologies and advanced chemical separations for nuclear and waste applications. The report describes the various tasks performed within six major areas of research: Hot Cell Operations, Process Chemistry and Thermodynamics, Separations and Materials Synthesis, Fluid Structure and Properties, Biotechnology Research, and Molecular Studies. The name of a technical contact is included with each task described, and readers are encouraged to contact these individuals if they need additional information. Activities conducted within the area of Hot Cell Operations included efforts to optimize the ...

1999-02-01

285

Metastability and dynamics of the shock-induced phase transition in iron  

Energy Technology Data Exchange (ETDEWEB)

The shock-induced {alpha}(bcc){r_arrow}{var_epsilon}(hcp) transition in iron begins at 13 GPa on the Hugoniot. In the two-phase region above 13 GPa, the Hugoniot lies well above the equilibrium surface defined by G{sub {alpha}}=G{sub {var_epsilon}}, with G the Gibbs free energy. Also, the phase transition relaxation time {tau} is uncertain, with estimates ranging from {lt}50 ns to {approx}180 ns. Here we present an extensive study of these important aspects, metastability and dynamics, of the {alpha}-{var_epsilon} transition in iron. Our primary theoretical tools are (a) accurate theoretically based free energies for {alpha} and {var_epsilon} phases of iron and (b) accurate calculations of the wave evolution following planar impacts. We define metastable surfaces for forward and reverse transitions by the condition that the thermodynamic driving force G{sub {alpha}}{minus}G{sub {var_epsilon}} is just balanced by an opposing force resulting from elastic stresses, ...

1997-02-01

286

Mathematical modelling of ash deposition of dispersed fuels; Mathematische Modellierung des Mineralansatzverhaltens disperser Brennstoffe  

Energy Technology Data Exchange (ETDEWEB)

A numeric method for predicting mineral ash deposition in coal dust furnaces is presented which is based on a bidirectional working time coupling of thermodynamic calculation routines (ChemApp{sup TM}) with the commercial CFD code FLUENT{sup TM}. The deposition characteristics of particles and wall surfaces is assessed on the basis of evaluations of flow simulation parameters and results of thermodynamic calculations for the mineral matter contained in the fuel particles, taking into account the complete energy, momentum and mass exchange history of the ash and the mineral conversion. The models enables calculations of the gaseous release of mineral components (e.g. alkaline substances and chlorine) from ash during combustion and its distribution inside a combustion chamber. The method and model are validated using experimental data. (orig.) [German] In der vorliegenden Arbeit wird ein numerisches Verfahren beschrieben, mit dem die ...

2003-07-01

287

Local thermodynamic equilibrium and related metrological issues involving collisional-radiative model in laser-induced aluminum plasmas  

Energy Technology Data Exchange (ETDEWEB)

We present a collisional-radiative approach of the theoretical analysis of laser-induced breakdown spectroscopy (LIBS) plasmas. This model, which relies on an optimized effective potential atomic structure code, was used to simulate a pure aluminum plasma. The description of aluminum involved a set of 220 atomic levels representative of three different stages of ionization (Al{sup 0}, Al{sup +} and Al{sup ++}). The calculations were carried for stationary plasmas, with input parameters (n{sub e} and T{sub e}) ranging respectively between 10{sup 13-18} cm{sup -3} and 0.3-2 eV. A comparison of our atomic data with some existing databases is made. The code was mainly developed to address the validity of the local thermodynamic equilibrium (LTE) assumption. For usual LIBS plasma parameters, we did not reveal a sizeable discrepancy of the radiative equilibrium of the plasma towards LTE. For cases where LTE was firmly believed to stand, the Boltzmann plot outputs of this ...

2009-10-15

288

Local thermodynamic equilibrium and related metrological issues involving collisional-radiative model in laser-induced aluminum plasmas  

International Nuclear Information System (INIS)

We present a collisional-radiative approach of the theoretical analysis of laser-induced breakdown spectroscopy (LIBS) plasmas. This model, which relies on an optimized effective potential atomic structure code, was used to simulate a pure aluminum plasma. The description of aluminum involved a set of 220 atomic levels representative of three different stages of ionization (Al0, Al+ and Al++). The calculations were carried for stationary plasmas, with input parameters (ne and Te) ranging respectively between 1013-18 cm-3 and 0.3-2 eV. A comparison of our atomic data with some existing databases is made. The code was mainly developed to address the validity of the local thermodynamic equilibrium (LTE) assumption. For usual LIBS plasma parameters, we did not reveal a sizeable discrepancy of the radiative equilibrium of the plasma towards LTE. For cases where LTE was firmly believed to stand, the Boltzmann plot outputs of this code were used to check the physical ...

2009-10-01

289

Exergy method of power plant systems analysis and its application to a pressurized fluidized bed coal-fired combined-cycle power plant  

Energy Technology Data Exchange (ETDEWEB)

This thesis surveys the concepts of exergy and extends the exergy method of analysis from the standpoint of its applications to the power plant systems. After a brief historical review of exergy concepts, the general exergy equation is derived from the combined equation of First and Second Law, and it is shown that any special case of exergy equation is a simplified form of the general exergy equation. The mathematical method for the exergy analysis of a steady-state, steady-flow system, analogous to that of the First Law, is given. The exergy losses in a power plant are discussed. Then in order to examine these losses, the Second Law performance of major processes of combustion, compression, heat transfer, mixing and throttling have been analyzed analytically, and the exergy efficiencies are defined that accurately assess the thermodynamic performance of the corresponding processes. The methods for computation of exergy loss and exergy efficiency are given and ...

1981-01-01

290

Coastdown in light water reactors as a fuel management strategy  

International Nuclear Information System (INIS)

Improved uranium utilization by means of extended burnup via routine end-of-cycle coastdown has been analyzed, with a specific focus on pressurided water reactors. Both computer and simple analytic models have been developed to determine the optimal coastdown length. Coastdown has been compared with the use of higher fuel-enrichment to achieve comparable burnup values. Temperature and Power coastdown modes were analyzed and changes in the plant thermodynamic efficiency determined. Effects on fuel integrity due to coastdown were examined using a fuel reliability code (SPEAR). Finally the effects on coastdown duration of major parameters involved in charaterizing reactor operation and the economic enviroment were examined. It was found that natural uranium savings up to 7% could be achieved in a typical application by the use of routine pre-planned coast down up to the economic optimun. If coastdown is carried out all the way up to the economic breakeven point ...

2004-07-11

291

A structural and thermodynamic basis for the catalytic behavior of single phase and multiphase bismuth cerium molybdate ammoxidation catalysts  

Energy Technology Data Exchange (ETDEWEB)

The vast majority of fundamental studies of metal oxide selective oxidation catalysts have been performed with single phase systems. These investigations established the basic tenents of the redox mechanism of selective oxidation and ammoxidation catalysis. By comparison, structural and kinetic investigations of multiphase oxide catalysts are less numerous because of the inherent difficulties in understanding the relative contributions of separate phases to the catalytic behavior of the composite catalyst. Some attempts have been made in the past to understand the complex chemistry of multiphase catalysts and additional important insights have been realized more recently. However, a clear understanding of the most significant catalytic interactions between individual phases of a multiphase multicomponent redox catalyst is still lacking. In an effort to provide an understanding and a physical basis for the observed synergism in multiphase oxide catalysts, the structural and chemical ...

1983-09-01

292

Estimating the stabilities of aqueous actinide complexes with sulfoxy-anions  

Energy Technology Data Exchange (ETDEWEB)

Full text of publication follows: Stable aqueous sulfur species are mainly sulfide (H{sub 2}S) and sulfate (SO{sub 4}{sup 2-}) ions. However, several sulfoxy-anions may be detected as metastable anions in natural environment, as typically thiosulfate (S{sub 2}O{sub 3}{sup 2-}) and sulfite (SO{sub 3}{sup 2-}) ions [1]. In natural systems, uranium speciation and migration are mainly governed by carbonate complexes in non reducing conditions. Whereas sulfate is already known as a complexing agent of actinides, data relating to U-SO{sub 3}{sup 2-} and U-S{sub 2}O{sub 3}{sup 2-} complexes have only been proposed for U(VI) [2], but are usually not included in thermodynamic databases [3]. Therefore, it appears to be relevant to determine complexation constants of actinides with sulfur ligands, for RN migration studies, concerning nuclear waste disposal as well as migration behaviour in the geosphere. In the present study, values have been estimated for the first ...

2005-07-01

293

Viscoplasticity of elastomeric materials: experimental facts and constitutive modelling  

Energy Technology Data Exchange (ETDEWEB)

A characteristic of filled elastomers is their ability to undergo very large deformations without damaging their internal structure. The material behaviour is mainly elastic, however, elastomers show hysteresis effects leading to damping properties, which are quite important as regards their applications in various fields of mechanical engineering.A series of experiments (tension, torsion and combinations of both) was carried out on cylindrical bars made of a carbon-black filled rubber mixture. In addition to a pronounced nonlinear rate-dependence, relaxation and viscosity properties are observed as being influenced by the process histories.The behaviour of elastomeric materials is modelled on the basis of a free energy function and evolution equations for additional internal variables. Incorporating or disregarding the very small rate-independent hysteresis, the constitutive modelling may be classified under viscoplasticity or viscoelasticity. The constitutive equations are formulated ...

2001-03-01

294

Variational approach to nuclear matter  

International Nuclear Information System (INIS)

We calculated the energies of asymmetric nuclear matter at zero and finite temperatures with the cluster variational method. At zero temperature, the expectation value of the two-body Hamiltonian composed of the kinetic energies and the AV18 two-body forces is calculated with the Jastrow wave function in the two-body cluster approximation. The obtained two-body energy is in good agreement with the result with the Fermi Hypernetted Chain (FHNC) calculation by Akmal et al. The energy caused by the UIX three-body forces is treated somewhat phenomenologically so that the total energy reproduces the empirical saturation point. Furthermore, the parameters included in the three-body energy are readjusted so that the Thomas-Fermi (TF) calculations with use of the obtained energy of nuclear matter reproduce the gross feature of the experimental data on atomic nuclei. The nuclear species in the neutron star crust obtained by the TF calculation are reasonable. The free energies of asymmetric ...

2010-12-01

295

Use of explosive quick depressurization valves in the SBWR project. Dynamic loads induced by their operation  

International Nuclear Information System (INIS)

In General Electric's design of the Simplified Boiling Water Reactor (SBWR), The depressurization valves (DPV) are installed in the reactor pressure boundary: four are connected to the reactor vessel by means of nozzles, and two more are located on the main steam pipes (one DPV for each line), which act during particular transients and/or loss of coolant accidents (LOCA), consequently providing the reactor vessel with a safe quick depressurization system. Once the vessel is de pressurised, the passive gravity-driven cooling system (GDCS) starts to operate, permitting the injection of water required for continuous core cooling. DPVs are leak tight, with welded flaps, actuated by a [striker[hammer***] which is activated by an explosive mixture. The dynamic loads that open these valves include, in addition to those produced by steam (typical in any thermodynamic transient with open/close valves), other important loads that are characteristic of this type of explosive ...

296

Understanding of the volatility of GeO/sub 2/ in the presence of WO/sub 2/  

Energy Technology Data Exchange (ETDEWEB)

The equilibria composition of the gaseous and the solid phase in the system GeO/sub 2//WO/sub 2/ is calculated with an improved thermodynamical program for temperatures 1100 < T < 1400 K and constant volume. By means of the results the experimental observed migration of GeO/sub 2/ in the presence of WO/sub 2/ in a temperature gradient T/sub 2/ ..-->.. T/sub 1/ (1200 ..-->.. 1100 K) in sealed evacuated silica tubes is due to a chemical transport with H/sub 2/ as the transporting agent. The H/sub 2/ is formed by H/sub 2/O which is desorbed by the quartz glass of the ampoules. The also observed volatility of WO/sub 2/ and its deposition in form of Ge/sub 0.75/W/sub 3/O/sub 9/ at the 'cold' end (T/sub 1/) of the tubes is performed by gaseous GeWO/sub 4/. The calculated and experimental transport rates are compared and discussed.

1983-08-01

297

Topological and thermodynamic investigations of molecular interactions of aniline and o-toluidine with chloroform  

Energy Technology Data Exchange (ETDEWEB)

Molar excess volumes, V{sup E}, molar excess enthalpies, H{sup E}, and speeds of sound data, u, of chloroform (i) + aniline or o-toluidine (j) binary mixtures have been measured as a function of composition at 308.15 K. Isentropic compressibility changes of mixing, {kappa}{sub S}{sup E} have been determined by employing speed of sound data. Topological investigations of V{sup E} data reveals that aniline, chloroform and o-toluidine are associated entities and these (i + j) mixtures contain a 1:1 molecular complex. The IR studies lend further support to the nature and extent of interaction for the proposed molecular entity in the mixtures. H{sup E} and {kappa}{sub S}{sup E} values have also been calculated by employing Moelwyn-Huggins concept [Polymer 12 (1971) 387] taking topology of the constituents of the mixtures. It has been observed that calculated H{sup E} and {kappa}{sub S}{sup E} values compare well with their corresponding experimental values. The observed V{sup E}, H{sup E} ...

2008-05-30

298

Topological and thermodynamic investigations of molecular interactions of aniline and o-toluidine with chloroform  

International Nuclear Information System (INIS)

Molar excess volumes, VE, molar excess enthalpies, HE, and speeds of sound data, u, of chloroform (i) + aniline or o-toluidine (j) binary mixtures have been measured as a function of composition at 308.15 K. Isentropic compressibility changes of mixing, ?SE have been determined by employing speed of sound data. Topological investigations of VE data reveals that aniline, chloroform and o-toluidine are associated entities and these (i + j) mixtures contain a 1:1 molecular complex. The IR studies lend further support to the nature and extent of interaction for the proposed molecular entity in the mixtures. HE and ?SE values have also been calculated by employing Moelwyn-Huggins concept [Polymer 12 (1971) 387] taking topology of the constituents of the mixtures. It has been observed that calculated HE and ?SE values compare well with their corresponding experimental values. The observed VE, HE and ?SE data have also been analyzed in terms of Flory theory.

2008-05-30

299

Topological and thermodynamic investigations of binary mixtures: Molar excess volumes, molar excess enthalpies and isentropic compressibility changes of mixing  

Energy Technology Data Exchange (ETDEWEB)

Molar excess volumes, V{sup E}, molar excess enthalpies, H{sup E}, and speeds of sound, u, of o-toluidine (i) + cyclohexane or n-hexane or n-heptane (j) binary mixtures have been determined over entire range of composition at 308.15 K. Speeds of sound data have been utilized to predict isentropic compressibility changes of mixing, {kappa}{sub S}{sup E} of (i + j) mixtures. The observed V{sup E}, H{sup E} and {kappa}{sub S}{sup E} data have been analyzed in terms of Graph theory. The analysis of V{sup E} data by Graph theory reveals that o-toluidine exists as an associated molecular entity and (i + j) mixtures contain 1:1 molecular complex. It has been observed that V{sup E}, H{sup E} and {kappa}{sub S}{sup E} values calculated by Graph theory compare well with their corresponding experimental values. The observed data have also been analyzed in term of Flory theory.

2008-09-15

300

Topological and thermodynamic investigations of binary mixtures: Molar excess volumes, molar excess enthalpies and isentropic compressibility changes of mixing  

International Nuclear Information System (INIS)

Molar excess volumes, VE, molar excess enthalpies, HE, and speeds of sound, u, of o-toluidine (i) + cyclohexane or n-hexane or n-heptane (j) binary mixtures have been determined over entire range of composition at 308.15 K. Speeds of sound data have been utilized to predict isentropic compressibility changes of mixing, ?SE of (i + j) mixtures. The observed VE, HE and ?SE data have been analyzed in terms of Graph theory. The analysis of VE data by Graph theory reveals that o-toluidine exists as an associated molecular entity and (i + j) mixtures contain 1:1 molecular complex. It has been observed that VE, HE and ?SE values calculated by Graph theory compare well with their corresponding experimental values. The observed data have also been analyzed in term of Flory theory.

2008-09-15

301

Thermoeconomic analysis of power plants. Final report  

Energy Technology Data Exchange (ETDEWEB)

In this report, the concept of exergy and the general methodology of the exergetic analysis and the thermoeconomic (combined exergetic and economic) analysis of energy conversion systems are presented. The THESIS (THermodynamic and Economc SImulation System) computer program used for these analyses is briefly described. Detailed mass, energy, exergy and money balances for a reference steam power plant (Harry Allen Station) are shown. The effect of the most important process parameters on the overall efficiency is investigated. A year-by-year and a levelized revenue requirement analysis are presented. The costs of exergy losses are compared with the capital costs and other expenses due to owning and operating each particular plant component. The question whether it is profitable to reduce the exergy losses by increasing these costs and vice versa is investigated. A cost sensitivity analysis including the effect of coal price and average annual capacity factor is ...

1984-08-01

302

Thermodynamics of mixtures containing alkoxyethanols  

Energy Technology Data Exchange (ETDEWEB)

The Flory model is applied to predict the isobaric expansion coefficients, {alpha}{sub P}, isentropic, {kappa}{sub S}, and isothermal, {kappa}{sub T}, compressibilities and speeds of sound, u, of the highly complex mixtures: hydroxyether + alkane, + dibutylether, + 1-butanol or + 2-methoxyethanol, 1-alkanol + alkane, and 1-alkanol + dibutylether. Predictions were obtained using the energetic parameter, {chi}{sub 12}, determined from values of excess enthalpies, H{sup E}, and from values of the excess isochoric internal energies, U{sub V}{sup E}, at equimolar composition. No meaningful differences exist between such predictions. Deviations between experimental and calculated values are lower than 2% for mixtures containing alkoxyethanols. Poorer results are obtained for 1-alkanol + dibutylether mixtures with deviations up to 5%. It is shown that predictions on {alpha}{sub P}, {kappa}{sub S}, {kappa}{sub T}, and u essentially depend on structural effects and not on the orientational ...

2008-09-30

303

Thermodynamics of mixtures containing alkoxyethanols  

International Nuclear Information System (INIS)

The Flory model is applied to predict the isobaric expansion coefficients, ?P, isentropic, ?S, and isothermal, ?T, compressibilities and speeds of sound, u, of the highly complex mixtures: hydroxyether + alkane, + dibutylether, + 1-butanol or + 2-methoxyethanol, 1-alkanol + alkane, and 1-alkanol + dibutylether. Predictions were obtained using the energetic parameter, ?12, determined from values of excess enthalpies, HE, and from values of the excess isochoric internal energies, UVE, at equimolar composition. No meaningful differences exist between such predictions. Deviations between experimental and calculated values are lower than 2% for mixtures containing alkoxyethanols. Poorer results are obtained for 1-alkanol + dibutylether mixtures with deviations up to 5%. It is shown that predictions on ?P, ?S, ?T, and u essentially depend on structural effects and not on the orientational effects present in the studied mixtures. Results are improved using ?12 values fitted to molar excess ...

2008-09-30

304

Thermodynamics and stability of the mixed-conducting Sr-Fe-Co-O system.  

Energy Technology Data Exchange (ETDEWEB)

Mixed-conducting Sr-Fe-Co oxides have potential applications in dense ceramic membranes for high-purity oxygen separation and/or methane conversion to produce syngas (CO + H{sub 2}), because of their combined high electronic/ionic conductivity and significant oxygen permeability. We studied the crystal structure and microstructure of the system in X-ray diffraction experiments and by using scanning electron microscopy, respectively. Thermogravimetric analysis was conducted on the SrFeCo{sub 0.5}O{sub x} sample in environments of various oxygen partial pressures (pO{sub 2}). Conductivity increased while weight decreased with increasing temperature. Activation energy decreased while conductivity increased with increasing pO{sub 2}. The pO{sub 2}-dependent conducting behavior of the SrFeCo{sub 0.5}O{sub x} system can be understood by considering the trivalent-to-divalent transition of transition-metal ions.

1999-04-28

305

Thermodynamic modeling of integrated SOFC systems for power and hydrogen productions  

International Nuclear Information System (INIS)

Electricity generation from natural gas in gas turbine units can be made substantially more efficient by preliminary methane conversion to a synthesis gas containing hydrogen and carbon monoxide and/or by the use of some of the synthesis gas produced in industry. An alternative improvement involves the introduction of solid oxide fuel cells (SOFCs) and the use of the synthesis gas in them. In this study, a modified scheme of gas turbine cycle that includes an SOFC, a membrane reactor (instead of a traditional combustion chamber), and a catalytic reactor to perform methane conversion to produce hydrogen (synthesis gas) is proposed. Variations of the energy and exergy efficiencies of the integrated system with operating conditions are provided, showing, for example, that SOFC efficiency is enhanced if the fuel cell active area is augmented. The SOFC stack efficiency can be maximized by reducing the steam generation while increasing the stack size, although such measures imply a ...

306

Thermodynamic modeling of LPG combustion in dual-fuel engines; Modelisation thermodynamique de la combustion du GPL dans les moteurs dual-fuel  

Energy Technology Data Exchange (ETDEWEB)

Dual-fuel engines are modified diesel engines burning simultaneously two fuels inside the cylinder: a gaseous one, called the primary fuel and a liquid one, called the pilot fuel. The thermal efficiency of the dual-fuel engine and of the diesel engine are comparable; the level of emissions is lower compared to the diesel one. This article presents a new procedure for the combustion modeling in a LPG-diesel dual-fuel engine. The procedures deals with the ignition delay period and with the rate of heat release inside the cylinder. This procedure is validated using experimental data issued front a collaboration with the Indian Institute of Technology from Madras, India. The used engine is a single-cylinder one, air-cooled. The pilot fuel is direct injected inside the cylinder The engine was run at constant load and with different diesel substitutions, i.e. for different air to fuel ratios of the primary fuel-air mixture. The general error of the procedure is below 10%. (authors)

2002-07-01

307

The solubility of hydrogen and deuterium in crystalline Pd{sub 9}Si{sub 2}  

Energy Technology Data Exchange (ETDEWEB)

Isotherms have been measured for H(D){sub 2}(g) solution in crystalline Pd{sub 9}Si{sub 2} in the temperature range from 235 to 373 K. The solubilities are significant, e.g., at 1.0 MPa (298 K), (H/Pd) = 0.052 or Pd{sub 9}Si{sub 2}H{sub 0.47}, however, there is no indication of hydride phase formation even down to 235 K at 1.0 MPa. The thermodynamic values for hydrogen solutions at infinite dilution of hydrogen are {Delta}H{degrees}{sub H}= -11.9 kJ/mole {1/2}H{sub 2} and {Delta}S{degrees}{sub H} = -50 J/K mole {1/2}H{sub 2}. The former is more negative than for Pd-H{sub 2} and the latter is somewhat more positive; but generally the values are not that different from Pd-H{sub 2}. The isotope effect is similar to that found for Pd-H(D){sub 2}.

1995-11-15

308

The nucleation kinetics of calcium sulfate dihydrate in NaCl solutions up to 6 m and 90 C  

Energy Technology Data Exchange (ETDEWEB)

The crystallization of calcium sulfate from aqueous solutions with NaCl is both geological and industrial interest because NaCl is the dominant solute in natural brines and many industrial fluids. Induction periods for the nucleation of calcium sulfate dihydrate were experimentally determined as a function of supersaturation in NaCl solutions from 0 to 6 m at 25 C and in 3.0-m NaCl solutions at temperatures from 25 to 90 C. Using classic nucleation theory, the interfacial tension between gypsum and 3.0-m NaCl solution was estimated to be about 39 mJ/m[sup 2] at 25 C and increases with increasing temperature (to 63 mJ/m[sup 2] at 90 C). It was observed that the induction period decreases with increasing NaCl concentrations up to 3 m and then starts to increase slightly at a given temperature and saturation state. The electrolyte effect on nucleation was proportional to the enhanced solubility of calcium sulfate dihydrate in NaCl solutions. This phenomenon may result from decreased ...

1994-02-01

309

The effects of vortex characteristics on performance of coiled wire turbulators used for heat transfer augmentation  

International Nuclear Information System (INIS)

The augmentation of the heat transfer by inserting different type turbulators into the channels is the conventional passive enhancement method. The coiled wire is one of the common heat transfer enhancement devices. These turbulators generate almost-periodic vortices into the flow while increasing the heat transfer rate. In this study, the properties of these vortices (i.e. the vortex shedding frequency and amplitudes of the pressure fluctuations of the vortices), flow (vortex)-acoustic coupling and the relation between entropy generation and vortex characteristics were investigated experimentally. Strouhal-Re-N_s_,_a and P_r_m_s-Re-N_s_,_a variations were presented graphically. It was observed that as the pitch increases, the vortex shedding frequencies decrease and the maximum amplitudes of pressure fluctuation of vortices produced by coiled wire turbulators occur with small pitches. In addition, the effects of the turbulators on the heat transfer, friction factor and performance ...

2004-11-01

310

The clouds of physics and Einstein's last query: Can quantum mechanics be derived from general relativity?  

CERN Document Server

Towards the end of the 19th century, Kelvin pronounced as the "clouds of physics" 1) the failure of the Michelson-Morely experiment to detect an ether wind, 2) the violation of the classical mechanical equipartition theorem in statistical thermodynamics. And he believed that the removal of these clouds would bring physics to an end. But as we know, the removal of these clouds led to the two great breakthoughts of modern physics: 1) The theory of relativity, and 2) to quantum mechanics. Towards the end of the 20th century more clouds of physics became apparent. They are 1) the riddle of quantum gravity, 2) the superluminal quantum correlations, 3) the small cosmological constant. Furthermore, there is the riddle of dark energy making up 70% of the physical universe, the non-baryonic cold dark matter making up 26% and the very small initial entropy of the universe. An attempt is made to explain the importance of these clouds for the future of physics. Conjectures for ...

2008-01-01

311

The cascade of reservoirs of the ``Mayak`` Plant: Case history and the first version of a computer simulator  

Energy Technology Data Exchange (ETDEWEB)

The improvement of the ecological conditions at waste storing reservoirs is an important task of the restoration activity at Production Association (PA) ``Mayak`` (South Urals). The radionuclides mostly {sup 90}Sr, {sup 137}Cs, and chemical pollutants deposited in the reservoir water and in the bottom sediment are very dangerous sources for the contamination of Techa River below the reservoirs and the contamination of groundwater in the surrounding formations. The spreading of radioactive contaminants has both hydrogeological and the chemical features. The thermodynamic approach used to account for physical-chemical interactions between water and the bed rocks based on Gibbs free energy minimization of multicomponent system (H-O-Ca-Mg-K-Na-S-Cl-C-Sr) permitted the authors to calculate the corresponding ionic and complex species existing in the solutions, and to characterize the processes of precipitation and dissolution. The model takes into account the input and ...

1994-07-01

312

The 4th international colloquium on process simulation. Proceedings  

Energy Technology Data Exchange (ETDEWEB)

The papers collected in this volume were presented at the 4th Colloquium on Process Simulation held at Helsinki University of Technology, Espoo, Finland, June 11-13, 1997. In the more developed industrial nations, the processes for producing chemicals, energy, and materials encounter environmental concern and laws which challenge engineers to develop the processes towards more efficient, economical and safe operation. This necessitates more thorough understanding of the processes and phenomena involved. Formerly, the development of the processes was largely based on trial and error, whereas today, the development of computer performance together with the diversification of modelling software enables simulation of the processes. The increased capacity and possibilities for modelling the processes brought by the improved hardware and software, have generated a strong demand for more accurate mathematical descriptions of the processes. Especially, the coupling of computational fluid ...

1997-12-31

313

Tertiary structure prediction of C-peptide of ribonuclease A by multicanonical algorithm  

CERN Document Server

We have performed multicanonical Monte Carlo simulations of C-peptide of ribonuclease A. It is known by CD and NMR experiments that this peptide has high alpha-helix content in aqueous solution and that the side-chain charges of residues Glu-2$^-$ and His-12$^+$ play an important role in the stability of the alpha-helix. In order to confirm these experimental implications, we have used two analogues of the peptide with charged and neutral side chains of Glu-2 and His-12. Two dielectric functions, distance-dependent and constant, are considered to study the effects of solvent contributions. All the simulations were started from random initial conformations. Various thermodynamic quantities such as average helicity as a function of residue number and average distance between two side chains as a function of temperature are calculated. The results are found to be in accord with the implications of CD and NMR experiments. The lowest-energy conformation obtained has an ...

1998-01-01

314

Systematic implicit solvent coarse-graining of bilayer membranes: lipid and phase transferability of the force field  

International Nuclear Information System (INIS)

We study the lipid and phase transferability of our recently developed systematically coarse-grained solvent-free membrane model. The force field was explicitly parameterized to describe a fluid 1-palmitoyl-2-oleoyl-phosphatidylcholine (POPC) bilayer at 310 K with correct structure and area per lipid, while gaining at least three orders of magnitude in computational efficiency (see Wang and Deserno 2010 J. Phys. Chem. B 114 11207-20). Here, we show that exchanging CG tails, without any subsequent re-parameterization, creates reliable models of 1,2-dioleoylphosphatidylcholine (DOPC) and 1,2-dipalmitoylphosphatidylcholine (DPPC) lipids in terms of structure and area per lipid. Furthermore, all CG lipids undergo a liquid-gel transition upon cooling, with characteristics like those observed in experiments and all-atom simulations during phase transformation. These studies suggest a promising transferability of our force field parameters to different lipid species and ...

2010-09-01

315

Study of the thermodynamic properties of (U,Ce)O{sub 2}  

Energy Technology Data Exchange (ETDEWEB)

The X-ray diffraction analysis of (U,Ce)O{sub 2} with the CeO{sub 2} contents ranging from 0 to 20 mol% CeO{sub 2} was performed at room temperature to obtain the variation in the lattice parameter with the CeO{sub 2} content. Ultrasonic pulse echo measurements were also carried out to estimate the change in the mechanical properties of (U,Ce)O{sub 2} with the CeO{sub 2} content. The lattice parameter of (U,Ce)O{sub 2} was found to decrease with increasing CeO{sub 2} content. The variation in the lattice parameter with the CeO{sub 2} content closely followed the Vegard law. The shear and longitudinal velocities in (U,Ce)O{sub 2} were found to decrease with increasing CeO{sub 2} content. The Young`s and shear moduli, and Poisson`s ratio estimated from the wave velocities decreased with the CeO{sub 2} content. No mechanical property showed anomaly in low CeO{sub 2} content region. (orig.).

1997-08-01

316

Studies on the Evolution of Silver Nanoparticles in Micelle by UV-Photoactivation  

Energy Technology Data Exchange (ETDEWEB)

Ultraviolet (UV) photoirradiation of Ag(I) compounds in the presence of an aqueous Triton X-100 solution has been exploited for the first time to prepare reproducible yellow silver hydrosol. The evolution of nanosized silver particles has been examined critically under the influence of different anions/ligands. Hence, time dependent evolution of silver hydrosol from different silver compounds in micelle via photochemical reduction is observed. Anions/ligands of precursor salts have been found to show profound influence (due to electron scavenging property, solubility, stability etc.) on the evolution route and efficiency of photochemical reduction of Ag(I) to Ag(O) in micelle and thereby classification of silver compounds becomes possible. Kinetic results reveal that the formation of silver particles proceeds via autocatalytic growth mechanism. The observed variation in rate constant values for the evolution of nanoparticles from different silver compounds have been explained in terms ...

2003-12-15

317

Studies about the separation of molecular species of hydrogen's isotopes by cryogenic distillation in a plant for heavy water detritiation  

Energy Technology Data Exchange (ETDEWEB)

Cryogenic distillation is the main industrial method for separating hydrogen's isotopes, because it presents the advantage of high separating factors and also the possibility of processing great quantities of gases. In the case of multicomponent mixtures the determination of transport for molecular species between the two phases is very difficult owing to the particularities of physical characteristics of each component from the mixture. The transport of molecular species is also strongly influenced by the hydrodynamics of two phases, in strong connection with the dimension of the interface between the vapor and liquid phase. The characteristics of the interface depend on the type and geometry of the separation area: plates or package. The traditional methods of analysis for exchange processes use the concept 'theoretic plate', a physical entity for which the values of concentrations for vapors and liquid that leaves the plate are in ...

1998-07-01

318

Stochastic combustion modeling of a direct injection diesel engine  

Energy Technology Data Exchange (ETDEWEB)

A mathematical model was developed to simulate the combustion process of a direct injection diesel engine. The model considers the key features of such a combustion process; namely fuel droplet evaporation, spray formation, mixing, ignition of heterogeneous burning of the fuel. To model mixing, great emphasis was placed on treating both large and small scale aspects of mixing, the model divides the combustion chamber into three distinct regions of air, fuel spray, and a turbulent plume that is formed once ignition occurs. The fuel spray itself is considered to be composed of multiple zones, which in turn are made of cells of equal mass and of different thermodynamic states. Micromixing of the fuel and air cells, within each zone of the jet and the turbulent plume, is then achieved by utilizing the concept of Monte Carlo stochastic coalescence dispersion technique. The frequency of such cell interactions within each zone is obtained by employing a K-1 turbulent ...

1984-01-01

319

Speed and load effects on the availability balances and irreversibilities production in a multi-cylinder turbocharged diesel engine  

Energy Technology Data Exchange (ETDEWEB)

This work presents an analysis of the operation of a multi-cylinder, tubro charged, indirect injection diesel engine from a second-law analysis point of view. For this purpose, a single-zone thermodynamic model following the filling and emptying modelling technique is developed. A second-law analysis is performed in all parts of the diesel engine plant, which provides all the existing availability terms and accounts for the evaluation of every component`s irreversibilities. A complete second-law terms tabulation is given for the maximum speed-full load operation case, which is compared with its first-law counterpart. A detailed parametric study is performed in all parts of the diesel engine plant comprising the effects of speed and load on the availability terms in a range that covers the whole operation of the engine under turbocharged action. Various second-law (availability) terms such as indicated and brake work, heat transfer, inlet air, exhaust and friction, ...

1997-03-01

320

Second law analysis of compressible flow through a diffuser subjected to constant heat flux at wall  

International Nuclear Information System (INIS)

Entropy generation is equivalent to destruction of available work (exergy). The useful energy is destroyed due to the intrinsic irreversibility associated within thermodynamic systems. Exergy analysis can be used as an effective basis for the development and improvement of systems design not only in the overall perspective but also in the individual component level. Second law analysis provides a useful tool to identify the irreversibility in any thermal system. This study presents the investigation of local and total entropy generation in compressible flow through a diffuser. Air is used as the fluid. Uniform heat flux boundary condition is applied at the wall. Two dimensional solution of velocity and temperature fields are obtained using the CFD code FLUENT. Distribution of entropy generation rate is investigated throughout the volume of the fluid as it flows through the diffuser. Regions of high entropy generation in the diffuser have been predicted. The angle ...

2010-12-01

321

Pyrochemical Processing for Low-Level Waste Production in PEACER  

Science.gov (United States)

A pyrochemical partitioning process has been conceptually designed so that the transmutation of spent LWR fuels in PEACER can produce mainly low-level waste (Class C waste) for near-surface burial. Chloride salt technology developed for IFR has been employed as the baseline. Electrorefining, reductive extraction and salt recycling steps are used to construct overall flowsheet in order to support PEACER operation. The decontamination factor for transuranic elements was estimated based on both thermodynamic models and reported experimental data. It is expected that overall decontamination factor can be as high as 10{sup 5} for transuranic elements. Final wastes from pyrochemical processing for PEACER are noble metals, alkaline earth metal, and lanthanides. The final wastes are stabilized by mixing with zeolite and glass-frits such that concentration limit for class C waste can be met. The volume of Class C waste is estimated to be small enough to make PEACER concept ...

2002-07-01

322

Pyrochemical Processing for Low-Level Waste Production in PEACER  

International Nuclear Information System (INIS)

A pyrochemical partitioning process has been conceptually designed so that the transmutation of spent LWR fuels in PEACER can produce mainly low-level waste (Class C waste) for near-surface burial. Chloride salt technology developed for IFR has been employed as the baseline. Electrorefining, reductive extraction and salt recycling steps are used to construct overall flowsheet in order to support PEACER operation. The decontamination factor for transuranic elements was estimated based on both thermodynamic models and reported experimental data. It is expected that overall decontamination factor can be as high as 10"5 for transuranic elements. Final wastes from pyrochemical processing for PEACER are noble metals, alkaline earth metal, and lanthanides. The final wastes are stabilized by mixing with zeolite and glass-frits such that concentration limit for class C waste can be met. The volume of Class C waste is estimated to be small enough to make PEACER concept ...

2002-06-09

323

Proton-loaded zeolites. 2. Dehydrohalogenation versus decationization kinetics: Cation and acidity effects  

Science.gov (United States)

The work presented in part 1 of this study established that the sorption of anhydrous HX into dehydrated Na{sub 56}Y progresses through a sequence of steps involving HX ionization and charge separation, oxygen framework protonation, formation of {alpha}-cage confined cation-anion contact ion pairs, and proton solvation by HX. A logical extension, which is the subjected of this study, concerns the effect of extraframework alkali metal cation type (M = Li{sup +}, Na{sup +}, K{sup +}, Rb{sup +}, Cs{sup +}) on the sorption process. The question of the acidity of proton-loaded zeolites compared to Broensted acid zeolites is addressed by using probe reactions with weak bases like ethane and cyclopropane. Additional insight into these systems is also obtained from a quantitative comparison of the kinetic and thermodynamic activation parameters for the dehydrohalogenation of proton-loaded zeolites exemplified by (HX){sub 8}Na{sub 56}Y relative to the decationization ...

1990-10-18

324

Production and remediation of low-sludge, simulated Purex waste glasses, 1: Effects of sludge oxide additions on melter operation  

Energy Technology Data Exchange (ETDEWEB)

Glass produced during the Purex 4 campaigns of the Integrated Defense Waste Processing Facility (DWPF) Melter System (IDMS) and the 774 Research Melter contained a lower fraction of sludge components than targeted by the Product Composition Control System (PCCS). Purex 4 glass was more durable than the benchmark (EA) glass, but less durable than most simulated SRS high-level waste glasses. Also, Purex 4 glass was considerably less durable than predicted by the algorithm which will be used to control production of DWPF glass. A melter run was performed using the 774 Research Melter to determine if the initial PCCS target composition determined for Purex 4 would produce acceptable glass whose durability could be accurately modeled by Hydration Thermodynamics. Reagent grade oxides and carbonates were added to Purex 4 melter feed stock to simulate a higher sludge loading. Each canister of glass produced was sampled and the composition, crystallinity, and durability was ...

1993-07-15

325

Power-cycle studies for a geothermal electric plant for MX operating bases  

Energy Technology Data Exchange (ETDEWEB)

Binary geothermal plants were investigated for providing electrical power for MX missile bases. A number of pure hydrocarbons and hydrocarbon mixtures were evaluated as working fluids for geothermal resource temperatures of 365, 400, and 450/sup 0/F. Cycle thermodynamic analyses were conducted for pure geothermal plants and for two types of coal-geothermal hybrid plants. Cycle performance results were presented as net geofluid effectiveness (net plant output in watts per geofluid flow in 1 bm/hr) and cooling water makeup effectiveness (net plant output in watts per makeup water flow in 1 bm/hr). A working fluid containing 90% (mass) isobutane/10% hexane was selected, and plant statepoints and energy balances were determined for 20MW(e) geothermal plants at each of the three resource temperatures. Working fluid heaters and condensers were sized for these plants. It is concluded that for the advanced plants investigated, geothermal resources in the 365 to 450/sup 0/F ...

1981-11-01

326

Passivation behavior of SUS 304 stainless steel in neutral solutions at elevated temperature  

International Nuclear Information System (INIS)

Cyclic voltammograms of SUS 304 stainless steel in various neutral solutions such as Na_2SO_4 at high temperature were measured, as a successive study to previous report in which effects of temperature and pH on polarization behavior of stainless steel were studied. In this measurement Ag/AgCl reference electrode and platinum counter electrode were used in a static autoclave lined with inconel. Passive films formed in various conditions were analysed by electron diffraction and Auger spectroscopy. Results obtained were compared with anodic behavior of iron, chromium and nickel and with thermodynamical stabilities of their compounds. The main results are summarized as follows. (1) Stainless steel shows such electrochemical behavior as active dissolution, passivation and transpassivation in a deaerated neutral solution at 250"0C after fully reductive treatment of the specimen. In air-saturated solution, the peak of active dissolution is not observed. In the passive ...

1981-01-01

327

Oxidation, volatilization, and redistribution of molybdenum from TZM alloy in air  

Energy Technology Data Exchange (ETDEWEB)

The excellent high temperature strength and thermal conductivity of molybdenum-base alloys provide attractive features for components in advanced magnetic and inertial fusion devices. Refractory metal alloys react readily with oxygen and other gases. Oxidized molybdenum in turn is susceptible to losses from volatile molybdenum trioxide species, MoO{sub 3}(m), in air and the hydroxide, MoO{sub 2}(OH){sub 2}, formed from water vapor. Transport of radioactivity by the volatilization, migration, and re-deposition of these volatile species during a potential accident involving a loss of vacuum or inert environment represents a safety issue. In this report the authors present experimental results on the oxidation, volatilization and re-deposition of molybdenum from TZM in flowing air between 400 and 800 C. These results are compared with calculations obtained from a vaporization mass transfer model using chemical thermodynamic data for vapor pressures of MoO{sub 3}(g) ...

2000-01-01

328

Oxidation, Volatilization, and Redistribution of Molybdenum from TZM Alloy in Air  

Energy Technology Data Exchange (ETDEWEB)

The excellent high temperature strength and thermal conductivity of molybdenum-base alloys provide attractive features for components in advanced magnetic and inertial fusion devices. Refractory metal alloys react readily with oxygen and other gases. Oxidized molybdenum in turn is susceptible to losses from volatile molybdenum trioxide species, (MoO3)m, in air and the hydroxide, MoO2(OH)2, formed from water vapor. Transport of radioactivity by the volatilization, migration, and re-deposition of these volatile species during a potential accident involving a loss of vacuum or inert environment represents a safety issue. In this report we present experimental results on the oxidation, volatilization and re-deposition of molybdenum from TZM in flowing air between 400 and 800°C. These results are compared with calculations obtained from a vaporization mass transfer model using chemical thermodynamic data for vapor pressures of MoO3(g) over pure solid MoO3 and ...

2000-01-01

329

Optimal Control of Thermo--Fluid Phenomena in Variable Domains  

Science.gov (United States)

This presentation concerns our continued research on adjoint--based optimization of viscous incompressible flows (the Navier--Stokes problem) coupled with heat conduction involving change of phase (the Stefan problem), and occurring in domains with variable boundaries. This problem is motivated by optimization of advanced welding techniques used in automotive manufacturing, where the goal is to determine an optimal heat input, so as to obtain a desired shape of the weld pool surface upon solidification. We argue that computation of sensitivities (gradients) in such free--boundary problems requires the use of the shape--differential calculus as a key ingredient. We also show that, with such tools available, the computational solution of the direct and inverse (optimization) problems can in fact be achieved in a similar manner and in a comparable computational time. Our presentation will address certain mathematical and computational aspects of the method. As an illustration we will ...

2008-11-01

330

On the temperature dependence of the magnetic excitations  

International Nuclear Information System (INIS)

We compare experimental data for temperature dependence of the magnetic order parameter and the magnetic excitations (spin waves) in materials with a quenched orbital moment and a well-defined spin quantum number. It is observed that the thermal decrease of the two quantities proceeds according to the same analytical function of the type y(T)=1-cT"#epsilon# with an identical exponent #epsilon#. This power function applies not only asymptotically for T->0 but holds over a wide temperature range. The exponent #epsilon# is universal, i.e. independent of spin order type and lattice symmetry and depends only on the dimensionality of the relevant interactions and on whether the spin quantum number is integer or half-integer. The different T"#epsilon# functions are identified as representations of stable universality classes. The fact that order parameter and magnetic excitations follow the same T"#epsilon# function shows that the two quantities belong to the same universality class. The ...

2005-07-15

331

Observing the Sunyaev-Zel'dovich Effect Closer to Home  

CERN Document Server

Hot gas trapped in a dark matter halo will produce a decrement in the surface brightness of the microwave background, the Sunyaev-Zel'dovich (SZ) effect. While massive clusters produce the strongest central SZ decrements, we point out that a local galaxy halo, specifically the halo of M31, may be one of the brightest integrated SZ sources in the sky. For various realistic gas distributions consistent with current X-ray limits, we show that the integrated SZ decrement from M31 will be comparable to decrements already detected in more distant sources, provided its halo contains an appreciable quantity of hot gas. A measurement of this decrement would provide direct information on the mass, spatial distribution and thermodynamic state of hot gas in a low-mass halo, and could place important constraints on current models of galaxy formation. Detecting such an extended (~ 10 degree), low-amplitude signal will be challenging, but should be possible with all-sky SZ maps ...

2003-01-01

332

Nuclear waste form risk assessment for US defense waste at Savannah River Plant. Annual report fiscal year 1980  

Energy Technology Data Exchange (ETDEWEB)

Waste form dissolution studies and preliminary performance analyses were carried out to contribute a part of the data needed for the selection of a waste form for the disposal of Savannah River Plant defense waste in a deep geologic repository. The first portion of this work provides descriptions of the chemical interactions between the waste form and the geologic environment. We reviewed critically the dissolution/leaching data for borosilicate glass and SYNROC. Both chemical kinetic and thermodynamic models were developed to describe the dissolution process of these candidate waste forms so as to establish a fundamental basis for interpretation of experimental data and to provide directions for future experiments. The complementary second portion of this work is an assessment of the impacts of alternate waste forms upon the consequences of disposal in various proposed geological media. Employing systems analysis methodology, we began to evaluate the performance ...

1981-07-01

333

Nanoparticles and their tailoring with laser light  

Energy Technology Data Exchange (ETDEWEB)

Monodisperse noble metal nanoparticles are of tremendous interest for numerous applications, such as surface-enhanced Raman spectroscopy, catalysis or biosensing. However, preparation of monodisperse metal nanoparticles is still a challenging task, because typical preparation methods yield nanoparticle ensembles with broad shape and/or size distributions. To overcome this drawback, tailoring of metal nanoparticles with laser light has been developed, which is based on the pronounced shape- and size-dependent optical properties of metal nanoparticles. I will demonstrate that nanoparticle tailoring with ns-pulsed laser light is a suitable method to prepare nanoparticle ensembles with a narrow shape and/or size distribution. While irradiation with ns-pulsed laser light during nanoparticle growth permits a precise shape tailoring, post-grown irradiation allows a size tailoring. For example, the initial broad Gaussian size distribution of silver nanoparticles on quartz substrates with a ...

2009-07-15

334

Moderately heavy, heavy-fermion compound YbPd_2Si_2 at low temperatures  

International Nuclear Information System (INIS)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd_2Si_2 are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd_2Si_2, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-T properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple resonant-level model ...

335

Moderately heavy, heavy-fermion compound YbPd sub 2 Si sub 2 at low temperatures  

Energy Technology Data Exchange (ETDEWEB)

The available experimental data on the specific heat, magnetic susceptibility, magnetization, valence, NMR Knight shift and relaxation rate, and the quadrupolar moment of YbPd{sub 2}Si{sub 2} are examined within the framework of the single-ion Anderson model. Such an analysis has previously given excellent agreement between theory and experiment for numerous other light heavy-fermion compounds, where crystalline fields do not play a dominant role. For YbPd{sub 2}Si{sub 2}, substantial crystalline-field splittings make difficult a quantitative comparison with existing exact solutions of the Anderson model. Inconsistencies with the interpretation that a nearly degenerate ground quadruplet determines the low-temperature thermodynamics are pointed out. It is concluded that at least three of the four Kramers doublets participate in the low-{ital T} properties. These three doublets should have a splitting of the order of the Kondo temperature, i.e., about 100 K. A simple ...

1992-07-01

336

Modeling the internal combustion engine  

Energy Technology Data Exchange (ETDEWEB)

A flexible and computationally economical model of the internal combustion engine was developed for use on large digital computer systems. It is based on a system of ordinary differential equations for cylinder-averaged properties. The computer program is capable of multicycle calculations, with some parameters varying from cycle to cycle, and has restart capabilities. It can accommodate a broad spectrum of reactants, permits changes in physical properties, and offers a wide selection of alternative modeling functions without any reprogramming. It readily adapts to the amount of information available in a particular case because the model is in fact a hierarchy of five models. The models range from a simple model requiring only thermodynamic properties to a complex model demanding full combustion kinetics, transport properties, and poppet valve flow characteristics. Among its many features the model includes heat transfer, valve timing, supercharging, motoring, ...

1985-03-01

337

Microwave radiation effects on the thermally driven oxidase of erythrocytes  

Energy Technology Data Exchange (ETDEWEB)

Sheep red blood cells (SRBCs) were labelled with a concanavalin A-luminol-bovine serum albumin conjugate specific for the transmembrane anion transport protein (Band 3) and exposed to 2450-MHz continuous-wave microwave radiation at an average specific absorption rate of 91W/kg for 10 min. The temperature was held constant at 25, 37, 40, 42, or 45C with an airflow heat-exchange system. Following exposure to microwave or air heating, the decrease in residual base-activated chemiluminescence (CL) of the SRBCs was measured as an indication of infield oxidase activity. Air heating resulted in a significant decrease in residual CL at temperatures above 37C (74% decrease at 45C). Microwave radiation inhibited the decline in residual CL above 37C. At 45C the inhibition was 40%. The results suggest microwave radiation either reversibly altered the thermodynamics of oxygen binding to haemoglobin or failed to energize a significant portion of the haemoglobin molecules in each ...

1986-01-01

338

Lithium intercalation in the LiLaNb{sub 2}O{sub 7} perovskite structure; Intercalation du lithium dans la structure perovskite LiLaNb{sub 2}O{sub 7}  

Energy Technology Data Exchange (ETDEWEB)

ABO{sub 3} perovskite-type oxides having vacancies in the A-sites of their structure are interesting candidates for solid electrolytes when their A-sites are occupied by Li{sup +} ions having a high mobility. This is the case with the [Li{sub 3x}La{sub 2/3-x}]TiO{sub 3} solid solution compound which has a 10{sup -3} S cm{sup -1} ionic conductivity at ambient temperature. Electrochemical intercalation in this material is possible thanks to the presence of Ti{sup 4+} but the small amount of vacancies (0.33 maximum) leads to a low intercalation rate. In order to solve this problem, the LiLaNb{sub 2}O{sub 7} material which has a greater amount of vacancies has been studied and the results relative to the electrochemical intercalation of lithium in this perovskite are presented. The thermodynamical and kinetics properties of the lithium intercalation reaction have been studied by intermittent galvano-static discharges and impedance spectroscopy in LiClO{sub 4}-propylene ...

1996-12-31

339

In situ studies of imidazole and its derivatives as copper corrosion inhibitors. I. Activation energies and thermodynamics of adsorption  

Energy Technology Data Exchange (ETDEWEB)

The objective of this work was to investigate the efficiency of imidazole and its derivatives 4-methylimidazone, 4-methyl-5-hydroxymethylimidazone, 1-phenyl-4-methylimidazone, and 1-(p-tolyl)-4-methylimidazole for corrosion inhibition of copper in 0.5 M hydrochloric acid. Corrosion inhibition was studied using potentiodynamic methods. These studies have shown that 1-(p-tolyl)-4-methylimidazole has the best inhibitory efficiency. Activation energies were obtained by measuring the temperature dependence of the corrosion current. The activation energies in the presence of the various inhibitors are low (3--5 kJ/mol), with the best inhibitor showing the highest value. The adsorptive behavior of the imidazole derivatives on the copper electrode surface follows a Freundlich-type isotherm. The standard free energies of adsorption are also low (14--16 kJ/mol), indicating that imidazole and its derivatives physisorb on the copper surface. Possible mechanisms of corrosion inhibition for these ...

2000-02-01

340

High pressure thermogravimetric analysis of the direct sulfation of Spanish calcium-based sorbents  

Energy Technology Data Exchange (ETDEWEB)

Under typical conditions found in Pressurized Fluidized Bed Combustion (PFBC), the calcination reaction of limestones is thermodynamically inhibited, and the sorbent reacts with SO{sub 2} by a direct mechanism. Direct sulfation reactivity of different Spanish sorbents was studied by high-pressure thermogravimetric analysis. It was found that the physical structure of the surface of the particles influence the sulfation behaviour of the sorbents. Total pore volume and pore surface area correlated well with the reactivity of the sorbents. Temperatures between 800 and 925{degree}C, and pressure between 12 and 25 bar, promoted an increase in reactivity, while the gas composition had no effect when changed from 15% CO{sub 2}, 3% O{sub 2}, 0.5% SO{sub 2}, balance N{sub 2} to 12% CO{sub 2}, 7% O{sub 2}, 0.5% SO{sub 2}, balance N{sub 2}. It was found that the unreacted shrinking core model could not satisfactorily describe the sulfation reaction under the conditions ...

1999-02-01

341

Hexene catalytic cracking over 30% sapo-34 catalyst for propylene maximization: influence of reaction conditions and reaction pathway exploration  

Scientific Electronic Library Online (English)

Abstract in english Higher olefins are produced as a by product in a number of refinery processes and are one of the potential raw materials to produce propylene. In the present study, FCC model feed compound was considered to explore the olefin cracking features and options to enhance propylene using 30% SAPO-34 zeolite as catalyst in a micro-reactor. The superior selectivity of propylene (73 wt%) and higher total olefin selectivity was obtained over 30% SAPO-34 catalyst than over Y or ZSM- (more) 5 zeolite catalysts. The thermodynamical constraints were found to be relatively less serious in the case of 1-hexene conversion. Most of the 1-hexene follows a direct cracking pathway to give two propylene molecules, due to weak acid sites and better diffusion opportunities. The higher temperature and short residence time could also suppress the hydrogen transfer reactions. From OPE (olefins performance envelop) the products were classified as primary, secondary, or ...

2009-12-01

342

Heat capacity measurements of atoms and molecules adsorbed on evaporated metal films  

Energy Technology Data Exchange (ETDEWEB)

Investigations of the properties of absorbed monolayers have received great experimental and theoretical attention recently, both because of the importance of surface processes in practical applications such as catalysis, and the importance of such systems to the understanding of the fundamentals of thermodynamics in two dimensions. We have adapted the composite bolometer technology to the construction of microcalorimeters. For these calorimeters, the adsorption substrate is an evaporated film deposited on one surface of an optically polished sapphire wafer. This approach has allowed us to make the first measurements of the heat capacity of submonolayer films of /sup 4/He adsorbed on metallic films. In contrast to measurements of /sup 4/He adsorbed on all other insulating substrates, we have shown that /sup 4/He on silver films occupies a two-dimensional gas phase over a broad range of coverages and temperatures. Our apparatus has been used to study the heat ...

1989-05-01

343

Gas and coal-fired combined cycle plants  

Energy Technology Data Exchange (ETDEWEB)

Fully-fired combined cycle plants utilizing the high temperature gas turbine discharge as gas intake for a coal-fired steam generator were developed in the 1960's. Long-term experience and the excellent reliability statistics of the gas turbines of these plants have proven that the thermodynamic, economical and ecological advantages of combined cycle units over conventional units strongly suggest such plants for fossil-fuel applications. This paper describes the design and operation of these plants. Topics are Gersteinwerk Unit K combined-cycle power plant, plant design concept, design criteria and performance, gas turbines, steam generators, steam turbines, various modes of operation, typical plant start-up, environmental considerations, prototype plants and topping old steam turbine plants. It concludes that combined-cycle plants provide efficiencies over 45% with low NO/sub x/ emission and a low emission rate. 15 refs.

1986-01-01

344

First-principles study of structural, elastic, electronic, and thermal properties of SrTiO_3 perovskite cubic  

International Nuclear Information System (INIS)

In this Letter, we study the structural, elastic and electronic properties of perovskite semiconductor SrTiO_3 using two different methods: the full-potential linearized augmented plane wave (FP-LAPW) method and the pseudo-potential plane wave (PP-PW) scheme in the frame of generalized gradient approximation (GGA). We have evaluated the ground state quantities such as lattice parameter, bulk modulus and its pressure derivative as well as the elastic constants. Also, we have presented the results of the band structure, densities of states and charge densities. These results were in favourable agreement with previous theoretical works and the existing experimental data. To complete the fundamental characteristics of this compound we have analyzed the thermodynamic properties such as thermal expansion coefficient, and specific heats in the whole pressure range from 0 to 20 GPa and temperature range from 0 to 1200 K.

2009-02-23

345

Equilibrium, kinetics and thermodynamic studies on phosphate biosorption from aqueous solutions by Fe(III)-treated Staphylococus xylosus biomass: Common ion effect  

British Library Electronic Table of Contents (United Kingdom)

The biosorption of phosphate from aqueous solutions using Fe(III)-treated Staphylococus xylosus cells was investigated. Langmuir and Freundlich isotherm models were applied to describe the adsorption equilibrium and found that Langmuir isotherm model fitted the equilibrium data better than Freundlich isotherm model. The biosorption capacity of Fe(III)-treated biomass for phosphate was found to be 70.92mg/g at optimum conditions of pH 3.0, biomass concentration 0.5g/L and equilibrium phosphate-biomass time 60min respectively. The sorption efficiency at initial phosphate concentration of 50mg/L was not influenced upon addition of SO4^2^-, Cl^-, CO3^2^-, NO3^-, Mg^2^+ and Ca^2^+ ions from 0 to 800mg/L, whereas under the same conditions, phosphate sorption was increased with increase in concen...

2011-01-01

346

Equilibrium and kinetic studies for the biosorption system of copper(II) ion from aqueous solution using Tectona grandis L.f. leaves powder  

Energy Technology Data Exchange (ETDEWEB)

The biosorption of copper(II) ions from aqueous solution by Tectona grandis L.f. was studied in a batch adsorption system as a function of pH, metal ion concentration, adsorbent concentration and adsorbent size. The biosorption capacities and rates of copper(II) ions onto T. grandis L.f. were evaluated. The Langmuir, Freundlich, Redlich-Peterson and Temkin adsorption models were applied to describe the isotherms and isotherm constants. Biosorption isothermal data could be well interpreted by the Langmuir model with maximum adsorption capacity of 15.43 mg/g of copper(II) ion on T. grandis L.f. leaves powder. The kinetic experimental data properly correlated with the second-order kinetic model. Various thermodynamic parameters such as {delta}G{sup o}, {delta}H{sup o}, and {delta}S{sup o} were calculated indicating that this system was a spontaneous and exothermic process.

2006-09-21

347

Equation of state of laser-shocked compressed iron; Equation d'etat du fer comprime par choc laser  

Energy Technology Data Exchange (ETDEWEB)

This thesis enters the field of highly compressed materials equation of state studies. In particular, it focuses on the case of laser shock compressed iron. This work indeed aims at getting to the conditions of the earth's core, comprising a solid inner core and a liquid outer core. The understanding of phenomena governing the core's thermodynamics and the geodynamic process requires the knowledge of iron melting line locus around the solid-liquid interface at 3.3 Mbar. Several experiments were performed to that extent. First, an absolute measurement of iron Hugoniot was obtained. Following is a study of partially released states of iron into a window material: lithium fluoride (LiF). This configuration enables direct access to compressed iron optical properties such as reflectivity and self-emission. Interface velocity measurement is dominated by compressed LiF optical properties and is used as a pressure gauge. Using a dual wavelength ...

2004-01-01

348

Enthalpy changes upon partial evaporation of aqueous solutions containing ammonia and carbon dioxide  

Energy Technology Data Exchange (ETDEWEB)

The thermodynamic properties of aqueous solutions containing ammonia and sour gases such as carbon dioxide, sulfur dioxide, or hydrogen sulfide must be known in many applications. A typical example is the cleaning of raw gases in power stations. The enthalpy changes upon partial evaporation of aqueous solutions containing ammonia and of aqueous solutions containing ammonia and carbon dioxide were measured at temperatures from 313 to 393 K with a thin film evaporator flow calorimeter. The molalities of ammonia and carbon dioxide entering the calorimeter ranged up to 12 and 6 mol/kg, respectively. The physicochemical model originally developed by Edwards et al. (1978) and further modified and extended by Kurz et al. (1995) to describe phase equilibria in aqueous systems containing ammonia and carbon dioxide is used to derive a predictive enthalpy model for this complex, chemical reactive system. Comparisons between the new experimental results for the enthalpy change ...

1998-08-01

349

Electrode reaction of Pu{sup 3+}/Pu couple in LiCl-KCl eutectic melts: comparison of the electrode reaction at the surface of liquid Bi with that at a solid Mo electrode  

Energy Technology Data Exchange (ETDEWEB)

The electrode reaction of Pu{sup 3+}/Pu couple at the interface between LiCl-KCl eutectic melt containing PuCl{sub 3} and liquid Bi phase was investigated by cyclic voltammetry at 723, 773 and 823 K. For comparison, the system was also studied using a solid Mo electrode in place of the liquid Bi electrode. It was found that the electrode reaction of Pu{sup 3+}/Pu couple at the Bi electrode was almost reversible. The redox potentials of Pu{sup 3+}/Pu couple at the liquid Bi electrode in the LiCl-KCl eutectic melt containing 0.87 wt% PuCl{sub 3} (0.0014 mole fraction) at 723, 773 and 823 K were observed to be more positive by 0.575, 0.572 and 0.566 V, respectively, than those at the Mo electrode. These differences in potential were thermodynamically analyzed by assuming a lowering of the activity of Pu in Bi phase according to the alloy formation of PuBi{sub 2}. (author)

2001-01-01

350

Effect of water activity on the lipase catalyzed esterification of geraniol in ionic liquid [bmim]PF6.  

Science.gov (United States)

Enzymatic reactions in non-aqueous media have been shown to be effective in carrying out chemical transformation where the reactants are insoluble in water or water is a byproduct limiting conversion. Ionic liquids, liquid organic salts with infinitesimal vapor pressure, are potentially useful alternatives to organic solvents. It is known that the thermodynamic water activity is an important variable affecting the activity of enzymes in non-aqueous solvents. This study investigated the influence of water activity on the esterification of geraniol with acetic acid in ionic liquid [bmim]PF6 catalyzed by immobilized Candida antarctica lipase B. The conversion of geraniol in [bmim]PF6 was significant although the reaction rate was slower than in organic solvents. The profile of initial reaction rate-water activity was determined experimentally, and differed from the data reported for other non-aqueous solvents. A maximum in the initial reaction rate was found at aw = ...

2006-02-01

351

Effect of various coal contaminants on the performance of solid oxide fuel cells: Part II. ppm and sub-ppm level testing  

Energy Technology Data Exchange (ETDEWEB)

The poisoning effects of various trace contaminants in the coal-derived syngas stream at ppm and sub-ppm level on the performance of Ni-YSZ/YSZ/LSM solid oxide fuel cells were studied at extended duration. The thermochemical nature of impurities such as PH{sub 3}(g) and CH{sub 3}Cl(g) in presence and absence of water steam was analyzed by a high temperature mass spectrometer. Only less than half of PH{sub 3}(g) is hydrolyzed, and CH{sub 3}Cl(g) also co-exist with HCl(g). After a certain duration of exposure, 1 ppm AsH{sub 3}(g), 0.5 ppm PH{sub 3}(g), and 2.5 ppm CH{sub 3}Cl(g) all caused some degree of degradation to the power density at 750 C. Whereas 1 ppm of H{sub 2}S(g) resulted in immediate performance loss. The mechanisms of degradation are mainly divided into two categories: surface adsorption effect (for S and Cl) and bulk reaction effect (for As and P). The controversies regarding the poisoning effect and mechanism of S are also discussed with the aid of ...

2009-09-05

352

Development of tough #alpha#-SiAlON  

International Nuclear Information System (INIS)

The development of tough #alpha#-SiAlON with elongated grains in the last five years is summarized. This progress has been guided by the improved understanding of phase relations and nucleation/growth kinetics in SiAlON ceramics. Although most #alpha#-SiAlON compositions can be processed to contain some elongated grains, their microstructure, fracture toughness and R-curve behavior vary greatly. Such variability is due to the different phase stability of #alpha#-SiAlONs and the varying physical chemistry of the competing phases, including the transient/residual liquid. For this reason, microstructure control of #alpha#-SiAlON must pay close attention to the composition, starting powder and heating schedule. Seeding with single crystals of an appropriate #alpha#-SiAlON composition provides an attractive alternative that simplifies the task of microstructure control, since such seeds are thermodynamically stable and they completely dominate the nucleation statistics. ...

353

Crystallohydrate forms of trisubstituted uranyl orthophosphate  

International Nuclear Information System (INIS)

The conditions of production and the stability regions have been studied for the following crystallohydrates of trisubstituted uranyl orthophosphates: (UO_2)_3(PO_4)_2x6H_2O, (UO_2)_3(PO_4)_2x4H_2O, and (UO_2)_3(PO_4)_2xH_2O. Their thermal stability has been studied. It is shown that thermal dehydration of high-water hydrates at 220-240 deg C gives (UO_2)_3(PO_4)_2xH_2O. The anion composition and crystal structure of the compound remain constant up to 1000 deg C. The mixture of the composition of U_3O_8xU_3(PO_4)_4 is the final product of decomposition at 1000 deg C. The thermodynamic constants of dehydration processes have been calculated. A conclusion has been made about the polymer structure of the compound in which water is located between the uranylphosphate layers.

354

Corrosion resistant coatings for silicon carbide heat exchanger tubes -- Volume 3. Final report  

Energy Technology Data Exchange (ETDEWEB)

The development of a silicon carbide (SiC) heat exchanger is a critical step in the development of the Externally-Fired Combined Cycle (EFCC) power system. SiC is the only material that provides the necessary combination of resistance to creep, thermal shock, and oxidation. While the SiC structure materials provide the thermomechanical and thermophysical properties needed for an efficient system, the mechanical properties of the SiC tubes are severely degraded through corrosion by the coal combustion products. To obtain the necessary service life of thousands of hours at temperature, a protective coating is needed that is stable with both the SiC tube and the coal combustion products, resists erosion from the particle laden gas stream, is thermal shock resistant, adheres to SiC during repeated thermal shocks (start-up, process upsets, shut-down), and allows the EFCC system to be cost competitive. This demanding set of technical performance and cost drivers was used in reviewing and ...

1996-06-07

355

Corrosion inhibition of mild steel by alkylimidazolium ionic liquids in hydrochloric acid  

Energy Technology Data Exchange (ETDEWEB)

The acid corrosion inhibition process of mild steel in 1 M HCl by 1-butyl-3-methylimidazolium chlorides (BMIC) and 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM]HSO{sub 4}) has been investigated using electrochemical impedance, potentiodynamic polarization and weight loss measurements. Potentiodynamic polarization studies indicate the studied inhibitors are mixed type inhibitors. For both inhibitors, the inhibition efficiency increased with increase in the concentration of the inhibitor and the effectiveness of the two inhibitors are in the order [BMIM]HSO{sub 4} > BMIC. The adsorption of the inhibitors on mild steel surface obeyed the Langmuir's adsorption isotherm. The effect of temperature on the corrosion behavior in the presence of 5 x 10{sup -3} M of inhibitors was studied in the temperature range of 303-333 K. The associated activation energy of corrosion and other thermodynamic parameters such as enthalpy of activation ({delta}H), ...

2009-02-15

356

Corrosion inhibition of mild steel by alkylimidazolium ionic liquids in hydrochloric acid  

International Nuclear Information System (INIS)

The acid corrosion inhibition process of mild steel in 1 M HCl by 1-butyl-3-methylimidazolium chlorides (BMIC) and 1-butyl-3-methylimidazolium hydrogen sulfate ([BMIM]HSO_4) has been investigated using electrochemical impedance, potentiodynamic polarization and weight loss measurements. Potentiodynamic polarization studies indicate the studied inhibitors are mixed type inhibitors. For both inhibitors, the inhibition efficiency increased with increase in the concentration of the inhibitor and the effectiveness of the two inhibitors are in the order [BMIM]HSO_4 > BMIC. The adsorption of the inhibitors on mild steel surface obeyed the Langmuir's adsorption isotherm. The effect of temperature on the corrosion behavior in the presence of 5 x 10"-"3 M of inhibitors was studied in the temperature range of 303-333 K. The associated activation energy of corrosion and other thermodynamic parameters such as enthalpy of activation (#DELTA#H), entropy of activation ...

2009-02-15

357

Consistency of the phenomenological theories of wave-type heat transport with the hydrodynamics of a phonon gas  

International Nuclear Information System (INIS)

Various phenomenological theories of wave-type heat transport, which can be interpreted as the models of an isotropic rigid heat conductor with an internal vector state variable, have been proposed in the literature with the objective to describe the second sound propagation in dielectric crystals. The aim of this paper is to analyze the relation between these phenomenological approaches and the phonon gas hydrodynamics. The four-moment phonon gas hydrodynamics based on the maximum entropy closure of the moment equations with nonlinear isotropic phonon dispersion relation is considered for this purpose. We reformulate the equations of this hydrodynamics in terms of energy and quasi-momentum as the primitive fields and subsequently demonstrate that, from the macroscopic point of view, they can be understood as describing the reference model of an isotropic rigid heat conductor with quasi-momentum playing the role of the internal vector state variable. This model is determined by the ...

2010-09-24

358

Comparative study of phase stability and film morphology in thin-film M/GaAs systems (M = Co, Rh, Ir, Ni, Pd, and Pt)  

Energy Technology Data Exchange (ETDEWEB)

To attain reproducible and stable contacts to compound semiconductor devices, it is necessary to achieve thermodynamically stable phases after the reaction of metals with the compound semiconductor. In this study, the final phases produced by the reactions between GaAs and thin metal films of Co, Rh, Ir, Ni, Pd, and Pt have been investigated. They are identified as MGa for M = Co, Rh, Ni, Pd, and Pt, monoarsenides of Co and Ni, diarsenides of Rh, Ir, Pd, and Pt, and Ir/sub 3/Ga/sub 5/. These phases, if deposited directly onto GaAs, will produce thermally stable contacts. In addition to the identification of these stable phases, analyses of the products of thin-film M/GaAs reactions by transmission electron microscopy, x-ray diffraction, and Rutherford backscattering spectrometry reveal the distribution, grain size, and crystallographic texture of these end phases. Trends in these observations across the six metal/GaAs reactions studied are explained by considering ...

1987-09-01

359

Chiral salicyloxazolines as auxiliaries for the asymmetric synthesis of ruthenium polypyridyl complexes.  

Science.gov (United States)

Chiral auxiliaries are promising emerging tools for the asymmetric synthesis of octahedral metal complexes. We recently introduced chiral salicyloxazolines as coordinating bidentate chiral ligands which provide excellent control over the metal-centered configuration in the course of ligand substitution reactions and can be removed afterward in an acid-induced fashion under complete retention of configuration (J. Am. Chem. Soc. 2009, 131, 9602-9603). Here reported is our detailed investigation of this sequence of reactions, affording virtually enantiopure ruthenium polypyridyl complexes. The control of the metal-centered chirality by the coordinated chiral salicyloxazolinate ligand was evaluated as a function of reaction conditions, the employed bidentate 2,2'-bipyridine and 1,10-phenanthroline ligands, and the substituent at the asymmetric 5-position of the oxazoline heterocycle. Most striking was the strong influence of the reaction solvent, with aprotic solvents of lower polarity ...

2010-09-01

360

CdS and ZnS quantum dots embedded in hyaluronic acid films  

Energy Technology Data Exchange (ETDEWEB)

An in situ synthesis of ZnS and CdS quantum dots (QDs) in an aqueous solution of sodium hyaluronate (Hyal) produced foils emitting light on excitation with a UV light. The wavelength of emission was only slightly QDs size and more QDs concentration dependent and reached up to {approx}320 nm in the case of ZnS and {approx}400-450 nm in the case of CdS. Nanoparticles remained as non-agglomerated 10-20 nm nanoclusters. CdS/Hyal and ZnS/Hyal-QDs biocomposites were characterized using photoluminescence (PL), IR spectrometric techniques, and Transmission Electron Microscopy (TEM). The absolute molecular weights, radii of gyration, R{sub g}, and thermodynamic properties of the obtained foils are given. Electric resistivity studies performed for the hyaluronic foil in the 100-1000 V range have revealed that the hyaluronate foil has very weak conducting properties and QDs only insignificantly affect those properties as QDs practically did not interact with the foil. Size ...

2009-07-29

361

Biosorption of copper (II) onto immobilized cells of Pycnoporus sanguineus from aqueous solution: Equilibrium and kinetic studies  

Energy Technology Data Exchange (ETDEWEB)

The ability of white-rot fungus, Pycnoporus sanguineus to adsorb copper (II) ions from aqueous solution is investigated in a batch system. The live fungus cells were immobilized into Ca-alginate gel to study the influence of pH, initial metal ions concentration, biomass loading and temperature on the biosorption capacity. The optimum uptake of Cu (II) ions was observed at pH 5 with a value of 2.76 mg/g. Biosorption equilibrium data were best described by Langmuir isotherm model followed by Redlich-Peterson and Freundlich models, respectively. The biosorption kinetics followed the pseudo-second order and intraparticle diffusion equations. The thermodynamic parameters enthalpy change (10.16 kJ/mol) and entropy change (33.78 J/mol K) were determined from the biosorption equilibrium data. The FTIR analysis showed that -OH, -NH, C-H, C=O, -COOH and C-N groups were involved in the biosorption of Cu (II) ions onto immobilized cells of P. sanguineus. The immobilized cells ...

2009-01-15

362

Biosorption of Ni (II) by Schizosaccharomyces pombe: kinetic and thermodynamic studies  

British Library Electronic Table of Contents (United Kingdom)

The potential of the dried yeast, wild-type Schizosaccharomyces pombe, to remove Ni(II) ion was investigated in batch mode under varying experimental conditions including pH, temperature, initial metal ion concentration and biosorbent dose. Optimum pH for biosorption was determined as 5.0. The highest equilibrium uptake of Ni(II) on S. pombe, q e, was obtained at 25??C as 33.8?mg?g?1. It decreased with increasing temperature within a range of 25?50??C denoting an exothermic behaviour. Increasing initial Ni(II) concentration up to 400?mg?L?1 also elevated equilibrium uptake. No more adsorption took place beyond 400?mg?L?1. Equilibrium data fitted better to Langmuir model rather than Freundlich model. Sips, Redlich?Peterson, and Kahn isotherm equations modelled the investigated system with a...

2011-01-01

363

Biosorption of Acid Red 274 (AR 274) on Enteromorpha prolifera in a batch system  

Energy Technology Data Exchange (ETDEWEB)

The biosorption of Acid Red 274 (AR 274) dye on Enteromorpha prolifera, a green algae grown on Mersin costs of the Mediterranean, Turkey, was studied as a function of initial pH, temperature, initial dye and biosorbent concentration. The experiments were conducted in a batch manner. The Langmuir and Freundlich isotherms were used for modelling the biosorption equilibrium. At optimum temperature 30 deg C and initial pH 2.0-3.0, the Langmuir isotherm fits best to the experimental equilibrium data with a maximum monolayer coverage of 244 mg/g. The equilibrium AR 274 concentration of the exit stream of a single batch was also obtained by using the experimental equilibrium curve and operating line graphically. The pseudosecond-order kinetic model and Weber-Morris model were applied to the experimental data and it was found that both the surface adsorption as well as intraparticle diffusion contribute to the actual adsorption process. The biosorption process follows a pseudosecond-order ...

2005-11-11

364

BIMETALLIC LITHIUM BOROHYDRIDES TOWARD REVERSIBLE HYDROGEN STORAGE  

Energy Technology Data Exchange (ETDEWEB)

Borohydrides such as LiBH{sub 4} have been studied as candidates for hydrogen storage because of their high hydrogen contents (18.4 wt% for LiBH{sub 4}). Limited success has been made in reducing the dehydrogenation temperature by adding reactants such as metals, metal oxides and metal halides. However, full rehydrogenation has not been realized because of multi-step decomposition processes and the stable intermediate species produced. It is suggested that adding second cation in LiBH{sub 4} may reduce the binding energy of B-H. The second cation may also provide the pathway for full rehydrogenation. In this work, several bimetallic borohydrides were synthesized using wet chemistry, high pressure reactive ball milling and sintering processes. The investigation found that the thermodynamic stability was reduced, but the full rehydrogenation is still a challenge. Although our experiments show the partial reversibility of the bimetallic borohydrides, it was not ...

2010-10-21

365

Application of calibration-free laser-induced breakdown spectroscopy to radially resolved spectra from a copper-based alloy laser-induced plasma  

Energy Technology Data Exchange (ETDEWEB)

In this work, the Calibration-Free approach for Laser-Induced Breakdown Spectroscopy (CF-LIBS) was applied for the first time to radially resolved spectra emitted by a laser-induced plasma. The radial profiles of plasma temperature and electron number density were used to calculate the local relative concentration of the elements of interest. We analyzed a set of profiles of the local spectral emission coefficient obtained previously by means of spatial deconvolution of the spectra from a copper-based alloy (Cu 93, Fe 5, Mn 1, Ni 1 wt.%) laser-induced plasma. A spatially integrated spectrum of the same plasma was also analyzed for comparison purpose. The relative abundance of the minor components Fe, Mn and Ni was calculated. The results obtained from the central region of the plasma were closer to the nominal concentrations than those obtained from the spatially integrated spectrum. However, an increasing deviation was observed towards the plasma edge. It is proposed that this ...

2009-07-15

366

Application of calibration-free laser-induced breakdown spectroscopy to radially resolved spectra from a copper-based alloy laser-induced plasma  

International Nuclear Information System (INIS)

In this work, the Calibration-Free approach for Laser-Induced Breakdown Spectroscopy (CF-LIBS) was applied for the first time to radially resolved spectra emitted by a laser-induced plasma. The radial profiles of plasma temperature and electron number density were used to calculate the local relative concentration of the elements of interest. We analyzed a set of profiles of the local spectral emission coefficient obtained previously by means of spatial deconvolution of the spectra from a copper-based alloy (Cu 93, Fe 5, Mn 1, Ni 1 wt.%) laser-induced plasma. A spatially integrated spectrum of the same plasma was also analyzed for comparison purpose. The relative abundance of the minor components Fe, Mn and Ni was calculated. The results obtained from the central region of the plasma were closer to the nominal concentrations than those obtained from the spatially integrated spectrum. However, an increasing deviation was observed towards the plasma edge. It is proposed that this ...

2009-07-01

367

Analyses of mixed-hydrocarbon binary thermodynamic cycles for moderate-temperature geothermal resources using regeneration techniques  

Energy Technology Data Exchange (ETDEWEB)

Studies of basic binary geothermal cycles utilizing mixtures of hydrocarbons have shown better performance than for pure fluids for a moderate temperature (360/sup 0/F) resource. However, a loss is net geofluid effectiveness (watt-hours net plant output/1bm geofluid) results when the geofluid outlet temperature is limited to temperatures in excess of 160/sup 0/F to alleviate a silica precipitation problem. This study examined three working fluids consisting of binary mixtures of hydrocarbons to see if use of regenerative preheating techniques such as turbine exhaust recupation and/or turbine bleed could recover the loss in geofluid effectiveness for a 160/sup 0/F geofluid outlet temperature. Results showed that with the most promising of the three working fluids a turbine exhaust recuperator alone is sufficient to recover all the lost effectiveness while maintaining the geofluid outlet temperature at 160/sup 0/F. A brief study to investigate cold weather operation with that working ...

1981-12-01

368

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

Energy Technology Data Exchange (ETDEWEB)

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 ...

1981-02-01

369

Analyses of mixed hydrocarbon binary thermodynamic cycles for moderate temperature geothermal resources using regeneration techniques  

Energy Technology Data Exchange (ETDEWEB)

Studies have shown that binary geothermal cycles utilizing mixed-hydrocarbon working fluids can result in better performance than those utilizing pure fluids for moderate temperature (360F) resources. However, a loss in net geofluid effectiveness results when the geofluid outlet is limited to temperatures in excess of 160F to alleviate potential silica precipitation. This study examined three mixed-hydrocarbon working fluids to see if use of regenerative preheating techniques such as turbine exhaust recuperation and/or turbine bleed could recover this loss. Results showed that with the most promising of the three working fluids, a turbine-exhaust recuperator alone is sufficient to recover all the lost effectiveness while maintaining the geofluid outlet temperature at 160F. A brief study to investigate cold weather operation with the recuperator showed no major detrimental response of the system; however, silica precipitation may present a problem in extremely cold weather, as the ...

1982-08-01

370

Abnormal phase transition in BiNbO4 powders prepared by a citrate method  

British Library Electronic Table of Contents (United Kingdom)

Triclinic b-BiNbO4 prepared below 750^oC and above 1040^oC (denoted as Low-b and High-b, respectively) and pure orthorhombic a-BiNbO4 at 900^oC were successfully derived from a citrate method and the phase transition from b-BiNbO4 to a-BiNbO4 was first observed in BiNbO4 powders. This phenomenon proves that the abnormal phase transition from b-BiNbO4 to a-BiNbO4 exists in BiNbO4 powder system. The synthesis of Low-b powders can be attributed to the formation of the intermediate phase of Bi5Nb3O15 by the citrate method. With increasing temperature, the Low-b phase gradually turns into a-BiNbO4 due to the thermodynamically metastable state of Low-b. We also identified that the stress in pellet format can accelerate the phase transition from Low-b to a phase of BiNbO4 in comparison with powde...

2011-01-01

371

A unified model of combined energy systems with different cycle modes and its optimum performance characteristics  

Energy Technology Data Exchange (ETDEWEB)

A unified model is presented for a class of combined energy systems, in which the systems mainly consist of a heat engine, a combustor and a counter-flow heat exchanger and the heat engine in the systems may have different thermodynamic cycle modes such as the Brayton cycle, Carnot cycle, Stirling cycle, Ericsson cycle, and so on. Not only the irreversibilities of the heat leak and finite-rate heat transfer but also the different cycle modes of the heat engine are considered in the model. On the basis of Newton's law, expressions for the overall efficiency and power output of the combined energy system with an irreversible Brayton cycle are derived. The maximum overall efficiency and power output and other relevant parameters are calculated. The general characteristic curves of the system are presented for some given parameters. Several interesting cases are discussed in detail. The results obtained here are very general and significant and can be used to ...

2009-06-15

372

A statistically-selected Chandra sample of 20 galaxy clusters -- II. Gas properties and cool-core/non-cool core bimodality  

CERN Document Server

We investigate the thermodynamic and chemical structure of the intracluster medium (ICM) across a statistical sample of 20 galaxy clusters analysed with the Chandra X-ray satellite. In particular, we focus on the scaling properties of the gas density, metallicity and entropy and the comparison between clusters with and without cool cores (CCs). We find marked differences between the two categories except for the gas metallicity, which declines strongly with radius for all clusters (Z ~ r^{-0.31}), outside ~0.02 r500. The scaling of gas entropy is non-self-similar and we find clear evidence of bimodality in the distribution of logarithmic slopes of the entropy profiles. With only one exception, the steeper sloped entropy profiles are found in CC clusters whereas the flatter slope population are all non-CC clusters. We explore the role of thermal conduction in stabilizing the ICM and conclude that this mechanism alone is sufficient to balance cooling in non-CC ...

2009-01-01

373

A new efficient and simple concept for electric power generation and its thermodynamic optimization  

Energy Technology Data Exchange (ETDEWEB)

Modern combined cycle power plants with natural gas as the only fuel reach efficiencies of up to 55% for electric power generation. Nevertheless the reserve of natural gas is more limited compared to the reserve of coal. Therefore possibilities should be investigated to use coal for such plants also. One concept, that combines the use of coal in a combined cycle application with high efficiencies is examined in this paper. According to this concept the exhaust gas of the gas turbine (vitiated air) is the combustion air for the pulverized coal combustion, that takes place in the bottoming steam generator. Due to the low oxygen content of the vitiated air the burnout of the coal may be incomplete. In order to avoid the incomplete combustion of the coal and the resulting decrease of the efficiency of the plant and possible emission problems, a catalyst, that converts carbon monoxide and unburnt carbon to carbon dioxide, shall be installed between the heating surfaces of the boiler. The ...

1994-12-31

374

A new approach to the prediction of the thermodiffusion for linear chain hydrocarbon binary mixtures  

Energy Technology Data Exchange (ETDEWEB)

Many attempts have been made to generate reliable thermodiffusion coefficient models for binary mixtures. This paper presented a simple analytical model for the prediction of thermal diffusion coefficients in linear chain hydrocarbon binary mixtures using the thermodynamics of irreversible process. More specifically, the model represented the net heat transport, or the energy of detaching a molecule from its neighbours in the region of the binary mixture minus the energy given up in that region when one molecule fills a hole, and examined its accuracy by comparing theoretical results with available experimental data for linear chain hydrocarbon binary mixtures. The new model was based on phenomenological and kinetic approaches which have been found to be the most reliable. The paper discussed the net heat of transport for each component in the binary mixtures and presented the results of the investigation. The perturbed chain statistical associating fluid theory ...

2009-07-01

375

A method of predicting pressure profiles in horizontal 37-element clusters  

International Nuclear Information System (INIS)

A new two-phase friction multiplier correlation has been developed to predict the pressure profile in two-phase flow with heat addition. The main difference from other pressure drop prediction routines is that in addition to the effect of quality, the effects of system pressure, heat and mass flux on the two-phase multiplier are included. The inception of two-phase flow is defined to occur at the onset of significant void in the subcooled boiling regime instead of the boundary between negative and positive thermodynamic equilibrium quality. Pressure drop data from an experiment with a fully segmented 6-metre long, 37-element fuel string were used to optimize the constants and exponents of this correlation for the friction multiplier. This pressure drop prediction technique was shown to successfully predict the measured pressure profiles. The more than one hundred overall pressure drop data were predicted with an RMS error of 5.4 percent. The pressure drop measured ...

1983-04-18

376

THERMODYNAMICS AND KINETICS OF AQUEOUS PIPERAZINE WITH POTASSIUM CARBONATE FOR CARBON DIOXIDE ABSORPTION  

Energy Technology Data Exchange (ETDEWEB)

This work proposes an innovative blend of potassium carbonate (K{sub 2}CO{sub 3}) and piperazine (PZ) as a solvent for CO{sub 2} removal from combustion flue gas in an absorber/stripper. The equilibrium partial pressure and the rate of absorption of CO{sub 2} were measured in a wetted-wall column in 0.0 to 6.2 m K{sup +} and 0.6 to 3.6 m PZ at 25 to 110 C. The equilibrium speciation of the solution was determined by {sup 1}H NMR under similar conditions. A rigorous thermodynamic model, based on electrolyte non-random two-liquid (ENRTL) theory, was developed to represent equilibrium behavior. A rate model was developed to describe the absorption rate by integration of eddy diffusivity theory with complex kinetics. Both models were used to explain behavior in terms of equilibrium constants, activity coefficients, and rate constants. The addition of potassium to the amine increases the concentration of CO{sub 3}{sup 2-}/HCO{sub 3}{sup -} in solution. The buffer ...

2005-04-18

377

Scaling of the distribution function and the critical exponents near the point of a marginal stability under the Vlasov-Poisson equations  

Energy Technology Data Exchange (ETDEWEB)

A model system, described by the consistent Vlasov-Poisson equations under periodical boundary conditions, has been studied numerically near the point of a marginal stability. The power laws, typical for a system, undergoing a second-order phase transition, hold in a vicinity of the critical point: (i) A {proportional_to} -{theta}{sup {beta}}, {beta}=1.907{+-}0.006 for {theta} {<=} 0, where A is the saturated amplitude of the marginally-stable mode; (ii) {chi} {proportional_to} {theta}{sup -{gamma}} as {theta} {yields} 0, {gamma}={gamma}{sub -}=1.020{+-}0.008 for {theta} < 0, and {gamma}={gamma}{sub +}=0.995{+-}0.020 for {theta} > 0, where {chi}={partial_derivative}A/{partial_derivative}F{sub 1} at F{sub 1} {yields} 0 is the susceptibility to external drive of the strain F{sub 1}; (iii) at {theta}=0 the system responds to external drive as A {proportional_to} F{sub 1}{sup 1/{delta}}, and {delta}=1.544{+-}0.002. {theta}=(<v{sup 2}>-<v{sub ...

2000-08-01

378

Basis for the design of combined fuel cell powerstations; Grundsaetze der Auslegung kombinierter Brennstoffzellen-Kraftwerke  

Energy Technology Data Exchange (ETDEWEB)

A comparative process can be shown for the design of combined fuel cell powerstations. It is worth noting that the output of a combined powerstation working reversibly is independent of the thermodynamic state of the cell, and only depends on the reaction and thermodynamic state of the environment. The potential efficiency of gas-fired combined fuel cell powerstations is estimated at 80%. The fuel cell proves to be an isothermal heat source and not an adiabatic fluegas generator. This applies generally for all combustion power processes. Compared with external reforming, the integration of the reforming in the whole process leads to distinct advantages in efficiency if the possibilities of using the waste heat of intermediate thermal power processes are fully exploited. The plant implementation with an SOFC gas turbine process shows that realisation of a relatively simple plant concept leads to efficiencies distinctly above 70%. The enclosure ...

1995-12-31

379

Advanced Binary Geothermal Power Plancts Working Fluid Property Determination and Heat Exchanger Design  

Energy Technology Data Exchange (ETDEWEB)

The performance of binary geothermal power plants can be improved through the proper choice of a working fluid, and optimization of component designs and operating conditions. This paper reviews the investigations at the Idaho National Engineering Laboratory (INEL) which are examining binary cycle performance improvements: for moderate temperature (350 to 400 F) resources with emphasis on how the improvements may be integrated into design of binary cycles. These investigations are examining performance improvements resulting from the supercritical vaporization of mixed hydrocarbon working fluids and achieving countercurrent integral condensation with these fluids, as well as the modification of the turbine inlet state points to achieve supersaturated turbine vapor expansions. For resources where the brine outlet temperature is restricted, the use of turbine exhaust recuperators is examined. The baseline plant used to determine improvements in plant performance (characterized by the ...

1989-03-21

380

Catalytic hydrothermal gasification of biomass for the production of synthetic natural gas[Dissertation 17100  

Energy Technology Data Exchange (ETDEWEB)

Energy from biomass is a CO{sub 2} neutral, sustainable form of energy. Anaerobic digestion is an established technology for converting biomass to biogas, which contains around 60% methane, besides CO{sub 2} and various contaminants. Most types of biomass contain material that cannot be digested; in woody biomass, this portion is particularly high. Therefore, conventional anaerobic digestion is not suited for the production of biogas from woody biomass. While wood is already being converted to energy by conventional thermal methods (gasification with subsequent methanation), dung, manure, and sewage sludge represent types of biomass whose energy potential remains largely untapped (present energetic use of manure in Switzerland: 0.4%). Conventional gas phase processes suffer from a low efficiency due to the high water content of the feed (enthalpy of vaporization). An alternative technology is the hydrothermal gasification: the water contained within the biomass serves as reaction ...

2007-07-01

381

Characterization of the deviation of the ideality of concentrated electrolytic solutions: plutonium 4 and uranium 4 nitrate salts study; Contribution a la caracterisation de l'ecart a l'idealite des solutions concentrees d'electrolytes: application aux cas de nitrates de plutonium (4) et d'uranium (4)  

Energy Technology Data Exchange (ETDEWEB)

The purpose of this work was to establish a new binary data base by compiling the activity coefficients of plutonium and uranium at oxidation state +IV to better account for media effects in the liquid-liquid extraction operations implemented to reprocess spent nuclear fuel. Chapter 1: first reviews the basic thermodynamic concepts before describing the issues involved in acquiring binary data for the tetravalent actinides. The difficulties arise from two characteristics of this type of electrolyte: its radioactive properties (high specific activity requiring nuclearization of the experimental instrumentation) and its physicochemical properties (strong hydrolysis). After defining the notion of fictive binary data, an approach based on the thermodynamic concept of simple solutions is described in which the activity coefficient of an aqueous phase constituent is dependent on two parameters: the water activity of the system and the total ...

2000-07-01

382

Utilization of fermentation waste (Corynebacterium glutamicum) for biosorption of Reactive Black 5 from aqueous solution  

Energy Technology Data Exchange (ETDEWEB)

A fermentation waste, Corynebacterium glutamicum, was successfully employed as a biosorbent for Reactive Black 5 (RB5) from aqueous solution. This paper initially studied the effect of pretreatment on the biosorption capacity of C. glutamicum toward RB5, using several chemical agents, such as HCl, H{sub 2}SO{sub 4}, HNO{sub 3}, NaOH, Na{sub 2}CO{sub 3}, CaCl{sub 2} and NaCl. Among these reagents, 0.1 M HNO{sub 3} gave the maximum enhancement of the RB5 uptake, exhibiting 195 mg/g at pH 1 with an initial RB5 concentration of 500 mg/l. The solution pH and temperature were found to affect the biosorption capacity, and the biosorption isotherms derived at different pHs and temperatures revealed that a low pH (pH 1) and high temperature (35 deg. C) favored biosorption. The biosorption isotherm was well represented using three-parameter models (Redlich-Peterson and Sips) compared to two-parameter models (Langmuir and Freundlich models). As a result, high correlation coefficients and low ...

2007-03-06

383

Trivalent chromium removal from wastewater using low cost activated carbon derived from agricultural waste material and activated carbon fabric cloth  

International Nuclear Information System (INIS)

An efficient adsorption process is developed for the decontamination of trivalent chromium from tannery effluents. A low cost activated carbon (ATFAC) was prepared from coconut shell fibers (an agricultural waste), characterized and utilized for Cr(III) removal from water/wastewater. A commercially available activated carbon fabric cloth (ACF) was also studied for comparative evaluation. All the equilibrium and kinetic studies were conducted at different temperatures, particle size, pHs, and adsorbent doses in batch mode. The Langmuir and Freundlich isotherm models were applied. The Langmuir model best fit the equilibrium isotherm data. The maximum adsorption capacities of ATFAC and ACF at 25 deg. C are 12.2 and 39.56 mg/g, respectively. Cr(III) adsorption increased with an increase in temperature (10 deg. C: ATFAC-10.97 mg/g, ACF-36.05 mg/g; 40 deg. C: ATFAC-16.10 mg/g, ACF-40.29 mg/g). The kinetic studies were conducted to delineate the effect of temperature, initial adsorbate ...

2006-07-31

384

Thermodynamics of complexation of aqueous 18-crown-6 with potassium ion: apparent molar volumes and apparent molar heat capacities of aqueous 18-crown-6 and of the (18-crown-6 + potassium chloride) complex at temperatures (278.15 to 393.15) K, at molalities (0.02 to 0.3) mol . kg"-"1, and at the pressure 0.35 MPa  

International Nuclear Information System (INIS)

We have measured the densities at temperatures T = (278.15 to 363.15) K and heat capacities at T = (278.15 to 393.15) K of aqueous solutions of 18-crown-6 and of (18-crown-6 + KCl) at molalities m = (0.02 to 0.3) mol . kg"-"1 and at the pressure 0.35 MPa. We have calculated apparent molar volumes V_#phi# and apparent molar heat capacities C_p_,_#phi# for 18-crown-6(aq), and we have applied Young's Rule and have accounted for chemical speciation and relaxation effects to resolve V_#phi# and C_p_,_#phi# for the (18-crown-6: K"+,Cl"-)(aq) complex in the mixture. We have also calculated estimates of the change in volume #DELTA#_rV_m, the change in heat capacity #DELTA#_rC_p_,_m, the change in enthalpy #DELTA#_rH_m, and the equilibrium quotient log Q for formation of the complex at T = (278.15 to 393.15) K and m = (0 to 0.3) mol . kg"-"1.

2004-12-01

385

The technology of high-temperature reactors. Design, construction, commissioning, operation of the Juelich AVR and the THTR-300; Die Technik der Hochtemperaturreaktoren. Konstruktion - Bau - Inbetriebnahme - Betrieb des AVR Juelich und des THTR-300  

Energy Technology Data Exchange (ETDEWEB)

The AVR experimental nuclear reactor was Professor Dr. Rudolf Schulten's brainchild. Visionary ideas led to the success of this technology: - Helium coolant because of the particularly high heat transfer coefficients; - an integrated primary system reactor concept as the basis of all safety considerations in the interest of maximum safety; - uranium-235 and thorium-232 fuel allowing new fuel to be bred; - high temperatures for electricity generation at maximum thermodynamic efficiencies, i.e. optimum fuel utilization; - the possibility to run chemical processes economically at high temperatures by means of nuclear fuels; - the inherent safety of the reactor, for a major accident accompanied by a complete loss of cooling cannot occur for nuclear physics reasons, as was tested twice in the AVR. The AVR attained its first criticality on August 28, 1968. It was operated for more than 20 years, until December 31, 1988, at approximately 67% time utilization, ...

2009-12-15

386

The technology of high-temperature reactors. Design, construction, commissioning, operation of the Juelich AVR and the THTR-300  

International Nuclear Information System (INIS)

The AVR experimental nuclear reactor was Professor Dr. Rudolf Schulten's brainchild. Visionary ideas led to the success of this technology: - Helium coolant because of the particularly high heat transfer coefficients; - an integrated primary system reactor concept as the basis of all safety considerations in the interest of maximum safety; - uranium-235 and thorium-232 fuel allowing new fuel to be bred; - high temperatures for electricity generation at maximum thermodynamic efficiencies, i.e. optimum fuel utilization; - the possibility to run chemical processes economically at high temperatures by means of nuclear fuels; - the inherent safety of the reactor, for a major accident accompanied by a complete loss of cooling cannot occur for nuclear physics reasons, as was tested twice in the AVR. The AVR attained its first criticality on August 28, 1968. It was operated for more than 20 years, until December 31, 1988, at approximately 67% time utilization, which is an ...

2009-12-01

387

The role of oxygen diffusion in the release of technetium from reducing cementitious waste forms  

Energy Technology Data Exchange (ETDEWEB)

Cementitious materials provide an ideal geochemical environment (e.g., high pH pore fluids and large surface areas for sorption) for immobilizing nuclear waste. The inclusion of reducing agents, such as blast furnace slag (BFS) can immobilize radionuclides by forming of solid sulfide phases. Thermodynamic calculations using the MINTEQ geochemical computer code indicate the elemental sulfur present in BPS reacts with the highly mobile pertechnetate anion (TcO{sub 4}{sup -}) anion to form an insoluble technetium sulfide phase (Tc{sub 2}S{sub 7(s)}). Initially, the waste form very effectively immobilizes technetium. However, as oxygen diffuses into the waste form, an outer zone of oxidized concrete and a shrinking core of reduced intact concrete develops. Oxidation of sulfur in the outer zone results in increased technetium concentrations in the pore fluid because Tc{sub 2}S{sub 7(a)} oxidizes to the mobile TcO{sub 4}{sup -} anion. The TcO{sub 4}{sup -} anion can then ...

1993-12-31

388

T-HEMP3D, 3-D Time-Dependent Elastic Plastic Flow  

International Nuclear Information System (INIS)

1 - Description of program or function: T-HEMP3D (Transportable HEMP3D) is a derivative of the STEALTH three-dimensional thermodynamics code developed by Science Applications, Inc. Changes were made primarily in three areas: material specification, coordinate generation, and the addition of sliding surface boundary conditions. STEALTH itself is based entirely on the HEMP3D code written at LLNL. HEMP3D solves problems in solid mechanics involving dynamic plasticity and time-dependent material behavior and problems in gas dynamics. 2 - Method of solution: The equations of motion, conservation equations, and constitutive relations for stresses, strains, hydrostatic pressure, the von Mises yield condition, and artificial viscosity are solved by finite difference methods following the format of the HEMP code (NESC Abstract 775). The physical object is divided into zones defined by 8 grid points. The grid (i,j,k) moves with the material, and the mass within a zone ...

389

Stress and stability of sputter deposited A-15 and bcc crystal structure tungsten thin films  

International Nuclear Information System (INIS)

Magnetron sputter deposition was used to fabricate body centered cubic (bcc) and A-15 crystal structure W thin films. Previous work demonstrated that the as-deposited crystal structure of the films was dependent on the deposition parameters and that the formation of a metastable A-15 structure was favored over the thermodynamically stable bcc phase when the films contained a few atomic percent oxygen. However, the A-15 phase was shown to irreversibly transform into the bcc phase between 500 C and 650 C and that a significant decrease in the resistivity of the metallic films was measured after the transformation. The current investigation of 150 nm thick, sputter deposited A-15 and bcc tungsten thin films on silicon wafers consisted of a series of experiments in which the stress, resistivity and crystal structure of the films was measured as a function of temperatures cycles in a Flexus 2900 thin film stress measurement system. The as-deposited film stress was found ...

2900-01-01

390

Some properties of explosive mixtures containing peroxides  

International Nuclear Information System (INIS)

This study concerns mixtures of triacetone triperoxide (3,3,6,6,9,9-hexamethyl-1,2,4,5,7,8-hexoxonane, TATP) and ammonium nitrate (AN) with added water (W), as the case may be, and dry mixtures of TATP with urea nitrate (UN). Relative performances (RP) of the mixtures and their individual components, relative to TNT, were determined by means of ballistic mortar. The detonation energies, E_0, and detonation velocities, D, were calculated for the mixtures studied by means of the thermodynamic code CHEETAH. Relationships have been found and are discussed between the RP and the E_0 values related to unit volume of gaseous products of detonation of these mixtures. These relationships together with those between RP and oxygen balance values of the mixtures studied indicate different types of participation of AN and UN in the explosive decomposition of the respective mixtures. Dry TATP/UN mixtures exhibit lower RP than analogous mixtures TATP/AN containing up to 25% of ...

2008-06-15

391

Solar energy desalination for arid coastal regions: development of a humidification-dehumidification seawater greenhouse  

Energy Technology Data Exchange (ETDEWEB)

The long-term aim of our research is to develop humidification-dehumidification desalination technology for farms in arid coastal regions that are suffering from salt-infected soils and shortages of potable groundwater. The specific aim of our current study was to determine the influence of greenhouse-related parameters on a process, called Seawater Greenhouse, which combines fresh water production with growth of crops in a greenhouse system. A thermodynamic model was used based on heat and mass balances. The dimension of the greenhouse had the greatest overall effect on the water production and energy consumption. A wide shallow greenhouse, 200 m wide by 50 m deep gave 125 m{sup 3} d{sup -1} of fresh water. This was greater than a factor of two compared to the worst-case scenario with the same area (50 m wide by 200 m deep), which gave 58 m{sup 3} d{sup -1}. Low power consumption went hand-in-hand with high efficiency. The wide shallow greenhouse consumed 1.16 kW ...

2003-11-01

392

SiO{sub 2}-Ta{sub 2}O{sub 5} sputtering yields: simulated and experimental results  

Energy Technology Data Exchange (ETDEWEB)

To improve mirrors coating, we have modeled sputtering of binary oxide targets using TRIM code. First, we have proposed a method to calculate TRIM input parameters using on the one hand thermodynamic cycle and on the other hand Malherbe`s results. Secondly, an iterative processing has provided for oxide steady targets caused by ionic bombardment. Thirdly, we have exposed a model to get experimental sputtering yields. Fourthly, for (Ar - SiO{sub 2}) pair, we have determined that steady target is a silica one. A good agreement between simulated and experimental yields versus ion incident angle has been found. For (Ar - Ta{sub 2} O{sub 5}) pair, we have to introduce preferential sputtering concept to explain discrepancy between simulation and experiment. In this case, steady target is tantalum monoxide. For (Ar - Ta+O{sub 2}) pair, tantalum sputtered by argon ions in reactive oxygen atmosphere, we have to take into account new concept of oxidation stimulated by ion ...

1994-09-01

393

Second-law analyses applied to internal combustion engines operation  

Energy Technology Data Exchange (ETDEWEB)

This paper surveys the publications available in the literature concerning the application of the second-law of thermodynamics to internal combustion engines. The availability (exergy) balance equations of the engine cylinder and subsystems are reviewed in detail providing also relations concerning the definition of state properties, chemical availability, flow and fuel availability, and dead state. Special attention is given to identification and quantification of second-law efficiencies and the irreversibilities of various processes and subsystems. The latter being particularly important since they are not identified in traditional first-law analysis. In identifying these processes and subsystems, the main differences between second- and first-law analyses are also highlighted. A detailed reference is made to the findings of various researchers in the field over the last 40 years concerning all types of internal combustion engines, i.e. spark ignition, ...

2006-07-01

394

STOMP, Subsurface Transport Over Multiple Phases, theory guide  

Energy Technology Data Exchange (ETDEWEB)

This guide describes the simulator`s governing equations, constitutive functions and numerical solution algorithms of the STOMP (Subsurface Transport Over Multiple Phases) simulator, a scientific tool for analyzing multiple phase subsurface flow and transport. The STOMP simulator`s fundamental purpose is to produce numerical predictions of thermal and hydrologic flow and transport phenomena in variably saturated subsurface environments, which are contaminated with volatile or nonvolatile organic compounds. Auxiliary applications include numerical predictions of solute transport processes including radioactive chain decay processes. In writing these guides for the STOMP simulator, the authors have assumed that the reader comprehends concepts and theories associated with multiple-phase hydrology, heat transfer, thermodynamics, radioactive chain decay, and nonhysteretic relative permeability, saturation-capillary pressure constitutive functions. The authors further ...

1996-10-01

395

Removal of basic dye by modified Unye bentonite, Turkey  

Energy Technology Data Exchange (ETDEWEB)

The adsorption behavior of crystal violet (CV{sup +}) from aqueous solution onto raw (RB) and manganese oxide-modified (MMB) bentonite samples was investigated as a function of parameters such as initial CV{sup +} concentration, contact time and temperature. The Langmuir, Freundlich and Dubinin-Radushkevich (D-R) adsorption models were applied to describe the equilibrium isotherms. The Langmuir monolayer adsorption capacities of RB and MMB were estimated as 0.32 and 1.12 mmol/g, respectively. The mean adsorption energy derived from D-R isotherm for MMB showed that the type of adsorption of dye molecules on this material may be defined as chemical adsorption. The adsorption rate was fast and more than half of the adsorbed-CV{sup +} was removed in the first 55 min for RB and 5 min for MMB at the room temperature. The pseudo-first-order, pseudo-second-order kinetic and the intraparticle diffusion models were used to describe the kinetic data and rate constants were evaluated. The ...

2009-03-15

396

Recovery of heavy metals from intractable wastes: A thermal approach  

Energy Technology Data Exchange (ETDEWEB)

The generation of industrial solid wastes containing leachable species of environmental concern is a problem for developing and developed nations alike. These materials arise from direct processing of mineral ores, from production of metals and minerals, from manufacturing operations, and from air and water pollution treatment processes. The general characteristics that make these wastes intractable is that their content of hazardous species is not easily liberated from the waste yet is not bound so tightly that they are safe for landfill disposal or industrial use. The approach taken in this work is a thermal treatment that separates the inorganic contaminants from the wastes. The objective is to provide recovery and reuse of both the residual solids and liberated contaminants. The results from operating this technique using two very different types of waste are described. The reasons that the process will work for a wide variety of wastes are explored. By using the knowledge of the ...

1996-12-31

397

Process feasibility study in support of silicon material, Task I. Quarterly technical progress report (XVIII), December 1, 1979-February 29, 1980  

Energy Technology Data Exchange (ETDEWEB)

Analyses of process system properties were continued for important chemical materials involved in the several processes under consideration for semiconductor and solar cell grade silicon production. Major activities were devoted to physical, thermodynamic and transport property data for silicon. Property data are reported for vapor pressure heat of vaporization, heat of sublimation, liquid heat capacity and solid heat capacity as a function of temperature to permit rapid usage in engineering. Chemical engineering analysis of the HSC process (Hemlock Semiconductor Corporation) for production of silicon was initiated. The process is based on hydrogen reduction of dichlorosilane (DCS) to produce the polysilicon. The chemical vapor deposition reaction for DCS is faster in rate than the conventional process route which utilizes trichlorosilane (TCS) as the silicon raw material. Status and progress are reported for primary activities of base case conditions (30%), ...

1980-03-01

398

Preliminary delineation of natural geochemical reactions, Snake River Plain aquifer system, Idaho National Engineering Laboratory and vicinity, Idaho  

Energy Technology Data Exchange (ETDEWEB)

The U.S. Geological Survey, in cooperation with the U.S. Department of Energy, is conducting a study to determine the natural geochemistry of the Snake River Plain aquifer system at the Idaho National Engineering Laboratory (INEL), Idaho. As part of this study, a group of geochemical reactions that partially control the natural chemistry of ground water at the INEL were identified. Mineralogy of the aquifer matrix was determined using X-ray diffraction and thin-section analysis and theoretical stabilities of the minerals were used to identify potential solid-phase reactants and products of the reactions. The reactants and products that have an important contribution to the natural geochemistry include labradorite, olivine, pyroxene, smectite, calcite, ferric oxyhydroxide, and several silica phases. To further identify the reactions, analyses of 22 representative water samples from sites tapping the Snake River Plain aquifer system were used to determine the ...

1997-05-01

399

Phenomenological modelling of heat transfer at the gas side wall of diesel engines; Phaenomenologische Modellbildung des gasseitigen Wandwaermeueberganges in Dieselmotoren  

Energy Technology Data Exchange (ETDEWEB)

A phenomenological model of the heat transfer in direct injection diesel engines was developed. Utilizing the thermodynamic results of a combustion model as an input, the model is able to predict the temporal variation of the heat losses from the cylinder gas to the cylinder walls. Additionally, the division into isothermal combustion chamber subsurfaces allows the consideration of the spatial variation of the wall heat fluxes. The physical mechanisms such as flow dependent convection, heat radiation due to hot soot particles and isolation effects of deposited soot layers are described in detail. Thus the effects of these mechanisms on the overall heat transfer can be studied. The heat transfer model was verified successfully by the comparison to measured wall heat fluxes in a single-cylinder direct injection diesel engine. It is shown that the effects of engine speed and load, turbocharging and soot deposition can be predicted with good accuracy. [German] Es wurde ...

2000-07-01

400

Passivation behavior of SUS 304 stainless steel in neutral solutions at elevated temperature  

Energy Technology Data Exchange (ETDEWEB)

Cyclic voltammograms of SUS 304 stainless steel in various neutral solutions such as Na/sub 2/SO/sub 4/ at high temperature were measured, as a successive study to previous report in which effects of temperature and pH on polarization behavior of stainless steel were studied. In this measurement Ag/AgCl reference electrode and platinum counter electrode were used in a static autoclave lined with inconel. Passive films formed in various conditions were analysed by electron diffraction and Auger spectroscopy. Results obtained were compared with anodic behavior of iron, chromium and nickel and with thermodynamical stabilities of their compounds. The main results are summarized as follows. (1) Stainless steel shows such electrochemical behavior as active dissolution, passivation and transpassivation in a deaerated neutral solution at 250/sup 0/C after fully reductive treatment of the specimen. In air-saturated solution, the peak of active dissolution is not observed. ...

1981-03-01

401

PFB coal fired combined cycle development program. Commercial plant requirements definition update (Task 1. 1)  

Energy Technology Data Exchange (ETDEWEB)

The Coal Fired Combined Cycle (CFCC) power system thermodynamic cycle is illustrated schematically. Pressurized air supplied at the discharge of gas turbine compressors is ducted to the pressure vessel of pressurized, fluidized-bed, combustor-steam generator modules. The air is introduced in parallel to the beds, entering through distribution grids beneath each bed. Steam generation tubes are buried within the beds and are also arranged as membrane tube walls enclosing the four sides. Crushed coal (1/4 inch x 0) is pneumatically fed at locations just above the air inlet grids at the bottom of each bed. Dolomite is similarly fed to the individual beds. The coal is burned at a temperature below the ash fusion point. Sulfur is removed in the fluid beds through reaction of the SO/sub 2/ with CaCO/sub 3/ and O/sub 2/ to form solid CaSO/sub 4/ and CO/sub 2/ gas. The combustion gases leave the beds at a temperature in the range of 1400/sup 0/F to 1750/sup 0/F, depending ...

1980-05-01

402

OPTIMIZATION OF THE CATHODE LONG-TERM STABILITY IN MOLTEN CARBONATE FUEL CELLS: EXPERIMENTAL STUDY AND MATHEMATICAL MODELING  

Energy Technology Data Exchange (ETDEWEB)

The dissolution of NiO cathodes during cell operation is a limiting factor to the successful commercialization of molten carbonate fuel cells (MCFCs). Lithium cobalt oxide coating onto the porous nickel electrode has been adopted to modify the conventional MCFC cathode which is believed to increase the stability of the cathodes in the carbonate melt. The material used for surface modification should possess thermodynamic stability in the molten carbonate and also should be electro catalytically active for MCFC reactions. Two approaches have been adopted to get a stable cathode material. First approach is the use of LiNi{sub 0.8}Co{sub 0.2}O{sub 2}, a commercially available lithium battery cathode material and the second is the use of tape cast electrodes prepared from cobalt coated nickel powders. The morphology and the structure of LiNi{sub 0.8}Co{sub 0.2}O{sub 2} and tape cast Co coated nickel powder electrodes were studied using scanning electron microscopy and ...

2002-04-01

403

Nucleation, growth and dissolution of extended defects in implanted Si: impact on dopant diffusion  

Energy Technology Data Exchange (ETDEWEB)

Transient Enhanced Diffusion (TED) of boron in silicon is driven by the large supersaturations of self-interstitial silicon atoms left after implantation which also often lead to the nucleation and subsequent growth, upon annealing, of extended defects. In this paper we review selected experimental results and concepts concerning boron diffusion and/or defect behavior which have recently emerged with the ion implantation community and briefly indicate how they are, or will be, currently used to improve 'predictive simulations' softwares aimed at predicting TED. In a first part, we focus our attention on TED and on the formation of defects in the case of 'direct' implantation of boron in silicon. In a second part, we review our current knowledge of the defects and of the diffusion behavior of boron when annealing preamorphised Si. In a last part, we try to compare these two cases and to find out what are the reasons for some similarities and many ...

1999-01-01

404

Nucleation, growth and dissolution of extended defects in implanted Si: impact on dopant diffusion  

International Nuclear Information System (INIS)

Transient Enhanced Diffusion (TED) of boron in silicon is driven by the large supersaturations of self-interstitial silicon atoms left after implantation which also often lead to the nucleation and subsequent growth, upon annealing, of extended defects. In this paper we review selected experimental results and concepts concerning boron diffusion and/or defect behavior which have recently emerged with the ion implantation community and briefly indicate how they are, or will be, currently used to improve 'predictive simulations' softwares aimed at predicting TED. In a first part, we focus our attention on TED and on the formation of defects in the case of 'direct' implantation of boron in silicon. In a second part, we review our current knowledge of the defects and of the diffusion behavior of boron when annealing preamorphised Si. In a last part, we try to compare these two cases and to find out what are the reasons for some similarities and many differences in defect types and thermal ...

1999-01-01

405

Modelling and simulation of rate-based mechanistic model for CO{sub 2} capture  

Energy Technology Data Exchange (ETDEWEB)

The electric power industry can use the carbon dioxide absorption process to capture carbon from high-volume flue gas. However, the current cost of the process is too high due to the approximation method used in process design. The absorption column is typically designed with parameters that are assumed to be constant over the whole length of the column, resulting in an oversized unit. This approximation method is no longer valid given new environmental and economic concerns. In order to develop an accurate column design for high-efficiency carbon dioxide (CO{sub 2}) capture, it is necessary to understand the phenomena taking place in the system. A mechanistic model is presented for a robust absorber design that takes into account mass-transfer and hydrodynamic behaviour within the CO{sub 2} absorption columns. The capture performance of a packed column under a wide range of design and operating conditions was determined using a model based on the kinetics and ...

2003-07-01

406

Low temperature superplasticity of a metastable #beta#-titanium alloy  

International Nuclear Information System (INIS)

Superplasticity in Ti alloys has been widely investigated in the past and superplastic forming of aerospace components has thus been developed over the last two decades. The Ti alloy most studied in this framework is undoubtedly the Ti-6Al-4V (wt %) alloy, for which maximum elongations are obtained in the temperature range [880-900C]. The development of the superplastic properties has been demonstrated to be in close relation with quite similar volume fractions of the #alpha# and #beta# phases, the #beta# transus temperature for this alloy ranging from 980-1000 C. Attempts have been carried out to reduce the temperature of superplastic forming of Ti-6Al-4V by the addition of elements like Fe, Co, or Ni. Such an introduction of alloying elements indeed results in a decrease of the optimum forming temperature to values as low as 820 C. This decrease is mainly attributed to a change in the phase volume fractions according to thermodynamic equilibrium, since these ...

407

Load-carrying capabilities of refractory alloys for space reactor power applications  

International Nuclear Information System (INIS)

To achieve sufficient thermodynamic efficiency, space nuclear power systems must operate above 1000"0C. A quantitative evaluation of the existing mechanical properties data for the refractory alloys relevant to space nuclear power systems design lifetimes up to seven years at temperatures up to 1400"0C is being conducted. The most important properties for space nuclear power systems are long-term high-temperature (>1000"0C) creep strength and ductility, low-temperature (<400"0C) fracture toughness [including ductile-to-brittle transition temperature, (DBTT)], and ductility at high strain rates; of special concern are the above properties for weldments of refractory alloys, composition, applied stress, test temperature, test environment (e.g., vacuum, lithium), and thermomechanical treatment (TMT) history. Currently being evaluated are, in order of ascending mp, selected alloys of niobium (e.g., Nb-1% Zr, Nb-1% Zr-0.1% C), molybdenum (e.g., Mo-13% Re), ...

1985-01-14

408

Load-carrying capabilities of refractory alloys for space reactor power applications  

Energy Technology Data Exchange (ETDEWEB)

To achieve sufficient thermodynamic efficiency, space nuclear power systems must operate above 1000/sup 0/C. A quantitative evaluation of the existing mechanical properties data for the refractory alloys relevant to space nuclear power systems design lifetimes up to seven years at temperatures up to 1400/sup 0/C is being conducted. The most important properties for space nuclear power systems are long-term high-temperature (>1000/sup 0/C) creep strength and ductility, low-temperature (<400/sup 0/C) fracture toughness (including ductile-to-brittle transition temperature, (DBTT)), and ductility at high strain rates; of special concern are the above properties for weldments of refractory alloys, composition, applied stress, test temperature, test environment (e.g., vacuum, lithium), and thermomechanical treatment (TMT) history. Currently being evaluated are, in order of ascending mp, selected alloys of niobium (e.g., Nb-1% Zr, Nb-1% Zr-0.1% C), molybdenum (e.g., ...

1985-01-01

409

Literature information applicable to the reaction of uranium oxides with chlorine to prepare uranium tetrachloride  

Energy Technology Data Exchange (ETDEWEB)

The reaction of uranium oxides and chlorine to prepare anhydrous uranium tetrachloride (UCl{sub 4}) are important to more economical preparation of uranium metal. The most practical reactions require carbon or carbon monoxide (CO) to give CO or carbon dioxide (CO{sub 2}) as waste gases. The chemistry of U-O-Cl compounds is very complex with valances of 3, 4, 5, and 6 and with stable oxychlorides. Literature was reviewed to collect thermochemical data, phase equilibrium information, and results of experimental studies. Calculations using thermodynamic data can identify the probable reactions, but the results are uncertain. All the U-O-Cl compounds have large free energies of formation and the calculations give uncertain small differences of large numbers. The phase diagram for UCl{sub 4}-UO{sub 2} shows a reaction to form uranium oxychloride (UOCl{sub 2}) that has a good solubility in molten UCl{sub 4}. This appears more favorable to good rates of reaction than ...

1992-02-01

410

Liquid Water from First Principles: Validation of Different Sampling Approaches  

Energy Technology Data Exchange (ETDEWEB)

A series of first principles molecular dynamics and Monte Carlo simulations were carried out for liquid water to assess the validity and reproducibility of different sampling approaches. These simulations include Car-Parrinello molecular dynamics simulations using the program CPMD with different values of the fictitious electron mass in the microcanonical and canonical ensembles, Born-Oppenheimer molecular dynamics using the programs CPMD and CP2K in the microcanonical ensemble, and Metropolis Monte Carlo using CP2K in the canonical ensemble. With the exception of one simulation for 128 water molecules, all other simulations were carried out for systems consisting of 64 molecules. It is found that the structural and thermodynamic properties of these simulations are in excellent agreement with each other as long as adiabatic sampling is maintained in the Car-Parrinello molecular dynamics simulations either by choosing a sufficiently small fictitious mass in the ...

2004-05-20

411

Large-scale production of single-walled carbon nanotubes by induction thermal plasma  

International Nuclear Information System (INIS)

High quality single-walled carbon nanotubes (SWNT) have been synthesized at large scales by the method of direct evaporation of carbon black and metallic catalyst mixtures, using induction thermal plasma technology. The processing system consists mainly of an RF plasma torch, which generates a plasma jet of extremely high temperature (?15 000 K), with a high energy density and abundance of reactive species (ions and neutrals). With the present reactor system, it has been demonstrated that carbon soot product which contains approximately 40 wt% of SWNT can be continuously synthesized at the high production rate of ?100 g h-1. The processing parameters involved have been examined closely in order to evaluate their individual influences on SWNT synthesis. The results have shown that the quality and purity of the SWNT produced are critically affected by the grade of carbon black, the plasma gas composition and the metallic catalyst employed. Theoretical calculations, including ...

2007-04-21

412

Isolating the effect of radiation-induced segregation in irradiation-assisted stress corrosion cracking of austenitic stainless steels  

International Nuclear Information System (INIS)

Post-irradiation annealing was used to help identify the role of radiation-induced segregation (RIS) in irradiation-assisted stress corrosion cracking (IASCC) by preferentially removing dislocation loop damage from proton-irradiated austenitic stainless steels while leaving the RIS of major and minor alloying elements largely unchanged. The goal of this study is to better understand the underlying mechanisms of IASCC. Simulations of post-irradiation annealing of RIS and dislocation loop microstructure predicted that dislocation loops would be removed preferentially over RIS due to both thermodynamic and kinetic considerations. To verify the simulation predictions, a series of post-irradiation annealing experiments were performed. Both a high purity 304L (HP-304L) and a commercial purity 304 (CP-304) stainless steel alloy were irradiated with 3.2 MeV protons at 360 deg. C to doses of 1.0 and 2.5 dpa. Following irradiation, post-irradiation anneals were performed at ...

2002-04-01

413

Influence of the oxygen partial pressure on the reduction of CeO{sub 2} and CeO{sub 2}-ZrO{sub 2} ceramics  

Energy Technology Data Exchange (ETDEWEB)

Based on recent thermodynamic estimations on the CeO{sub 2}-CeO{sub 1.5}, CeO{sub 2}-2ZrO{sub 2} and CeO{sub 1.5}-ZrO{sub 2} systems, isothermal sections of the ternary CeO{sub 2}-ZrO{sub 2}-CeO{sub 1.5} system are calculated in the 1300-1700 C region. Additionally, the complex relation between the nonstoichiometry, y, in CeO{sub 2-y}, the composition of the CeO{sub 2}-ZrO{sub 2} solid solution and the oxygen partial pressure (PO{sub 2}) for different ZrO{sub 2} containing solid solutions Ce{sub z}Zr{sub 1-z}O{sub 2-x} (with z=0.2, 0.5, 0.8) are evaluated from 600 to 900 C. The relation between the degree of Ce{sup +4} to Ce{sup +3} reduction under different PO{sub 2} in the fluorite CeO{sub 2-y} and Ce{sub z}Zr{sub 1-z}O{sub 2-x} solid solutions at different temperatures can be used as a guide in the development of functional ceramics or assist in explaining their performance as function of the operating atmosphere and temperature. (authors)

2005-07-01

414

Hard-sphere radial distribution functions for face-centered cubic and hexagonal close-packed phases: Representation and use in a solid-state perturbation theory  

International Nuclear Information System (INIS)

The hard-sphere radial distribution functions, g_H_S(r/d,#eta#), for the face-centered cubic and hexagonal close-packed phases have been computed by the Monte Carlo method at nine values of the packing fraction, #eta#[=(#pi#/6)#rho#d"3], ranging from 4% below the melting density to 99% of the close-packed density. The Monte Carlo data are used to improve available analytic expressions for g_H_S(r/d,#eta#). By utilizing the new g_H_S(r/d,#eta#) in the Henderson and Grundke method [J. Chem. Phys. 63, 601 (1975)], we next derive an expression for y_H_S(r/d,#eta#) [=g_H_S(r/d)exp#left brace##beta#V_H_S(r)#right brace#] inside the hard-sphere diameter, d. These expressions are employed in a solid-state perturbation theory [J. Chem. Phys. 84, 4547 (1986)] to compute solid-state and melting properties of the Lennard-Jones and inverse-power potentials. Results are in close agreement with Monte Carlo and lattice-dynamics calculations performed in this and previous work. The new g_H_S(r/d,#eta#) ...

1991-11-01

415

Geothermal heat cycle research: Supercritical cycle with horizontal counterflow condenser  

Energy Technology Data Exchange (ETDEWEB)

The Heat Cycle Research Program, which is being conducted for the Department of Energy, has as its objective the development of the technology for effecting the improved utilization of moderate temperature geothermal resources. To meet this objective, the program has as one of its goals to improve the performance of geothermal binary cycles to levels approaching the practicable thermodynamic maximum. In pursuit of this goal, tests are being conducted at the Heat Cycle Research Facility located at the DOE Geothermal Test Facility, East Mesa, California. The current testing involves the investigation of binary power cycle performance utilizing mixtures of non-adjacent hydrocarbons as the working fluids, with supercritical vaporization and in-tube condensation of the working fluid. In addition to the present test program, preparations are being made to investigate the binary cycle performance improvements which can be achieved by allowing supersaturated vapor ...

1987-01-01

416

Fabrication of zircon for disposition of weapons plutonium  

International Nuclear Information System (INIS)

This is the final report of a one-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). In an effort to address the problems of long term storage and nuclear waste minimization, zircon has been proposed as a host medium for plutonium and other actinides recovered from dismantled nuclear weapons. The objective of this work is to investigate the feasibility of large scale fabrication of Pu-bearing zircon. Since PuO_2 is thermodynamically less stable than ZrO_2, it is expected that the process parameters determined for synthesizing ZrSiO_4 (zircon) would be applicable to those for PuSiO_4 (Pu-zircon). Furthermore, since the foremost concern in plutonium processing is the potential for contamination release, this work emphasizes the development of process parameters, using zircon first, to anticipate potential material problems in the containment system for reaction mixtures during processing. Stoichiometric ...

417

FORMATION PROCESS OF THE CIRCUMSTELLAR DISK: LONG-TERM SIMULATIONS IN THE MAIN ACCRETION PHASE OF STAR FORMATION  

International Nuclear Information System (INIS)

The formation and evolution of the circumstellar disk in unmagnetized molecular clouds is investigated using three-dimensional hydrodynamic simulations from the prestellar core until the end of the main accretion phase. In collapsing cloud cores, the first (adiabatic) core with a size of #approx#>3 AU forms prior to the formation of the protostar. At its formation, the first core has a thick disk-like structure and is mainly supported by the thermal pressure. After the protostar formation, it decreases the thickness gradually and becomes supported by the centrifugal force. We found that the first core is a precursor of the circumstellar disk with a size of >3 AU. This means that unmagnetized protoplanetary disk smaller than <3 AU does not exist. Reflecting the thermodynamics of the collapsing gas, at the protostar formation epoch, the first core (or the circumstellar disk) has a mass of #approx#0.005-0.1 M_s_u_n, while the protostar has a mass of ...

2010-12-01

418

Exergy-based method for analyzing the composition of the electricity cost generated in gas-fired combined cycle plants  

International Nuclear Information System (INIS)

The proposed method to analyze the composition of the cost of electricity is based on the energy conversion processes and the destruction of the exergy through the several thermodynamic processes that comprise a combined cycle power plant. The method uses thermoeconomics to evaluate and allocate the cost of exergy throughout the processes, considering costs related to inputs and investment in equipment. Although the concept may be applied to any combined cycle or cogeneration plant, this work develops only the mathematical modeling for three-pressure heat recovery steam generator (HRSG) configurations and total condensation of the produced steam. It is possible to study any nx1 plant configuration (n sets of gas turbine and HRSGs associated to one steam turbine generator and condenser) with the developed model, assuming that every train operates identically and in steady state. The presented model was conceived from a complex configuration of a real power plant, ...

2008-02-01

419

Enzymatic catalysis in cosolvent modified pressurized organic solvents.  

Science.gov (United States)

An important advantage of carrying out enzymatic catalysis in organic media is the increased solubility of hydrophobic substrates. This study compares a model lipase catalyzed esterification of cholesterol using vinyl acetate (VA) in two such nontraditional media: high-pressure hexane and supercritical (SCF) ethane. The effect of using one of the reactants (VA) as a cosolvent to increase the solubility of the other reactant (cholesterol) in SCF ethane has been investigated. The thermodynamic activity of water (a(w)) in the reaction media was controlled by the direct addition of the salt hydrate pair Na(4)P(2)O(7)/Na(4)P(2)O(7).10H(2)O. The a(w) of the salt hydrate system is shown to be a function of pressure and its variation over the pressure range 104-173 bar has been estimated. The initial reaction rate in pressurized hexane was found to vary linearly with the cholesterol concentration. The reaction rate was also a function of pressure-the effect being more ...

1999-11-01

420

Energy Conversion and Storage Program: 1992 Annual report  

Energy Technology Data Exchange (ETDEWEB)

This report is the 1992 annual progress report for the Energy Conversion and Storage Program, a part of the Energy and Environment Division of the Lawrence Berkeley Laboratory. Work described falls into three broad areas: electrochemistry; chemical applications; and materials applications. The Energy Conversion and Storage Program applies principles of chemistry and materials science to solve problems in several areas: (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes and chemical species, and (5) study and application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry ...

1993-06-01

421

Energy Conversion and Storage Program. 1990 annual report  

Energy Technology Data Exchange (ETDEWEB)

The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes, and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical ...

1992-03-01

422

Energy Conversion and Storage Program  

Energy Technology Data Exchange (ETDEWEB)

The Energy Conversion and Storage Program applies chemistry and materials science principles to solve problems in (1) production of new synthetic fuels, (2) development of high-performance rechargeable batteries and fuel cells, (3) development of advanced thermochemical processes for energy conversion, (4) characterization of complex chemical processes, and (5) application of novel materials for energy conversion and transmission. Projects focus on transport-process principles, chemical kinetics, thermodynamics, separation processes, organic and physical chemistry, novel materials, and advanced methods of analysis. Electrochemistry research aims to develop advanced power systems for electric vehicle and stationary energy storage applications. Topics include identification of new electrochemical couples for advanced rechargeable batteries, improvements in battery and fuel-cell materials, and the establishment of engineering principles applicable to electrochemical ...

1992-03-01

423

Energetics and kinetics of anaerobic aromatic and fatty acid degradation  

Science.gov (United States)

The kinetics of benzoate degradation by the anaerobic syntrophic bacterium, Syntrophus buswellii, was studied in coculture with Desulfovibrio strain G11. The threshold value for benzoate degradation was dependent on the acetate concentration with benzoate threshold values ranging from 2.4 [mu]M at 20 mM acetate to 30.0 [mu]M at 65 mM acetate. Increasing acetate concentrations also inhibited the rate of benzoate degradation with a apparent K[sub i] for acetate inhibition of 7.0 mM. Lower threshold values were obtained when nitrate rather than sulfate was the terminal electron acceptor. These data are consistent with a thermodynamic explanation for the threshold, and suggest that there is a minimum Gibbs free energy value required for the degradation of benzoate. An acetoacetyl-CoA thiolase has been isolated from Syntrophomonas wolfei; it is apparently a key enzyme controlling the synthesis of poly-B-hydroxyalkanoate from acetyl-CoA in this organism. Kinetic ...

1992-11-16

424

Electrocatalytic oxidation of deferiprone and its determination on a carbon nanotube-modified glassy carbon electrode  

Energy Technology Data Exchange (ETDEWEB)

The electrochemical behavior of the anti-thalassemia and anti-HIV replication drug, deferiprone, was investigated on a carbon nanotube-modified glassy carbon (GC-CNT) electrode in phosphate buffer solution, pH 7.40 (PBS). During oxidation of deferiprone, two irreversible anodic peaks, with E{sub 1}{sup 0}=452 and E{sub 2}{sup 0}=906mV, appeared, using GC-CNT. Cyclic voltammetric study indicated that the oxidation process is irreversible and diffusion controlled. The number of exchanged electrons in the electro-oxidation process was obtained, and the data indicated that deferiprone is oxidized via two two-electron steps. The results revealed that carbon nanotube (CNT) promotes the rate of oxidation by increasing the peak current, so that deferiprone is oxidized at lower potentials, which thermodynamically is more favorable. This result was confirmed by impedance measurements. The diffusion coefficient, electron-transfer coefficient and heterogeneous ...

2008-02-15

425

Effects of strong and electromagnetic correlations on neutrino interactions in dense matter  

Energy Technology Data Exchange (ETDEWEB)

An extensive study of the effects of correlations on both charged and neutral current weak interaction rates in dense matter is performed. Both strong and electromagnetic correlations are considered. The propagation of particle-hole interactions in the medium plays an important role in determining the neutrino mean free paths. The effects due to Pauli blocking and density, spin, and isospin correlations in the medium significantly reduce the neutrino cross sections. As a result of the lack of experimental information at high density, these correlations are necessarily model dependent. For example, spin correlations in nonrelativistic models are found to lead to larger suppressions of neutrino cross sections compared to those of relativistic models. This is due to the tendency of the nonrelativistic models to develop spin instabilities. Notwithstanding the above caveats, and the differences between nonrelativistic and relativistic approaches such as the spin- and isospin-dependent ...

1999-05-01

426

Effect of steric hindrance on carbon dioxide absorption into new amine solutions. Thermodynamic and spectroscopic verification through solubility and NMR analysis  

Energy Technology Data Exchange (ETDEWEB)

Aqueous solutions of 2-amino-2-hydroxymethyl-1,3-propanediol (AHPD), a sterically hindered amine, was examined as a potential CO{sub 2} absorbent and compared with the most commonly used absorbent, monoethanolamine (MEA) solution, through equilibrium solubility measurements and {sup 13}C NMR spectroscopic analyses. The solubilities of CO{sub 2} in aqueous 10 mass % AHPD solutions were higher than those in aqueous 10 mass% MEA solutions above 4 kPa at 298.15 K, but lower below 4 kPa. The solubility difference between these two solutions increased with the CO{sub 2} partial pressures above the crossover pressure. Equilibrated CO{sub 2}-MEA-H{sub 2}O and CO{sub 2}-AHPD-H{sub 2} solutions at various CO{sub 2} partial pressures ranging from 0.01 to 3000 kPa were analyzed by {sup 13}C NMR spectroscopy. AHPD contains more hydroxyl groups than nonhindered MEA, and hence the chemical shifts in its {sup 13}C NMR spectra were strongly influenced by the solution pH values. In contrast, MEA ...

2003-04-15

427

Effect of secondary fuels and combustor temperature on mercury speciation in pulverized fuel co-combustion: part 1  

Energy Technology Data Exchange (ETDEWEB)

The present work mainly involves bench scale studies to investigate partitioning of mercury in pulverized fuel co-combustion at 1000 and 1300{sup o}C. High volatile bituminous coal is used as a reference case and chicken manure, olive residue, and B quality (demolition) wood are used as secondary fuels with 10 and 20% thermal shares. The combustion experiments are carried out in an entrained flow reactor with a fuel input of 7-8 kWth. Elemental and total gaseous mercury concentrations in the flue gas of the reactor are measured on-line, and ash is analyzed for particulate mercury along with other elemental and surface properties. Animal waste like chicken manure behaves very differently from plant waste. The higher chlorine contents of chicken manure cause higher ionic mercury concentrations whereas even with high unburnt carbon, particulate mercury reduces with increase in the chicken manure share. This might be a problem due to coarse fuel particles, low surface area, and iron ...

2007-08-15

428

EXTREMELY LARGE AND HOT MULTILAYER KEPLERIAN DISK AROUND THE O-TYPE PROTOSTAR W51N: THE PRECURSORS OF THE HCH II REGIONS?  

International Nuclear Information System (INIS)

We present sensitive high angular resolution (0.''57-0.''78) SO, SO_2, CO, C_2H_5OH, HC_3N, and HCOCH_2OH line observations at millimeter and submillimeter wavelengths of the young O-type protostar W51 North made with the Submillimeter Array. We report the presence of a large (about 8000 AU) and hot molecular circumstellar disk around this object, which connects the inner dusty disk with the molecular ring or toroid reported recently and confirms the existence of a single bipolar outflow emanating from this object. The molecular emission from the large disk is observed in layers with the transitions characterized by high excitation temperatures in their lower energy states (up to 1512 K) being concentrated closer to the central massive protostar. The molecular emission from those transitions with low or moderate excitation temperatures is found in the outermost parts of the disk and exhibits an inner cavity with an angular size of around 0.''7. We modeled all lines with a local ...

2010-12-10

429

Durability of cement-based materials: modeling of the influence of physical and chemical equilibria on the microstructure and the residual mechanical properties; Durabilite des materiaux cimentaires: modelisation de l'influence des equilibres physico-chimiques sur la microstructure et les proprietes mecaniques residuelles  

Energy Technology Data Exchange (ETDEWEB)

A large part of mechanical and durability characteristics of cement-based materials comes from the performances of the hydrated cement, cohesive matrix surrounding the granular skeleton. Experimental studies, in situ or in laboratory, associated to models, have notably enhanced knowledge on the cement material and led to adapted formulations to specific applications or particularly aggressive environments. Nevertheless, these models, developed for precise cases, do not permit to specifically conclude for other experimental conclusions. To extend its applicability domain, we propose a new evolutive approach, based on reactive transport expressed at the microstructure scale of the cement. In a general point of view, the evolution of the solid compounds of the cement matrix, by dissolutions or precipitations, during chemical aggressions can be related to the pore solution evolution, and this one relied to the ionic exchanges with the external environment. By the utilization of a ...

2004-09-15

430

Diffusion and adsorption of methane confined in nanoporous carbon aerogel: a combined quasi-elastic and small-angle neutron scattering study  

Energy Technology Data Exchange (ETDEWEB)

The diffusion of methane confined in nano-porous carbon aerogel with the average pore size 48 {angstrom} and porosity 60% was investigated as a function of pressure at T = 298 K using quasi-elastic neutron scattering (QENS). The diffusivity of methane shows a clear effect of confinement: it is about two orders of magnitude lower than in bulk at the same thermodynamic conditions and is close to the diffusivity of liquid methane at 100 K (i.e. {approx} 90 K below the liquid-gas critical temperature T{sub C} {approx} 191 K). The diffusion coefficient (D) of methane initially increases with pressure by a factor of {approx}2.5 from 3.47 {+-} 0.41 x 10{sup -10} m{sup 2} s{sup -1} at 0.482 MPa to D = 8.55 {+-} 0.33 x 10{sup -10} m{sup 2} s{sup -1} at 2.75 MPa and starts to decrease at higher pressures. An explanation of the observed non-monotonic behavior of the diffusivity in the confined fluid is based on the results of small-angle neutron scattering experiments of the ...

2010-04-01

431

Decontamination of cesium, strontium, and cobalt from aqueous solutions by bentonite  

Energy Technology Data Exchange (ETDEWEB)

Sorption studies of cesium, strontium, and cobalt (Cs, Sr, and Co) on bentonite under various experimental conditions, such as contact time, pH, sorbent and sorbate concentration, and temperature, have been performed. The sorption data for all these metals have been interpreted in terms of Freundlich, Langmuir, and Dubinin-Radushkevich equations. Thermodynamics parameters, such as heat of sorption {Delta}H{degrees}, free energy change {Delta}G{degrees}, and entropy change {Delta}S{degrees}, for the sorption of these metals on bentonite have been calculated. The value of {Delta}H{degrees} shows that the sorption of Cs was exothermic, while the sorption of Sr and Co on bentonite were endothermic in nature. The value of {Delta}G{degrees} for their sorption was negative, showing the spontaneity of the process. The maximum loading capacity of Cs, Sr, and Co were 75.5, 22, and 27.5 meq, respectively, for 100 g of bentonite. The mean free energy E of Cs, Sr, and Co ...

1996-12-31

432

Crystalline electric field of the rare-earth nickelates RniO{sub 3} (R = Pr, ND, Sm, Eu, and Pr{sub 1-x}La{sub x},0 {le} X {le} 0.7) determined by inelastic neutron scattering.  

Energy Technology Data Exchange (ETDEWEB)

The rare-earth based nickelates RNiO{sub 3} (R = Pr, Nd, Sm, Eu, and Pr{sub 1-x}La{sub x}, 0{<=}x{<=}0.7) were studied by inelastic neutron scattering. Energy splittings due to the crystalline-electric-field (CEF) interaction at the R{sup 3+} site within the electronic ground-state J multiplet (for R = Pr, Nd, and Pr{sub 1-x}La{sub x}) as well as within the two lowest-lying J multiplets (for R = Sm and Eu) were directly observed, and the corresponding CEF energy-level schemes were reconstructed. The latter were rationalized in terms of CEF parameters, which vary smoothly over the rare-earth series and give magnetic properties associated with the R sublattice in agreement with results from neutron powder diffraction experiments. Across the metal-insulator transition, a continuous change in the electronic part of the CEF parameters is observed. However, an attempt to quantify a charge transfer from the observed variation of the CEF parameters in an effective point charge ...

1999-12-01

433

Crystalline electric field of the rare-earth nickelates RNiO{sub 3} (R=Pr, Nd, Sm, Eu, and Pr{sub 1-x}La{sub x}, 0{<=}x{<=}0.7) determined by inelastic neutron scattering  

Energy Technology Data Exchange (ETDEWEB)

The rare-earth based nickelates RNiO{sub 3} (R=Pr, Nd, Sm, Eu, and Pr{sub 1-x}La{sub x}, 0{<=}x{<=}0.7) were studied by inelastic neutron scattering. Energy splittings due to the crystalline-electric-field (CEF) interaction at the R{sup 3+} site within the electronic ground-state J multiplet (for R=Pr, Nd, and Pr{sub 1-x}La{sub x}) as well as within the two lowest-lying J multiplets (for R=Sm and Eu) were directly observed, and the corresponding CEF energy-level schemes were reconstructed. The latter were rationalized in terms of CEF parameters, which vary smoothly over the rare-earth series and give magnetic properties associated with the R sublattice in agreement with results from neutron powder diffraction experiments. Across the metal-insulator transition, a continuous change in the electronic part of the CEF parameters is observed. However, an attempt to quantify a charge transfer from the observed variation of the CEF parameters in an effective point charge model ...

1999-12-01

434

Crystalline electric field of the rare-earth nickelates RNiO_3 (R=Pr, Nd, Sm, Eu, and Pr_1_-_xLa_x, 0#<=#x#<=#0.7) determined by inelastic neutron scattering  

International Nuclear Information System (INIS)

The rare-earth based nickelates RNiO_3 (R=Pr, Nd, Sm, Eu, and Pr_1_-_xLa_x, 0#<=#x#<=#0.7) were studied by inelastic neutron scattering. Energy splittings due to the crystalline-electric-field (CEF) interaction at the R"3"+ site within the electronic ground-state J multiplet (for R=Pr, Nd, and Pr_1_-_xLa_x) as well as within the two lowest-lying J multiplets (for R=Sm and Eu) were directly observed, and the corresponding CEF energy-level schemes were reconstructed. The latter were rationalized in terms of CEF parameters, which vary smoothly over the rare-earth series and give magnetic properties associated with the R sublattice in agreement with results from neutron powder diffraction experiments. Across the metal-insulator transition, a continuous change in the electronic part of the CEF parameters is observed. However, an attempt to quantify a charge transfer from the observed variation of the CEF parameters in an effective point charge model failed, probably due to the strong ...

1999-12-01

435

Copper removal by algal biomass: Biosorbents characterization and equilibrium modelling  

Energy Technology Data Exchange (ETDEWEB)

The general principles of Cu(II) binding to algal waste from agar extraction, composite material and algae Gelidium, and different modelling approaches, are discussed. FTIR analyses provided a detailed description of the possible binding groups present in the biosorbents, as carboxylic groups (D-glucuronic and pyruvic acids), hydroxyl groups (cellulose, agar and floridean starch) and sulfonate groups (sulphated galactans). Potentiometric acid-base titrations showed a heterogeneous distribution of two major binding groups, carboxyl and hydroxyl, following the quasi-Gaussian affinity constant distribution suggested by Sips, which permitted to estimate the maximum amount of acid functional groups (0.36, 0.25 and 0.1 mmol g{sup -1}) and proton binding parameters (pK{sup '}{sub H}=5.0,5.3and4.4;m{sub H} = 0.43, 0.37, 0.33), respectively for algae Gelidium, algal waste and composite material. A non-ideal, semi-empirical, thermodynamically consistent (NICCA) ...

2009-04-30

436

Carbon dioxide absorption with aqueous potassium carbonate promoted by piperazine  

Energy Technology Data Exchange (ETDEWEB)

Many commercial processes for the removal of carbon dioxide from high-pressure gases use aqueous potassium carbonate systems promoted by secondary amines. This paper presents thermodynamic and kinetic data for aqueous potassium carbonate promoted by piperazine. Research has been performed at typical absorber conditions for the removal of CO{sub 2} from flue gas. Piperazine, used as an additive in 20-30 wt% potassium carbonate, was investigated in a wetted-wall column using a concentration of 0.6 m at 40-80{sup o}C. The addition of 0.6 m piperazine to a 20 wt% potassium carbonate system decreases the CO{sub 2} equilibrium partial pressure by approximately 85% at intermediate CO{sub 2} loading. The distribution of piperazine species in the solution was determined by proton NMR. Using the speciation data and relevant equilibrium constants, a model was developed to predict system speciation and equilibrium. The addition of 0.6 m piperazine to 20 wt% potassium carbonate ...

2004-09-01

437

Carbon dioxide absorption with aqueous potassium carbonate promoted by piperazine  

Energy Technology Data Exchange (ETDEWEB)

This paper presents thermodynamic and kinetic data collected for aqueous blends of piperazine (PZ), an ethylamine, and potassium carbonate (K{sub 2}CO{sub 3}). Mixtures of K{sup +} and PZ have been investigated in a wetted-wall column at 40 to 80{sup o}C, typical conditions for an industrial absorber. The addition of 0.6 m PZ to 20 wt% (3.6 m) K{sub 2}CO{sub 3} increases the rate of CO{sub 2} absorption by a factor of ten from the value in unpromoted solutions at 60{sup o}C. The addition of PZ increases the heat of absorption from 4 kcal/mol in 3.6 m K{sup +} to 10 kcal/mol when 0.6 m PZ is added. The capacity, ranging from 0.4 to 0.7 mol-CO{sub 2}/kg-H{sub 2}O, approaches that of monoethanolamine (MEA) solutions and seems to be a strong function of K{sup +} concentration. Speciation of the solution was obtained using proton nuclear magnetic reasonance (NMR), verifying and quantifying the presence of three PZ species. An equilibrium model and a rate model were ...

2003-07-01

438

Bonding of WC with an iron aluminide (FeAl) intermetallic  

Energy Technology Data Exchange (ETDEWEB)

FeAl, which has high oxidation and sulfidation resistance, was shown to be thermodynamically compatible with WC. Calculations indicate that soly. of WC in liq. Fe-40at.%Al at 1450 C is about 2 at.%. Since liquid FeAl wets WC very well, the WC/FeAl system lends itself to liquid-phase sintering, resulting in close to theoretical densities. Almost fully dense cermets with 20.6 wt% FeAl binder were produced. With one-step infiltration, 98% dense cermets with only 7 wt% FeAl binder were fabricated. RT bend strengths and fracture toughness for WC-20.6 wt% FeAl reached 1680 MPa and 22 MPa{center_dot}m{sup 1/2}. Ductile binder fracture was observed on the fracture surfaces. Pores containing oxide inclusions were found, suggesting that improvements in processing are likely to further improve the mechanical properties. Insufficient process control may explain why WC/FeAlNi cermets did not show improved mechanical properties, although Ni strengthens FeAl. For WC bonded with ...

1996-08-01

439

Biosorption of hexavalent chromium by raw and acid-treated green alga Oedogonium hatei from aqueous solutions  

Energy Technology Data Exchange (ETDEWEB)

The hexavalent chromium, Cr(VI), biosorption by raw and acid-treated Oedogonium hatei were studied from aqueous solutions. Batch experiments were conducted to determine the biosorption properties of the biomass. The optimum conditions of biosorption were found to be: a biomass dose of 0.8 g/L, contact time of 110 min, pH and temperature 2.0 and 318 K respectively. Both Langmuir and Freundlich isotherm equations could fit the equilibrium data. Under the optimal conditions, the biosorption capacities of the raw and acid-treated algae were 31 and 35.2 mg Cr(VI) per g of dry adsorbent, respectively. Thermodynamic parameters showed that the adsorption of Cr(VI) onto algal biomass was feasible, spontaneous and endothermic under studied conditions. The pseudo-first-order kinetic model adequately describe the kinetic data in comparison to second-order model and the process involving rate-controlling step is much complex involving both boundary layer and intra-particle ...

2009-04-15

440

Biosorption of Pb(II) and Cd(II) from aqueous solution using green alga (Ulva lactuca) biomass  

Energy Technology Data Exchange (ETDEWEB)

The biosorption characteristics of Pb(II) and Cd(II) ions from aqueous solution using the green alga (Ulva lactuca) biomass were investigated as a function of pH, biomass dosage, contact time, and temperature. Langmuir, Freundlich and Dubinin-Radushkevich (D-R) models were applied to describe the biosorption isotherm of the metal ions by U. lactuca biomass. Langmuir model fitted the equilibrium data better than the Freundlich isotherm. The monolayer biosorption capacity of U. lactuca biomass for Pb(II) and Cd(II) ions was found to be 34.7 mg/g and 29.2 mg/g, respectively. From the D-R isotherm model, the mean free energy was calculated as 10.4 kJ/mol for Pb(II) biosorption and 9.6 kJ/mol for Cd(II) biosorption, indicating that the biosorption of both metal ions was taken place by chemisorption. The calculated thermodynamic parameters ({delta}G{sup o}, {delta}H{sup o} and {delta}S{sup o}) showed that the biosorption of Pb(II) and Cd(II) ions onto U. lactuca biomass ...

2008-03-21

441

Biosorption of Acid Blue 290 (AB 290) and Acid Blue 324 (AB 324) dyes on Spirogyra rhizopus  

Energy Technology Data Exchange (ETDEWEB)

In this study, the biosorption of Acid Blue 290 and Acid Blue 324 on Spirogyra rhizopus, a green algae growing on fresh water, was studied with respect to initial pH, temperature, initial dye concentration and biosorbent concentration. The optimum initial pH and temperature values for AB 290 and AB 324 biosorption were found to be 2.0, 30 deg. C and 3.0, 25 deg. C, respectively. It was observed that the adsorbed AB 290 and AB 324 amounts increased with increasing the initial dye concentration up to 1500 and 750 mg/L, respectively. The Langmuir, Freundlich, Redlich-Peterson and Koble-Corrigan isotherm models were applied to the experimental equilibrium data and the isotherm constants were determined by using Polymath 4.1 software. The monolayer coverage capacities of S. rhizopus for AB 290 and AB 324 dyes were found as 1356.6 mg/g and 367.0 mg/g, respectively. The intraparticle diffusion model and the pseudo-second order kinetic model were applied to the experimental data in order to ...

2006-07-31

442

BS in Ceramic and Materials Engineering at Clemson  

Science.gov (United States)

Description of courses, curriculum and degree program. "Ceramic and materials engineers design, develop, and participate in the manufacture of both standard and new materials intended for use in a wide variety of industries with diverse applications. These range from the semi-conductor to the aerospace and finally to the traditional ceramics industry. The broad scope of industrial responsibilities handled by ceramic and materials engineers requires knowledge in mathematics, science, engineering, and the social sciences, skills in problem solving, engineering analysis, design, and written and oral communication. The baccalaureate program integrates laboratory with classroom experiences to prepare students for life-long learning. Courses covering thermodynamics, kinetics, mechanical behavior, processing and characterization of materials prepare students for careers in industry and/or for graduate school. Clemson University baccalaureate graduates in Ceramic and ...

2007-01-01

443

Assessment of generic solar thermal systems for large power applications: analysis of electric power generating costs for systems larger than 10 MWe  

Energy Technology Data Exchange (ETDEWEB)

Seven generic types of collectors, together with associated subsystems for electric power generation, were considered. The collectors can be classified into three categories: (1) two-axis tracking (with compound-curvature reflecting surfaces); (2) one-axis tracking (with single-curvature reflecting surfaces); and (3) nontracking (with low-concentration reflecting surfaces). All seven collectors were analyzed in conceptual system configurations with Rankine-cycle engines. In addition, two of the collectors were analyzed with Brayton-cycle engines, and one was analyzed with a Stirling-cycle engine. With these engine options, and the consideration of both thermal and electrical storage for the Brayton-cycle central receiver, 11 systems were formulated for analysis. Conceptual designs developed for the 11 systems were based on common assumptions of available technology in the 1990 to 2000 time frame. No attempt was made to perform a detailed optimization of each conceptual design. Rather, ...

1980-11-01

444

Application of Bayer red mud for iron recovery and building material production from alumosilicate residues  

Energy Technology Data Exchange (ETDEWEB)

Red mud is a solid waste produced in the process of alumina extraction from bauxite. In this paper, recovery iron from Bayer red mud was studied with direct reduction roasting process followed by magnetic separation, and then building materials were prepared from alumosilicate residues. After analysis of chemical composition and crystalline phase, the effects of different parameters on recovery efficiency of iron were carried out. The optimum reaction parameters were proposed as the following: ratio of carbon powder: red mud at 18:100, ratio of additives: red mud at 6:100, roasting at 1300 deg. C for 110 min. With these optimum parameters, total content of iron in concentrated materials was 88.77%, metallization ratio of 97.69% and recovery ratio of 81.40%. Then brick specimens were prepared with alumosilicate residues and hydrated lime. Mean compressive strength of specimens was 24.10 MPa. It was indicated that main mineral phase transformed from nepheline (NaAlSiO{sub 4}) in ...

2009-01-15

445

Application of 'waste' wood-shaving bottom ash for adsorption of azo reactive dye.  

Science.gov (United States)

The utilization of wood-shaving bottom ash (WBA) for the removal of Red Reactive 141 (RR141), an azo reactive dye, was investigated. WBA/H(2)O and WBA/H(2)SO(4) were made by treating WBA with water and 0.1M H(2)SO(4), respectively, to increase adsorption capacity. Adsorption of RR141 from reactive dye solution (RDS) and reactive dye wastewater (RDW) by WBA/H(2)O and WBA/H(2)SO(4) involved the BET surface area and pore size diameter. Properties of adsorbents, effect of contact time, initial pH of solution, dissolved metals and elution studies indicated that the decolorisation mechanism involved both chemical adsorption and precipitation with calcium ions. In addition, the WBA/H(2)SO(4) surface might contain sulphate-cation complexes that were specific to enhancing dye adsorption from RDW. The adsorption isotherm had a best fit by the Freundlich model. Freundlich parameters showed that WBA/H(2)O used more heterogeneous surface than WBA/H(2)SO(4) and activated carbon for RDW adsorption. A ...

2008-04-23

446

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

Energy Technology Data Exchange (ETDEWEB)

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 5MW 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. Preliminary estimates of relative heat ...

1981-01-01

447

An example of alkalization of SiO{sub 2} in a blast furnace coke  

Science.gov (United States)

Scanning electron microscopy and an electron-microprobe analysis of a sample of blast furnace (BF) coke have revealed alkalization (5.64 wt % Na{sub 2}O + K{sub 2}O) and Al saturation (17.28 wt % Al{sub 2}O{sub 3}) of SiO{sub 2} by BF gases. The K/Na{sub at} value of 1.15 in the new phase (alteration zone) reflects close atomic proportions of the elements and suggests that the abilities to incorporate K and Na during the process are almost equal. This Al saturation and alkalization of SiO{sub 2} indicates an active role for Al along with alkali metals in BF gases. The average width of the altered area in the SiO{sub 2} grain is about 10 m, which suggests that SiO{sub 2} particles of that size can be transformed fully to the new phase, provided that at least one of their faces is open to an external pore (surface of the coke) or internal pore with circulating BF gases. The grains that exceed 10 {mu}m can only be partly altered, which means that smaller SiO{sub 2} grains can incorporate ...

2007-09-15

448

Advanced distillation curve measurements for corrosive fluids: Application to two crude oils  

Energy Technology Data Exchange (ETDEWEB)

We have recently introduced several important improvements in the measurement of distillation curves for complex fluids. The modifications include a composition-explicit data channel for each distillate fraction (for both qualitative and quantitative analysis) and corrosivity assessment of each distillate fraction. The composition-explicit information is achieved with a new sampling approach that allows precise qualitative as well as quantitative analyses of each fraction, on the fly. We have applied the new method to a variety of fluids, including simple n-alkanes, rocket propellant, gasoline, jet fuels, and a hydrocarbon fluid made corrosive with dissolved hydrogen sulfide. In the current contribution, we present the application of the advanced distillation curve method to two samples of crude oil. A primary motivation behind the work is to precisely measure the distillation curves of these oils using our advanced distillation apparatus; these low uncertainty measurements of true ...

2008-10-15

449

Acid-base behavior of the ground and excited states of platinum(II) complexes of quinoxaline-2,3-dithiolate  

Energy Technology Data Exchange (ETDEWEB)

The acid-base behavior of the ground and excited states of Pt(qdt){sub 2}{sup 2{minus}} and Pt(phen)(qdt), where qdt=quinoxaline-2,3-dithiolate and phen = 1,10-phenanthroline, has been studied. The pH-dependent changes in the charge-transfer absorption and emission spectra for both complexes are attributed to protonation of the quinoxalinedithiolate ligand at the imine nitrogen. For Pt(qdt){sub 2}{sup 2{minus}}, single protonation leads to a large red shift (2582 cm{sup {minus}1}) of the low-energy charge-transfer-to-dithiolate absorption band and the emergence of a new red-shifted emission feature at 728 nm. In solutions of pH below 6, a second protonation takes place at the other qdt ligand, yielding Pt-(Hqdt){sub 2}. This neutral complex has been isolated and characterized by {sup 1}H NMR spectroscopy and elemental analyses. The ground-state basicity constants of the two protonation steps have been determined from spectrophotometric titrations to be pK{sub b1} = 6.9 and pK{sub ...

1995-06-21

450

A Liquid Parahydrogen Target for the Measurement of a Parity-violating Gamma Asymmetry in Polarized Neutron Capture on Protons  

Energy Technology Data Exchange (ETDEWEB)

A 16 l liquid parahydrogen target has been developed for a measurement of the parity-violating {gamma}-asymmetry in the capture of polarized cold neutrons on protons in the {rvec n} + p {yields} d + {gamma} reaction by the NPDGamma collaboration. The target system was carefully designed to meet the stringent requirements on systematic effects for the experiment and also to satisfy hydrogen safety requirements. The target was designed to preserve the neutron polarization during neutron scattering on liquid hydrogen (LH{sub 2}), optimize the statistical sensitivity to the {rvec n} + p {yields} d + {gamma} reaction, minimize backgrounds coming from neutron interaction with the beam windows of the target cryostat, minimize LH{sub 2} density fluctuations which can introduce extra noise in the gamma asymmetry signal, and control systematic effects. The target incorporates two mechanical refrigerators, two ortho-para convertors, an aluminum cryostat, an aluminum target vessel shielded with ...

2010-05-01

451

Thermodynamics of (1-chloronaphthalene + n-alkane): Excess enthalpies, excess volumes and excess heat capacities  

Energy Technology Data Exchange (ETDEWEB)

A flow microcalorimeter of the Picker design has been used to measure molar excess enthalpies at 298.15 K of the seven binary liquid mixtures 1-chloronaphthalene + n-hexane, + n-heptane, + n-octane, + n-decane, + n-dodecane, + n-pentadecane, and + n-hexadecane. Experiments were performed in the discontinuous mode, covering essentially the whole composition range. The overall imprecision of the measurements is characterized by standard deviations from Redlich-Kister type smoothing equations of generally less than +- 1 per cent of the maximum value Hsub(max)sup(E) of the excess enthalpy (with respect to mole fraction). The most striking feature is that for 6 <= n <= 16 (n denotes the number of C-atoms of the n-alkane) Hsub(max)sup(E) decreases with increasing n, the correlation being approximately linear. - For the mixtures 1-chloronaphthalene + n-hexane, + n-heptane, + n-octane, + n-dodecane, + n-pentadecane, and + n-hexadecane molar excess volumes Vsup(E) at 298.15 K were ...

1981-09-01

452

The properties and transport phenomena in oxide films on iron, nickel, chromium and their alloys in aqueous environments  

International Nuclear Information System (INIS)

The construction materials used in coolant systems in nuclear power plants become covered with oxide films as a result of exposure to the aqueous environment. The susceptibility of the materials to different forms of corrosion, as well as the extent of the incorporation of radioactive species on the surfaces of the primary circuit, are greatly influenced by the physical and chemical properties of these oxide films. The composition and characteristics of the oxide films in turn depend on the applied water chemistry. This work was undertaken in order to collect and evaluate the present views on the structure and behaviour of oxide films formed on iron- and nickel-based materials in aqueous environments. This survey should serve to recognise the areas in which more understanding and research effort is needed. The review begins with a discussion on the bulk oxides of iron, nickel and chromium, as well as their mixed oxides. In addition to bulk oxides, the structure and properties of oxide ...

2010-03-01

453

Sol-gel synthesis of high-quality SrRuO{sub 3} thin film electrodes suppressing the formation of detrimental RuO{sub 2} and the dielectric properties of integrated lead lanthanum zirconate titanate films.  

Science.gov (United States)

A facile solution chemistry is demonstrated to fabricate high-quality polycrystalline strontium ruthenium oxide (SrRuO{sub 3}) thin film electrodes on silicon substrates suppressing the formation of undesired ruthenium oxide (RuO{sub 2}) for the deposition of dielectric and ferroelectric materials like lead lanthanum zirconate titanate (PLZT). The robust, highly crystalline SrRuO{sub 3} film fabrication process does not favor the formation of RuO{sub 2} because of molecular level modification of the precursors possessing analogous melting points, yielding homogeneous films. This chemistry is further understood and complemented by kinetic and thermodynamic analysis of the DTA data under nonisothermal conditions, with which the activation energies to form RuO{sub 2} and SrRuO{sub 3} were calculated to be 156 {+-} 17 and 96 {+-} 10 kJ/mol, respectively. The room-temperature resistivity of the SrRuO{sub 3} film was measured to be 850 {+-} 50 {mu}{Omega} cm on silicon ...

2011-01-01

454

Low power cross-flow atmospheric pressure Ar + He plasma jet  

International Nuclear Information System (INIS)

A cross-flow atmospheric plasma jet with distilled water or analyte solution nebulization has been investigated. The plasma gas flows perpendicularly to the RF powered electrode (11.21 MHz) and a grounded electrode was added for plasma stabilization. The working parameters of the plasma generator can be controlled in order to maximize either the plasma power (75 W) or the voltage on the RF powered electrode (plasma power, 40 W). The plasma gas, pure argon (0.4 l min-1) or a mixture of argon (0.3-0.4 l min-1) and helium (0-0.2 l min-1), was also used for liquid nebulization. Optical emission of the plasma, collected in the normal viewing mode, was used for plasma diagnostics and for evaluating its excitation capabilities. The influence of helium content in the mixed-gas plasma on the plasma characteristics and on the emission axial profiles of the plasma gas constituents and of the analytes originate from the wet aerosol was studied. The addition of helium to the argon plasma, generally ...

2010-04-01

455

Kinetic and equilibrium characterization of uranium(VI) adsorption onto carboxylate-functionalized poly(hydroxyethylmethacrylate)-grafted lignocellulosics.  

Science.gov (United States)

This study investigated the feasibility of using a new adsorbent prepared from coconut coir pith, CP (a coir industry-based lignocellulosic residue), for the removal of uranium [U(VI)] from aqueous solutions. The adsorbent (PGCP-COOH) having a carboxylate functional group at the chain end was synthesized by grafting poly(hydroxyethylmethacrylate) onto CP using potassium peroxydisulphate-sodium thiosulphite as a redox initiator and in the presence of N,N'-methylenebisacrylamide as a crosslinking agent. IR spectroscopy results confirm the graft copolymer formation and carboxylate functionalization. XRD studies confirm the decrease of crystallinity in PGCP-COOH compared to CP, and it favors the protrusion of the functional group into the aqueous medium. The thermal stability of the samples was studied using thermogravimetry (TG). Surface charge density of the samples as a function of pH was determined using potentiometric titration. The ability of PGCP-COOH to remove U(VI) from aqueous ...

2008-01-28

456

Guide to Combined Heat and Power Systems for Boiler Owners and Operators  

Energy Technology Data Exchange (ETDEWEB)

Combined heat and power (CHP) or cogeneration is the sequential production of two forms of useful energy from a single fuel source. In most CHP applications, chemical energy in fuel is converted to both mechanical and thermal energy. The mechanical energy is generally used to generate electricity, while the thermal energy or heat is used to produce steam, hot water, or hot air. Depending on the application, CHP is referred to by various names including Building Cooling, Heating, and Power (BCHP); Cooling, Heating, and Power for Buildings (CHPB); Combined Cooling, Heating, and Power (CCHP); Integrated Energy Systems (IES), or Distributed Energy Resources (DER). The principal technical advantage of a CHP system is its ability to extract more useful energy from fuel compared to traditional energy systems such as conventional power plants that only generate electricity and industrial boiler systems that only produce steam or hot water for process applications. By using fuel energy for both ...

2004-08-19

457

Effect of silver addition on the formation and deposition of titania nanoparticles produced by liquid flame spray  

Energy Technology Data Exchange (ETDEWEB)

In this study, liquid flame spray (LFS) was used to produce titania, silver and silver-titania deposits of nanoparticles. Titanium(IV)ethoxide (TEOT) and silver nitrate in ethanol solutions were used as precursors and sprayed into turbulent hydrogen-oxygen flame. Production rates of 1.5-40 mg/min of titania were used with silver additions of 1, 2, 4, and 8 wt% compared to titania. Nanoparticle deposits were collected by thermophoretic sampling at six different axial distances from the flame torch head: 3, 5, 10, 12, 15, and 20 cm, of which the all but the last one occurred inside the flame. The deposit samples were analysed by TEM and SAED analysis. The powder samples of the particles were also collected by electric precipitator to XPS and specific surface area analysis. Particle size and effective density after the flame in the aerosol were analysed with SMPS and ELPI. The results from the previous studies i.e. controlling the particle size by setting the production rates of the ...

2007-08-15

458

Ecological problems of natural gas cleansing  

International Nuclear Information System (INIS)

Full text: Chemical-technology approaches allowing to intensification the prevention processes of gas hydrates formation at motion of gas-liquid stream of natural gas in system natural gas well - gas wire have been worked up. Technological regimes of treatment of gas stream have been determined. Linear correlation dependences inhibitor electrolytes contained hydrated ions with different ion radii and charges of subgroups of alkali elements with one - type electron configuration were obtained. Important physico-chemical parameters of electrolytes have been determined: activity; coefficients of activity, viscosity, diffusion; density; heat capacity; heat conductivity; surface tension and freezing-point. The features of continuous influence of inhibitory factors on process of gas flow at low temperatures and relatively high pressure differences ?P have been studied by using of technological installation modulating the system natural gas well - gas wire. The dependences of gas quantity ...

2007-06-01

459

Direct Comparison of the X-Ray Emission and Absorption of Cerium Oxide  

Energy Technology Data Exchange (ETDEWEB)

Bremstrahlung Isochromat Spectroscopy (BIS). The XES spectra were collected using a Specs electron gun for the excitation and the XES 350 grating monochromator and channel plate system from Scienta as the photon detection. Spectra were collected in 'normal mode,' where the electron gun kinetic energy (KE) and the energy position of the center of the channel plate were both fixed and the energy distribution in the photon (hv) spectrum was derived from the intensities distributed across the channel plate detector in the energy dispersal direction. The polycrystalline Ce sample was oxidized by exposure to air at ambient pressures. After introduction to the ultra-high vacuum system, the oxidized sample was bombarded with Ar, to clean the topmost surface region and stabilize the surface and near surface regions. Although CeO{sub 2} would be the thermodynamically preferred composition in an oxygen rich environment, the combination of a vacuum ...

2010-11-24

460

Development of SiC-AlN and SiC-SiAlON refractory composites  

International Nuclear Information System (INIS)

SiC-AlN and SiC-SiAlON refractory composites were obtained by means of nitridation of the mixtures of silicon carbide (SiC) powder with a broad granulometric distribution and powders of aluminium (Al) and aluminium-silicon (Al-Si) mixtures. The mixtures of the composition Al-25% Si, Al-50% Si and Al-75% Si were previously prepared by means of 'mechanical alloying' technique. Thermodynamic analysis was accomplished in order to evaluate the viability of SiC-SiAlON and SiC-AlN refractories production by the chosen processing method, and the results confirmed viability of such. Investigation of nitridation of Al and Al-Si powder compacts in order to obtain the AlN and #beta#-SiAlON matrix phases of the composite was accomplished by means of differential thermal analysis (DTA) and thermogravimetric analysis (TG). The results of the thermal analysis show that nitridation of the Al-25% Si, Al-50% Si and Al-75% Si resulting in p-SiAlON formation occur at temperatures of ...

461

Characterization of Single-Cylinder Small-Bore 4-Stroke CIDI Engine Combustion  

Energy Technology Data Exchange (ETDEWEB)

Direct injection diesel engines power most of the heavy-duty vehicles. Due to their superior fuel economy, high power density and low carbon dioxide emissions, turbocharged, small bore, high speed, direct injection diesel engines are being considered to power light duty vehicles. Such vehicles have to meet stringent emission standards. However, it is difficult to meet these standards by modifying the in-cylinder thermodynamic and combustion processes to reduce engine-out emissions. After-treatment devices will be needed to achieve even lower emission targets required in the production engines to account for the anticipated deterioration after long periods of operation in the field. To reduce the size, mass and cost of the after-treatment devices, there is a need to reduce engine-out emissions and optimize both the engine and the aftertreatment devices as one integrated system. For example, the trade-off between engine-out NOx and PM, suggests that one of these ...

2005-11-30

462

CO2 Capture by Absorption with Potassium Carbonate  

Energy Technology Data Exchange (ETDEWEB)

The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO3 promoted by piperazine (PZ). Pilot plant testing was performed in a 16.8-inch ID absorber and stripper with recirculation of air and CO{sub 2}. Three solvents (7 m MEA, 5 m K{sup +}/2.5 m PZ, and 6.4 m K{sup +}/1.6 m PZ) were tested in four campaigns with three different absorber packings. Pilot plant testing established that 5 m K{sup +}/2.5 m PZ requires two times less packing than 7 m MEA and three times less packing than 6.4 m K{sup +}/1.6 m PZ. A rigorous model of the thermodynamics and mass transfer was developed in the RateSep{trademark} block of AspenPlus{reg_sign}. The double matrix stripper reduces energy consumption by 5 to 15%. The best K{sup +}/PZ solvent, 4 m K{sup +}/4 m PZ, and the best process configuration, double matrix stripper with a double intercooled absorber, requires ...

2007-08-31

463

Basic research on cermet nuclear fuel  

Energy Technology Data Exchange (ETDEWEB)

Production of cermet nuclear fuel having fine uranium dioxide (UO{sub 2}) particles dispersed in matrix metal requires basic property data on the compatibility of matrix metal with fission product compounds. It is thermodynamically suggested that, as burnup increases, cesium in oxide fuel reacts with the fuel, other fission products or cladding pipe and produces cesium uranates, cesium molybdate, or cesium chromate in stainless steel cladding pipe. Attempt was made to measure the thermal expansion coefficient and thermal conductivity of cesium uranates (Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7}), cesium molybdate (Cs{sub 2}MoO{sub 4}) and cesium chromate (Cs{sub 2}CrO{sub 4}). Thermal expansion was measured by X-ray diffraction and determined by Cohen`s method. Thermal conductivity was obtained by measuring thermal diffusion by laser flash method. The thermal expansion of Cs{sub 2}UO{sub 4} and Cs{sub 2}U{sub 2}O{sub 7} is as low as 1.2% for the former and ...

1998-01-01

464

A study on the development of hypo-stoichiometric Zr-based hydrogen storage alloys with ultra-high capacity for anode material of Ni/MH secondary battery  

Energy Technology Data Exchange (ETDEWEB)

Some hypo-stoichiometric Zr-based Laves phase alloys were prepared and studied from a viewpoint of discharge capacity for electrochemical application. After careful alloy design of ZrMn{sub 2}-based hydrogen storage alloys through changing their stoichiometry while substituting or adding some alloying elements, the Zr(Mn{sub 0.2}V{sub 0.2}Ni{sub 0.6}){sub 1.8} alloy reveals relatively good properties with regard to hydrogen storage capacity, hydrogen equilibrium pressure and electrochemical discharge capacity. In order to improve the discharge capacity and rate-capability, Zr is partially replaced by Ti. The discharge capacity of Zr{sub 1-x}Ti{sub x}(Mn{sub 0.2}V{sub 0.2}Ni{sub 0.6}){sub 1.8} (x=0.0, 0.2, 0.3, 0.4, 0.6) alloy electrodes at 30 C reaches a maximum value and decreases as the Ti fraction increases. In view of electrochemical and thermodynamic characteristics, the occurrence of a maximal phenomenon of the electrochemical discharge capacity of the alloy ...

2000-08-10

465

The technical-economic potential of thermal energy saving in hospitals; El potencial tecnico-economico de ahorro de energia termica en hospitales  

Energy Technology Data Exchange (ETDEWEB)

The hospitals are important consumers of energy. At the General Hospital of Zone (HGZ) N of the IMSS in Aguscalientes (HGZ N . IMSS Ags.), the diesel oil is the main fuel that is used to satisfy the requirements of thermal energy of the hospital. According to the data collected by this author, this fuel represented in 2001, 75% of its total energy consumption and the 67.9% of its total costs in energy that ascended to $396.131 (December 2001 Dollars) Since this last amount represents an important percentage of the total expenses of the hospital (29.367 million dollars) it is important to determine the technical-economic possibilities of thermal energy saving of the hospital. The HGZ N 1 IMSS Ags. is located in a ampler conglomerate where the IMSS units are located, such as, the regional laundry, the sport unit, the center of social security, the familiar medicine unit N 1 and the hospital. Nevertheless departing from the installation of the electrical systems and the provision of steam ...

2001-07-01

466

Hydrogen production from fossil fuels with carbon dioxide capture, using chemical-looping technologies  

Energy Technology Data Exchange (ETDEWEB)

Carbon capture and storage have been receiving increasing interest lately, mainly as an option to reduce CO{sub 2} emissions from the power sector. The concept could be adapted for production of H{sub 2} as well, which would provide a carbon free energy carrier that could be used for example as transportation fuel. In this doctoral thesis, the option to use chemical-looping technologies to produce H{sub 2} from fossil fuels with CO{sub 2} capture is explored. In chemical-looping combustion, direct contact between fuel and combustion air is avoided. Instead, a solid oxygen carrier performs the task of bringing oxygen from the air to the fuel. Thus, the resulting CO{sub 2} and H{sub 2}O are not diluted with N{sub 2}, and pure CO{sub 2} can easily be recovered by cooling and condensation. The heat of reaction is the same as for ordinary combustion. Chemical-looping reforming uses the same basic principles as chemical-looping combustion, but operates at under stoichiometric conditions. ...

2008-04-15

467

Heteroepitaxial growth of In-face InN on GaN (0001) by plasma-assisted molecular-beam epitaxy  

International Nuclear Information System (INIS)

The thermodynamic aspects of indium-face InN growth by radio frequency plasma-assisted molecular-beam epitaxy (rf-MBE) and the nucleation of InN on gallium-face GaN (0001) surface were investigated. The rates of InN decomposition and indium desorption from the surface were measured in situ using reflected high-energy electron diffraction and the rf-MBE 'growth window' of In-face InN (0001) was identified. It is shown that sustainable growth can be achieved only when the arrival rate of active nitrogen species on the surface is higher than the arrival rate of indium atoms. The maximum substrate temperature permitting InN growth as a function of the active nitrogen flux was determined. The growth mode of InN on Ga-face GaN (0001) surface was investigated by reflected high-energy electron diffraction and atomic force microscopy. It was found to be of the Volmer-Weber-type for substrate temperatures less than 350 deg. C and of the Stranski-Krastanov for substrate ...

2005-06-01

468

Fundamental Chemistry And Thermodynamics Of Hydrothermal Oxidation Processes  

Science.gov (United States)

Hydrothermal oxidation (HTO) is a promising technology for the treatment of aqueous-fluid hazardous and mixed waste streams. Waste streams identified as likely candidates for treatment by this technology are primarily aqueous fluids containing hazardous organic compounds, and often containing inorganic compounds including radioisotopes (mixed wastes). These wastes are difficult and expensive to treat by conventional technologies (e.g. incineration) due to their high water content; in addition, incineration can lead to concerns related to stack releases. An especially attractive potential advantage of HTO over conventional treatment methods is the total containment of all reaction products within the overall system. The potential application of hydrothermal oxidation (HTO) technology for the treatment of DOE hazardous or mixed wastes has been uncertain due to concerns about safe and efficient operation of the technology. In principle, aqueous DOE wastes, including hazardous an d mixed ...

2001-12-31

469

Electro-volatilization of ruthenium in nitric medium: influences of ruthenium species nature and models solutions composition; Electro-volatilisation du ruthenium en milieu nitrique: influence de la nature des formes chimiques du ruthenium et de la composition des solutions modeles de dissolution  

Energy Technology Data Exchange (ETDEWEB)

Ruthenium is one of the fission products in the reprocessing of irradiated fuels that requires a specific processing management. Its elimination, upstream by the PUREX process, has been considered. A process, called electro-volatilization, which take advantage of the RuO{sub 4} volatility, has been optimised in the present study. It consists in a continuous electrolysis of ruthenium solutions in order to generate RuO{sub 4} species that is volatilized and easily trapped. This process goes to satisfying ruthenium elimination yields with RuNO(NO{sub 3}){sub 3}(H{sub 2}O){sub 2} synthetic solutions but not with fuel dissolution solutions. Consequently, this work consisted in the speciation studies of dissolved ruthenium species were carried out by simulating fuel solutions produced by hot acid attack of several ruthenium compounds (Ru(0), RuO{sub 2},xH{sub 2}O, polymetallic alloy). In parallel with dissolution kinetic studies, the determination of dissolved species was performed using ...

2004-12-15

470

Comparison of thermochemically calculated and measured dioxin contents in the off-gas of a sinter plant  

Energy Technology Data Exchange (ETDEWEB)

Polychlorinated dibenzo-p-dioxins and dibenzo-furans form a family of more than 200 compounds which are relatively stable in the biosphere and tend to accumulate in the human body. The tetra- to hexa-chlorinated dioxins and furans are considered highly toxic. To facilitate the assessment of the total toxicity of dioxin and furan mixtures, the estimated toxic effects of the individual compounds relative to the 2,3,7,8-tetrachloro-dibenzo-p-dioxin (TCDD) were introduced as Toxic Equivalent Factors which yield, when multiplied with the respective concentrations, the Toxic Equivalent (TE) of the mixture. Toxic dioxins and furans are unintentionally formed in a number of industrial combustion processes such as waste incineration and iron ore sintering, in the chemical industry and in household heating. To keep the emissions as low as possible, off-gas clearing systems for the collection of dioxins and furans are increasingly prescribed by the authorities. In addition, it appears desirable ...

1997-12-31

471

Spacer grid effects on post-CHF heat transfer in an annulus geometry  

Energy Technology Data Exchange (ETDEWEB)

The term 'Post-CHF' was generally used in the two-phase flow regime in tube flow occurring downstream of the CHF. It has various other names such as dispersed flow, liquid-deficient flow, mist flow and film boiling because the two-phase regime is characterized by a continuous vapor phase with discrete liquid drops and a non-wetted heated surface. The regime has been adopted in a lot of applications including nuclear power plants, fossil power plants, steam generators, refrigeration systems and spray cooling, In particular, this regime has a considerable importance in the areas of light water reactor(LWR) accident analysis (off-normal operating conditions) and design in heat exchangers operating in the once-through mode where subcooled liquid enters the exchanger and superheated vapor exits. Recently, innovative PWRs adopt very high power density increases and so require increased safety margins. For instance, advanced PWRs would be going to use a new-type of spacer ...

2005-07-01

472

Spacer grid effects on post-CHF heat transfer in an annulus geometry  

International Nuclear Information System (INIS)

The term 'Post-CHF' was generally used in the two-phase flow regime in tube flow occurring downstream of the CHF. It has various other names such as dispersed flow, liquid-deficient flow, mist flow and film boiling because the two-phase regime is characterized by a continuous vapor phase with discrete liquid drops and a non-wetted heated surface. The regime has been adopted in a lot of applications including nuclear power plants, fossil power plants, steam generators, refrigeration systems and spray cooling, In particular, this regime has a considerable importance in the areas of light water reactor(LWR) accident analysis (off-normal operating conditions) and design in heat exchangers operating in the once-through mode where subcooled liquid enters the exchanger and superheated vapor exits. Recently, innovative PWRs adopt very high power density increases and so require increased safety margins. For instance, advanced PWRs would be going to use a new-type of spacer grid and mixing ...

2005-05-26