Evaporation and condensation at a liquid methanol surface

Science.gov (United States)

Matsumoto, Mitsuhiro; Yasuoka, Kenji; Kataoka, Yosuke

1994-07-01

The dynamics of evaporation and condensation at a flat liquid surface of methanol were studied under the liquidvapor equilibrium condition at room temperature with molecular dynamics computer simulation techniques. Analysis of molecular trajectories shows that the condensation coefficient is 89%. It suggests that only a tenth of incident vapor molecules are reflected at the liquid surface, contrary to a prediction of a classical transition state theory. To investigate the potential barrier of the evaporation-condensation process, a particle insertion method was applied and the local chemical potential near the surface was evaluated. The calculated chemical potential is constant in the whole region including the surface layer and no potential barrier is observed in the vincinity of the surface, which casts strong doubt on the explanation of a transition state theory.

Amorphous physics and materials: Interstitialcy theory of condensed matter states and its application to non-crystalline metallic materials

International Nuclear Information System (INIS)

Khonik, V A

2017-01-01

A comprehensive review of a novel promising framework for the understanding of non-crystalline metallic materials, i.e., interstitialcy theory of condensed matter states (ITCM), is presented. The background of the ITCM and its basic results for equilibrium/supercooled liquids and glasses are given. It is emphasized that the ITCM provides a new consistent, clear, and testable approach, which uncovers the generic relationship between the properties of the maternal crystal, equilibrium/supercooled liquid and glass obtained by melt quenching. (topical review)

Evaporation and condensation at a liquid surface. II. Methanol

Science.gov (United States)

Matsumoto, Mitsuhiro; Yasuoka, Kenji; Kataoka, Yosuke

1994-11-01

The rates of evaporation and condensation of methanol under the vapor-liquid equilibrium condition at the temperature of 300 and 350 K are investigated with a molecular dynamics computer simulation. Compared with the argon system (reported in part I), the ratio of self-reflection is similar (˜10%), but the ratio of molecule exchange is several times larger than the argon, which suggests that the conventional assumption of condensation as a unimolecular process completely fails for associating fluids. The resulting total condensation coefficient is 20%-25%, and has a quantitative agreement with a recent experiment. The temperature dependence of the evaporation-condensation behavior is not significant.

Paths to equilibrium in non-conformal collisions

Directory of Open Access Journals (Sweden)

Attems Maximilian

2018-01-01

Full Text Available Ever since fast hydrodynamization has been observed in heavy ion collisions the understanding of the hot early out-of-equilibrium stage of such collisions has been a topic of intense research. We use the gauge/gravity duality to model the creation of a strongly coupled Quark-Gluon plasma in a non-conformal gauge theory. This numerical relativity study is the first non-conformal holographic simulation of a heavy ion collision and reveals the existence of new relaxation channels due to the presence of non-vanishing bulk viscosity. We study shock wave collisions at different energies in gauge theories with different degrees of non-conformality and compare three relaxation times which can occur in different orderings: the hydrodynamization time (when hydrodynamics becomes applicable, the EoSization time (when the average pressure approaches its equilibrium value and the condensate relaxation time (when the expectation value of a scalar operator approaches its equilibrium value. We find that these processes can occur in several different orderings. In particular, the condensate can remain far from equilibrium even long after the plasma has hydrodynamized and EoSized.

Condensation coefficient of water in a weak condensation state

International Nuclear Information System (INIS)

Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

2008-01-01

The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

Condensation coefficient of water in a weak condensation state

Science.gov (United States)

Kobayashi, Kazumichi; Watanabe, Shunsuke; Yamano, Daigo; Yano, Takeru; Fujikawa, Shigeo

2008-07-01

The condensation coefficient of water at a vapor-liquid interface is determined by combining shock tube experiments and numerical simulations of the Gaussian-BGK Boltzmann equation. The time evolution in thickness of a liquid film, which is formed on the shock tube endwall behind the shock wave reflected at the endwall, is measured with an optical interferometer consisting of the physical beam and the reference one. The reference beam is utilized to eliminate systematic noises from the physical beam. The growth rate of the film is evaluated from the measured time evolution and it is incorporated into the kinetic boundary condition for the Boltzmann equation. From a numerical simulation using the boundary condition, the condensation coefficient of water is uniquely deduced. The results show that, in a condition of weak condensation near a vapor-liquid equilibrium state, the condensation coefficient of water is almost equal to the evaporation coefficient estimated by molecular dynamics simulations near a vapor-liquid equilibrium state and it decreases as the system becomes a nonequilibrium state. The condensation coefficient of water is nearly identical with that of methanol [Mikami, S., Kobayashi, K., Ota, T., Fujikawa, S., Yano, T., Ichijo, M., 2006. Molecular gas dynamics approaches to interfacial phenomena accompanied with condensation. Exp. Therm. Fluid Sci. 30, 795-800].

Molecular dynamics study on condensation/evaporation coefficients of chain molecules at liquid-vapor interface.

Science.gov (United States)

Nagayama, Gyoko; Takematsu, Masaki; Mizuguchi, Hirotaka; Tsuruta, Takaharu

2015-07-07

The structure and thermodynamic properties of the liquid-vapor interface are of fundamental interest for numerous technological implications. For simple molecules, e.g., argon and water, the molecular condensation/evaporation behavior depends strongly on their translational motion and the system temperature. Existing molecular dynamics (MD) results are consistent with the theoretical predictions based on the assumption that the liquid and vapor states in the vicinity of the liquid-vapor interface are isotropic. Additionally, similar molecular condensation/evaporation characteristics have been found for long-chain molecules, e.g., dodecane. It is unclear, however, whether the isotropic assumption is valid and whether the molecular orientation or the chain length of the molecules affects the condensation/evaporation behavior at the liquid-vapor interface. In this study, MD simulations were performed to study the molecular condensation/evaporation behavior of the straight-chain alkanes, i.e., butane, octane, and dodecane, at the liquid-vapor interface, and the effects of the molecular orientation and chain length were investigated in equilibrium systems. The results showed that the condensation/evaporation behavior of chain molecules primarily depends on the molecular translational energy and the surface temperature and is independent of the molecular chain length. Furthermore, the orientation at the liquid-vapor interface was disordered when the surface temperature was sufficiently higher than the triple point and had no significant effect on the molecular condensation/evaporation behavior. The validity of the isotropic assumption was confirmed, and we conclude that the condensation/evaporation coefficients can be predicted by the liquid-to-vapor translational length ratio, even for chain molecules.

Bose-Einstein Condensation of Long-Lifetime Polaritons in Thermal Equilibrium.

Science.gov (United States)

Sun, Yongbao; Wen, Patrick; Yoon, Yoseob; Liu, Gangqiang; Steger, Mark; Pfeiffer, Loren N; West, Ken; Snoke, David W; Nelson, Keith A

2017-01-06

The experimental realization of Bose-Einstein condensation (BEC) with atoms and quasiparticles has triggered wide exploration of macroscopic quantum effects. Microcavity polaritons are of particular interest because quantum phenomena such as BEC and superfluidity can be observed at elevated temperatures. However, polariton lifetimes are typically too short to permit thermal equilibration. This has led to debate about whether polariton condensation is intrinsically a nonequilibrium effect. Here we report the first unambiguous observation of BEC of optically trapped polaritons in thermal equilibrium in a high-Q microcavity, evidenced by equilibrium Bose-Einstein distributions over broad ranges of polariton densities and bath temperatures. With thermal equilibrium established, we verify that polariton condensation is a phase transition with a well-defined density-temperature phase diagram. The measured phase boundary agrees well with the predictions of basic quantum gas theory.

Molecular dynamics study on evaporation and condensation characteristics of thin film liquid Argon on nanostructured surface in nano-scale confinement

Science.gov (United States)

Hasan, Mohammad Nasim; Rabbi, Kazi Fazle; Sabah, Arefiny; Ahmed, Jannat; Kuri, Subrata Kumar; Rakibuzzaman, S. M.

2017-06-01

Investigation of Molecular level phase change phenomena are becoming important in heat and mass transfer research at a very high rate, driven both by the need to understand certain fundamental phenomena as well as by a plethora of new and forthcoming applications in the areas of micro- and nanotechnologies. Molecular dynamics simulation has been carried out to go through the evaporation and condensation characteristics of thin liquid argon film in Nano-scale confinement. In the present study, a cuboid system is modeled for understanding the Nano-scale physics of simultaneous evaporation and condensation. The cuboid system consists of hot and cold parallel platinum plates at the bottom and top ends. The fluid comprised of liquid argon film at the bottom plate and vapor argon in between liquid argon and upper plate of the domain. Three different simulation domains have been created here: (i) Both platinum plates are considered flat, (ii) Upper plate consisting of transverse slots of low height and (iii) Upper plate consisting of transverse slots of bigger height. Considering hydrophilic nature of top and bottom plates, two different high temperatures of the hot wall was set and an observation was made on normal and explosive vaporizations and their impacts on thermal transport. For all the structures, equilibrium molecular dynamics (EMD) was performed to reach equilibrium state at 90 K. Then the lower wall is set to two different temperatures like 110 K and 250 K for all three models to perform non-equilibrium molecular dynamics (NEMD). For vaporization, higher temperature of the hot wall led to faster transport of the liquid argon as a cluster moving from hot wall to cold wall. But excessive temperature causes explosive boiling which seems not good for heat transportation because of less phase change. In case of condensation, an observation was made which indicates that the nanostructured transverse slots facilitate condensation. Two factors affect the rate of

Non-equilibrium phase transition

International Nuclear Information System (INIS)

Mottola, E.; Cooper, F.M.; Bishop, A.R.; Habib, S.; Kluger, Y.; Jensen, N.G.

1998-01-01

This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Non-equilibrium phase transitions play a central role in a very broad range of scientific areas, ranging from nuclear, particle, and astrophysics to condensed matter physics and the material and biological sciences. The aim of this project was to explore the path to a deeper and more fundamental understanding of the common physical principles underlying the complex real time dynamics of phase transitions. The main emphasis was on the development of general theoretical tools to deal with non-equilibrium processes, and of numerical methods robust enough to capture the time-evolving structures that occur in actual experimental situations. Specific applications to Laboratory multidivisional efforts in relativistic heavy-ion physics (transition to a new phase of nuclear matter consisting of a quark-gluon plasma) and layered high-temperature superconductors (critical currents and flux flow at the National High Magnetic Field Laboratory) were undertaken

A Comparison of the Computation Times of Thermal Equilibrium and Non-equilibrium Models of Droplet Field in a Two-Fluid Three-Field Model

Energy Technology Data Exchange (ETDEWEB)

Park, Ik Kyu; Cho, Heong Kyu; Kim, Jong Tae; Yoon, Han Young; Jeong, Jae Jun

2007-12-15

A computational model for transient, 3 dimensional 2 phase flows was developed by using 'unstructured-FVM-based, non-staggered, semi-implicit numerical scheme' considering the thermally non-equilibrium droplets. The assumption of the thermally equilibrium between liquid and droplets of previous studies was not used any more, and three energy conservation equations for vapor, liquid, liquid droplets were set up. Thus, 9 conservation equations for mass, momentum, and energy were established to simulate 2 phase flows. In this report, the governing equations and a semi-implicit numerical sheme for a transient 1 dimensional 2 phase flows was described considering the thermally non-equilibrium between liquid and liquid droplets. The comparison with the previous model considering the thermally non-equilibrium between liquid and liquid droplets was also reported.

Tar removal from biosyngas in the biomass gasification process. (Liquid + liquid) equilibrium {water + solvent (paraxylene and methyl hexadecanoate) + model molecules of tar (benzene, toluene, phenol)}

International Nuclear Information System (INIS)

Bassil, Georgio; Mokbel, Ilham; Abou Naccoul, Ramy; Stephan, Juliette; Jose, Jacques; Goutaudier, Christelle

2012-01-01

Highlights: ► (Liquid + liquid) equilibria at atmospheric pressure. ► Solubility of benzene (or toluene or phenol) in paraxylene at (303 to 343) K. ► Solubility of benzene (or toluene or phenol) in methyl palmitate or methyl hexadecanoate at (303 to 343) K. ► Correlation of LLE using NRTL model. - Abstract: Tar is generated in the process by the condensation of the gas resulting from biomass gasification. The objective of this work is a contribution to the database on thermodynamic quantity which will be useful at the operation of tar removal from aqueous medium. With this aim, (liquid + liquid) equilibrium of {water + solvent (paraxylene and methyl hexadecanoate) + model molecules of tar (benzene, toluene, phenol)} was studied at temperatures (303.2, 323.2, and 343.2) K. The data obtained were correlated with the non-random two-liquid (NRTL) model.

Condensation induced non-condensable accumulation in a non-vented horizontal pipe connected with an elbow and a vertical pipe

International Nuclear Information System (INIS)

Stevanovic, V.D.; Stosic, Z.V.; Stoll, U.

2005-01-01

In this paper the radiolytic gases (hydrogen and oxygen) accumulation is investigated numerically for the pipe geometry consisting of a horizontal pipe closed at one end, and connected via a downward directed elbow with a vertical pipe open at its bottom end. This configuration is a typical part of many pipeline systems or measuring lines. The steam inside the pipes is condensed due to heat losses to the surrounding atmosphere, the condensate is drained and the concentration of the remaining noncondensable radiolytic gases is increased. Three dimensional numerical simulations are performed with the thermal-hydraulic and physico-chemical code HELIO, especially developed for the simulation and analyses of radiolytic gases accumulation in pipelines. The HELIO code model is based on the mass, momentum and energy conservation equations for the gas mixture and wall condensate film flow, as well as on the transport equations for non-condensable diffusion and convection. At the liquid film surface, the phases are coupled through the no-slip velocity condition and the mass transfer due to steam condensation and non-condensable absorption and degassing. Obtained numerical results show the gas mixture and condensate liquid film flow fields. In case of here analyzed geometry, the gas mixture circulates in the elbow and the horizontal pipe due to buoyancy forces induced by concentration and related density differences. The circulation flow prevents the formation of the radiolytic gases concentration front. The non-condensable radiolytic gases are transported from the pipe through the open end by the mechanisms of diffusion and convection. The analyzed geometry is the same as in case of venting pipe mounted on the steam pipeline. The results are of practical importance since they show that radiolytic gases accumulation does not occur in the geometry of the venting pipes. (authors)

Effect on non-condensable gas on steam injector

International Nuclear Information System (INIS)

Kawamoto, Y.; Abe, Y.; Iwaki, C.; Narabayashi, T.; Mori, M.; Ohmori, S.

2004-01-01

Next-generation reactor systems have been under development aiming at simplified system and improvement of safety and credibility. A steam injector has a function of a passive pump without large motor or turbo-machinery, and has been investigated as one of the most important component of the next-generation reactor. Its performance as a pump depends on direct contact condensation phenomena between a supersonic steam and a sub-cooled water jet. Although non-condensable gases are well known for reducing heat transfer, the effect of the non-condensable gas on the condensation of supersonic steam on high-speed water jet has not been cleared. The present paper presents an experimental study of condensation of supersonic steam around turbulent water jet with model steam injector made by transparent plastic. The experimental apparatus is described. The visual observation was carried out by using high-speed camera. The non-condensable gas effect on the pump performance and flow characteristics are clarified by the image processing technique for the jet shape and gas-liquid interface behavior. (authors)

Non-equilibrium effects on the chemistry of nebular condensates - Implications for the planets and asteroids

Science.gov (United States)

Blander, M.

1979-01-01

Kinetic effects, for example nucleation constraints and slow reactions, should have been important in nebular condensation. Consideration of these effects leads to the prediction of pressure-dependent compositions and physical properties of nebular condensates which is consistent with (1) the differences between different classes of chondritic meteorites, (2) some of the differences between planets, and (3) the presence of oxidized iron on the moon and in the eucrite parent body (presumably an asteroid) despite the low abundance of volatiles. Diffusion effects appear to be important for understanding oxygen isotope anomalies in refractory inclusions in Allende. The consideration of kinetic effects leads to more information concerning nebular processes than if equilibrium is assumed.

Non-equilibrium magnetic colloidal dispersions at liquid-air interfaces: dynamic patterns, magnetic order and self-assembled swimmers

International Nuclear Information System (INIS)

Snezhko, Alexey

2011-01-01

Colloidal dispersions of interacting particles subjected to an external periodic forcing often develop nontrivial self-assembled patterns and complex collective behavior. A fundamental issue is how collective ordering in such non-equilibrium systems arises from the dynamics of discrete interacting components. In addition, from a practical viewpoint, by working in regimes far from equilibrium new self-organized structures which are generally not available through equilibrium thermodynamics can be created. In this review spontaneous self-assembly phenomena in magnetic colloidal dispersions suspended at liquid-air interfaces and driven out of equilibrium by an alternating magnetic field are presented. Experiments reveal a new type of nontrivially ordered self-assembled structures emerging in such systems in a certain range of excitation parameters. These dynamic structures emerge as a result of the competition between magnetic and hydrodynamic forces and have complex unconventional magnetic ordering. Nontrivial self-induced hydrodynamic fields accompany each out-of-equilibrium pattern. Spontaneous symmetry breaking of the self-induced surface flows leading to a formation of self-propelled microstructures has been discovered. Some features of the self-localized structures can be understood in the framework of the amplitude equation (Ginzburg-Landau type equation) for parametric waves coupled to the conservation law equation describing the evolution of the magnetic particle density and the Navier-Stokes equation for hydrodynamic flows. To understand the fundamental microscopic mechanisms governing self-assembly processes in magnetic colloidal dispersions at liquid-air interfaces a first-principle model for a non-equilibrium self-assembly is presented. The latter model allows us to capture in detail the entire process of out-of-equilibrium self-assembly in the system and reproduces most of the observed phenomenology. (topical review)

Modelling of film condensation in presence of non condensable gases

International Nuclear Information System (INIS)

Genevieve Geffraye; Dominique Bestion; Vladimir Kalitvianski

2005-01-01

Full text of publication follows: This paper presents recent developments in the modelling of the condensation due to heat removal from a wall with a possible presence of hydrogen, nitrogen, or air. This work is mainly concerned with nuclear reactor safety with particular reference to situations related to new reactor design, cold shutdown state and severe accident analysis. Film condensation of steam in presence of nitrogen and helium in a tube has been investigated in the COTURNE experiment in a rather large range of parameters, pressure (from 0.1 to 7 Mpa), heat flux (0.1 to 6 W/cm 2 ), mass fraction of noncondensable gas (0 to 1) and also in presence of superheated steam. The experiment represents a Steam Generator tube of a Pressurised Water Reactor and can simulate both co-current or countercurrent flow of steam and water.The models are implemented in the CATHARE code used for nuclear reactor thermal-hydraulics. The code uses two mass balance equations for liquid and gas, two momentum balance equations for liquid and gas and two energy balance equations for liquid and gas. Additional mass transport equations can be added for each non condensable gas. Heat transfers from wall to liquid film, from liquid to interface and gas to interface are modelled. The liquid film heat transfer coefficient is first investigated in pure saturated steam conditions in the pressure range from 0.1 to 7 Mpa. The CATHARE film condensation model in pure steam conditions is derived from Chen's correlation. Chen proposes a general correlation for the film condensation, covering the wavy-laminar and the turbulent film regimes and taking into account the interfacial friction effect. A large data base of laminar film regime was used including COTURNE data other available data found in the literature. The analysis of these data base suggests an influence of the liquid Reynolds number, according to the Nusselt theory, and also of the Eoetvoes number, with surface tension effects. A

Recondensation phenomena of a hot two-phase fluid in the presence of non condensable gases

International Nuclear Information System (INIS)

Berthoud, G.

1983-09-01

The condensation rates obtained during the expansion of a large hot bubble containing non condensable gases in its cold liquid is studied. The failure of theories derived from the Nusselt model for liquid metals led to use the kinetic theory of condensation. The additionnal resistance due to the presence of non condensable gases is expressed by the vapor diffusion through the layer of gases which accumulates at the interface. This model is then used to interprete experiments [fr

Aerospace Applications of Non-Equilibrium Plasma

Science.gov (United States)

Blankson, Isaiah M.

2016-01-01

Nonequilibrium plasma/non-thermal plasma/cold plasmas are being used in a wide range of new applications in aeronautics, active flow control, heat transfer reduction, plasma-assisted ignition and combustion, noise suppression, and power generation. Industrial applications may be found in pollution control, materials surface treatment, and water purification. In order for these plasma processes to become practical, efficient means of ionization are necessary. A primary challenge for these applications is to create a desired non-equilibrium plasma in air by preventing the discharge from transitioning into an arc. Of particular interest is the impact on simulations and experimental data with and without detailed consideration of non-equilibrium effects, and the consequences of neglecting non-equilibrium. This presentation will provide an assessment of the presence and influence of non-equilibrium phenomena for various aerospace needs and applications. Specific examples to be considered will include the forward energy deposition of laser-induced non-equilibrium plasmoids for sonic boom mitigation, weakly ionized flows obtained from pulsed nanosecond discharges for an annular Hall type MHD generator duct for turbojet energy bypass, and fundamental mechanisms affecting the design and operation of novel plasma-assisted reactive systems in dielectric liquids (water purification, in-pipe modification of fuels, etc.).

SOLGASMIX-PV, Chemical System Equilibrium of Gaseous and Condensed Phase Mixtures

International Nuclear Information System (INIS)

Besmann, T.M.

1986-01-01

1 - Description of program or function: SOLGASMIX-PV, which is based on the earlier SOLGAS and SOLGASMIX codes, calculates equilibrium relationships in complex chemical systems. Chemical equilibrium calculations involve finding the system composition, within certain constraints, which contains the minimum free energy. The constraints are the preservation of the masses of each element present and either constant pressure or volume. SOLGASMIX-PV can calculate equilibria in systems containing a gaseous phase, condensed phase solutions, and condensed phases of invariant and variable stoichiometry. Either a constant total gas volume or a constant total pressure can be assumed. Unit activities for condensed phases and ideality for solutions are assumed, although nonideal systems can be handled provided activity coefficient relationships are available. 2 - Restrictions on the complexity of the problem: The program is designed to handle a maximum of 20 elements, 99 substances, and 10 mixtures, where the gas phase is considered a mixture. Each substance is either a gas or condensed phase species, or a member of a condensed phase mixture

Non-equilibrium Thermodynamic Dissolution Theory for Multi-Component Solid/Liquid Surfaces Involving Surface Adsorption and Radiolysis Kinetics

International Nuclear Information System (INIS)

Stout, R B

2001-01-01

A theoretical expression is developed for the dissolution rate response for multi-component radioactive materials that have surface adsorption kinetics and radiolysis kinetics when wetted by a multi-component aqueous solution. An application for this type of dissolution response is the performance evaluation of multi-component spent nuclear fuels (SNFs) for long term interim storage and for geological disposition. Typically, SNF compositions depend on initial composition, uranium oxide and metal alloys being most common, and on reactor burnup which results in a wide range of fission product and actinide concentrations that decay by alpha, beta, and gamma radiation. These compositional/burnup ranges of SNFs, whether placed in interim storage or emplaced in a geologic repository, will potentially be wetted by multi-component aqueous solutions, and these solutions may be further altered by radiolytic aqueous species due to three radiation fields. The solid states of the SNFs are not thermodynamically stable when wetted and will dissolve, with or without radiolysis. The following development of a dissolution theory is based on a non-equilibrium thermodynamic analysis of energy reactions and energy transport across a solid-liquid phase change discontinuity that propagates at a quasi-steady, dissolution velocity. The integral form of the energy balance equation is used for this spatial surface discontinuity analysis. The integral formulation contains internal energy functional of classical thermodynamics for both the SNFs' solid state and surface adsorption species, and the adjacent liquid state, which includes radiolytic chemical species. The steady-state concentrations of radiolytic chemical species are expressed by an approximate analysis of the decay radiation transport equation. For purposes of illustration a modified Temkin adsorption isotherm was assumed for the surface adsorption kinetics on an arbitrary, finite area of the solid-liquid dissolution interface. For

Quantum gases finite temperature and non-equilibrium dynamics

CERN Document Server

Szymanska, Marzena; Davis, Matthew; Gardiner, Simon

2013-01-01

The 1995 observation of Bose-Einstein condensation in dilute atomic vapours spawned the field of ultracold, degenerate quantum gases. Unprecedented developments in experimental design and precision control have led to quantum gases becoming the preferred playground for designer quantum many-body systems. This self-contained volume provides a broad overview of the principal theoretical techniques applied to non-equilibrium and finite temperature quantum gases. Covering Bose-Einstein condensates, degenerate Fermi gases, and the more recently realised exciton-polariton condensates, it fills a gap by linking between different methods with origins in condensed matter physics, quantum field theory, quantum optics, atomic physics, and statistical mechanics. Thematically organised chapters on different methodologies, contributed by key researchers using a unified notation, provide the first integrated view of the relative merits of individual approaches, aided by pertinent introductory chapters and the guidance of ed...

Non-Equilibrium Solidification of Undercooled Metallic Melts

Directory of Open Access Journals (Sweden)

Dieter M. Herlach

2014-06-01

Full Text Available If a liquid is undercooled below its equilibrium melting temperature an excess Gibbs free energy is created. This gives access to solidification of metastable solids under non-equilibrium conditions. In the present work, techniques of containerless processing are applied. Electromagnetic and electrostatic levitation enable to freely suspend a liquid drop of a few millimeters in diameter. Heterogeneous nucleation on container walls is completely avoided leading to large undercoolings. The freely suspended drop is accessible for direct observation of rapid solidification under conditions far away from equilibrium by applying proper diagnostic means. Nucleation of metastable crystalline phases is monitored by X-ray diffraction using synchrotron radiation during non-equilibrium solidification. While nucleation preselects the crystallographic phase, subsequent crystal growth controls the microstructure evolution. Metastable microstructures are obtained from deeply undercooled melts as supersaturated solid solutions, disordered superlattice structures of intermetallics. Nucleation and crystal growth take place by heat and mass transport. Comparative experiments in reduced gravity allow for investigations on how forced convection can be used to alter the transport processes and design materials by using undercooling and convection as process parameters.

A model for non-equilibrium, non-homogeneous two-phase critical flow

International Nuclear Information System (INIS)

Bassel, Wageeh Sidrak; Ting, Daniel Kao Sun

1999-01-01

Critical two phase flow is a very important phenomena in nuclear reactor technology for the analysis of loss of coolant accident. Several recent papers, Lee and Shrock (1990), Dagan (1993) and Downar (1996) , among others, treat the phenomena using complex models which require heuristic parameters such as relaxation constants or interfacial transfer models. In this paper a mathematical model for one dimensional non equilibrium and non homogeneous two phase flow in constant area duct is developed. The model is constituted of three conservation equations type mass ,momentum and energy. Two important variables are defined in the model: equilibrium constant in the energy equation and the impulse function in the momentum equation. In the energy equation, the enthalpy of the liquid phase is determined by a linear interpolation function between the liquid phase enthalpy at inlet condition and the saturated liquid enthalpy at local pressure. The interpolation coefficient is the equilibrium constant. The momentum equation is expressed in terms of the impulse function. It is considered that there is slip between the liquid and vapor phases, the liquid phase is in metastable state and the vapor phase is in saturated stable state. The model is not heuristic in nature and does not require complex interface transfer models. It is proved numerically that for the critical condition the partial derivative of two phase pressure drop with respect to the local pressure or to phase velocity must be zero.This criteria is demonstrated by numerical examples. The experimental work of Fauske (1962) and Jeandey (1982) were analyzed resulting in estimated numerical values for important parameters like slip ratio, equilibrium constant and two phase frictional drop. (author)

Non-equilibrium many body dynamics

International Nuclear Information System (INIS)

Creutz, M.; Gyulassy, M.

1997-01-01

This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop

Non-equilibrium many body dynamics

Energy Technology Data Exchange (ETDEWEB)

Creutz, M.; Gyulassy, M.

1997-09-22

This Riken BNL Research Center Symposium on Non-Equilibrium Many Body Physics was held on September 23-25, 1997 as part of the official opening ceremony of the Center at Brookhaven National Lab. A major objective of theoretical work at the center is to elaborate on the full spectrum of strong interaction physics based on QCD, including the physics of confinement and chiral symmetry breaking, the parton structure of hadrons and nuclei, and the phenomenology of ultra-relativistic nuclear collisions related to the up-coming experiments at RHIC. The opportunities and challenges of nuclear and particle physics in this area naturally involve aspects of the many body problem common to many other fields. The aim of this symposium was to find common theoretical threads in the area of non-equilibrium physics and modern transport theories. The program consisted of invited talks on a variety topics from the fields of atomic, condensed matter, plasma, astrophysics, cosmology, and chemistry, in addition to nuclear and particle physics. Separate abstracts have been indexed into the database for contributions to this workshop.

Non-Equilibrium Properties from Equilibrium Free Energy Calculations

Science.gov (United States)

Pohorille, Andrew; Wilson, Michael A.

2012-01-01

Calculating free energy in computer simulations is of central importance in statistical mechanics of condensed media and its applications to chemistry and biology not only because it is the most comprehensive and informative quantity that characterizes the eqUilibrium state, but also because it often provides an efficient route to access dynamic and kinetic properties of a system. Most of applications of equilibrium free energy calculations to non-equilibrium processes rely on a description in which a molecule or an ion diffuses in the potential of mean force. In general case this description is a simplification, but it might be satisfactorily accurate in many instances of practical interest. This hypothesis has been tested in the example of the electrodiffusion equation . Conductance of model ion channels has been calculated directly through counting the number of ion crossing events observed during long molecular dynamics simulations and has been compared with the conductance obtained from solving the generalized Nernst-Plank equation. It has been shown that under relatively modest conditions the agreement between these two approaches is excellent, thus demonstrating the assumptions underlying the diffusion equation are fulfilled. Under these conditions the electrodiffusion equation provides an efficient approach to calculating the full voltage-current dependence routinely measured in electrophysiological experiments.

Comparative study during condensation of R152 a and R134 a with presence of non-condensable gas inside a vertical tube

Science.gov (United States)

Charef, Adil; Feddaoui, M'barek; Najim, Monssif; Meftah, Hicham

2018-04-01

A computational study of the liquid film condensation from vapour-gas mixtures of HFC refrigerants inside a vertical tube is performed. The external wall of the tube is subjected to constant temperature. The model uses an implicit finite difference method to solve the governing equations for the liquid film and gas flow together including the boundary and interfacial matching conditions. Parametric computations were realised to examine the effects of inlet Reynolds number, tube length, and inlet temperature of the gas mixtures on the condensation mechanism. A comparative study between the results obtained for studied R152 a and R134 a with presence of non-condensable gas is made. The predicted results indicate that the condensation of R152 a-air corresponds to a higher accumulated condensation m c d and local heat transfer coefficient h T when compared to R134 a-air in the same conditions. Increasing the inlet Reynolds number or the tube length improve the condensation. Additionally, lower non-condensable gas in R152 a - a i r substantially enhances the heat and mass exchanges.

Heat and mass transfer prediction of binary refrigerant mixtures condensing in a horizontal microfin tube

Energy Technology Data Exchange (ETDEWEB)

Koyama, Shigeru; Yu, Jian; Ishibashi, Akira

1999-07-01

In the face of the phase-out of HCFC22 for its effect on globe environment, the alternative refrigerant has been paid attention in the refrigeration and heat pump industry. In the present stage, it is found that any pure refrigerant is not a good substitute of HCFC22 for the system in use. The authors have to use binary or ternary refrigerant mixtures as the substitute to meet industrial requirement. But until now, although the heat transfer characteristics of the refrigerant mixtures can be measured in experiments and predicted in some degree, the mass transfer characteristics in condensation process, which is a main part in most systems, can not be clarified by both experimental and theoretical methods. In the present study a non-equilibrium model for condensation of binary refrigerant mixtures inside a horizontal microfin tube is proposed. In this model it is assumed that the phase equilibrium is only established at the vapor-liquid interface, while the bulk vapor and the bulk liquid are in non-equilibrium in the same cross section. The mass transfer characteristic in vapor core is obtained from the analogy between mass and momentum transfer. In the liquid layer, the mass fraction distribution is neglected, but the mass transfer coefficient is treated as infinite that can keep a finite value for the mass transfer rate in liquid phase. From the calculation results compared with the experimental ones for the condensation of HFC134a/HCFC123 and HCFC22/CFC114 mixtures, it is found that the calculated heat flux distribution along the tube axis is in good agreement with that of experiment, and the calculated values of condensing length agree well with the experimental ones. Using the present model, the local mass faction distribution, the diffusion mass transfer rate and the mass transfer characteristics in both vapor and liquid phase are demonstrated. From these results, the effect of mass transfer resistance on condensation heat transfer characteristics for binary

The physics of exciton-polariton condensates

CERN Document Server

Lagoudakis, Konstantinos

2013-01-01

In 2006 researchers created the first polariton Bose-Einstein condensate at 19K in the solid state. Being inherently open quantum systems, polariton condensates open a window into the unpredictable world of physics beyond the “fifth state of matter”: the limited lifetime of polaritons renders polariton condensates out-of-equilibrium and provides a fertile test-bed for non-equilibrium physics. This book presents an experimental investigation into exciting features arising from this non-equilibrium behavior. Through careful experimentation, the author demonstrates the ability of polaritons to synchronize and create a single energy delocalized condensate. Under certain disorder and excitation conditions the complete opposite case of coexisting spatially overlapping condensates may be observed. The author provides the first demonstration of quantized vortices in polariton condensates and the first observation of fractional vortices with full phase and amplitude characterization. Finally, this book investigate...

Colloidal gas-liquid condensation of polystyrene latex particles with intermediate kappa a values (5 to 160, a > kappa(-1)).

Science.gov (United States)

Ishikawa, Masamichi; Kitano, Ryota

2010-02-16

Polystyrene latex particles showed gas-liquid condensation under the conditions of large particle radius (a > kappa(-1)) and intermediate kappa a, where kappa is the Debye-Hückel parameter and a is the particle radius. The particles were dissolved in deionized water containing ethanol from 0 to 77 vol %, settled to the bottom of the glass plate within 1 h, and then laterally moved toward the center of a cell over a 20 h period in reaching a state of equilibrium condensation. All of the suspensions that were 1 and 3 microm in diameter and 0.01-0.20 vol % in concentration realized similar gas-liquid condensation with clear gas-liquid boundaries. In 50 vol % ethanol solvent, additional ethanol was added to enhance the sedimentation force so as to restrict the particles in a monoparticle layer thickness. The coexistence of gas-liquid-solid (crystalline solid) was microscopically recognized from the periphery to the center of the condensates. A phase diagram of the gas-liquid condensation was created as a function of KCl concentration at a particle diameter of 3 microm, 0.10 vol % concentration, and 50:50 water/ethanol solvent at room temperature. The miscibility gap was observed in the concentration range from 1 to 250 microM. There was an upper limit of salt concentration where the phase separation disappeared, showing nearly critical behavior of macroscopic density fluctuation from 250 microM to 1 mM. These results add new experimental evidence to the existence of colloidal gas-liquid condensation and specify conditions of like-charge attraction between particles.

Apparatus of vaporizing and condensing liquid radioactive wastes and its operation method

International Nuclear Information System (INIS)

Irie, Hiromitsu; Tajima, Fumio.

1975-01-01

Object: To prevent corrosion of material for a vapor-condenser and a vapor heater and to prevent radioactive contamination of heated vapor. Structure: Liquid waste is fed from a liquid feeding tank to a vapor-condenser to vaporize and condense the waste. Uncondensed liquid waste, which is not in a level of a given density, is temporally stored in a batch tank through a switching valve and a pipe. Prior to successive feeding from the liquid feeding tank, the uncondensed liquid waste within the batch tank is returned by a return pump to the condenser, after which a new liquid is fed from the liquid feeding tank for re-vaporization and condensation in the vapor-condenser. Then, similar operation is repeated until the uncondensed liquid waste assumes a given density, and when the uncondensed liquid waste reaches a given density, the condensed liquid waste is discharged into the storage tank through the switching valve. (Ohara, T.)

Consequences of Molecular-Scale Non-Equilibrium Activity on the Dynamics and Mechanics of Self-Assembled Actin-Based Structures and Materials

Science.gov (United States)

Marshall Mccall, Patrick

turnover on the steady-state properties of collections of filaments remained unclear. Here, I reconstituted tunable, non-equilibrium actin turnover dynamics in entangled solutions of actin filaments as a model of the actin cortex of living cells. We found that this non-equilibrium turnover decouples solution mechanics from microstructure, enabling structurally indistinguishable materials to behave effectively as either viscous fluids or elastic gels. Additionally, we employed computer simulations to identify the dynamical regime in which actin turnover controls the effective viscosity of 2D cross-linked actin networks in the presence of motors. Additionally, I examine in this thesis the localization and self-assembly of actin filaments in condensed liquid phases called polyelectrolyte coacervates as a model membrane-less organelle. We find that concentration of actin through spontaneous partitioning preferentially to the coacervate phase accelerates the assembly of filaments. These filaments then localize to the coacervate-bulk interface, generating particles with visco-elastic shells surrounding liquid cores. In this case, the properties of the condensed phase enable regulation of actin assembly dynamics.

Non-equilibrium theory of arrested spinodal decomposition

Energy Technology Data Exchange (ETDEWEB)

Olais-Govea, José Manuel; López-Flores, Leticia; Medina-Noyola, Magdaleno [Instituto de Física “Manuel Sandoval Vallarta,” Universidad Autónoma de San Luis Potosí, Álvaro Obregón 64, 78000 San Luis Potosí, SLP (Mexico)

2015-11-07

The non-equilibrium self-consistent generalized Langevin equation theory of irreversible relaxation [P. E. Ramŕez-González and M. Medina-Noyola, Phys. Rev. E 82, 061503 (2010); 82, 061504 (2010)] is applied to the description of the non-equilibrium processes involved in the spinodal decomposition of suddenly and deeply quenched simple liquids. For model liquids with hard-sphere plus attractive (Yukawa or square well) pair potential, the theory predicts that the spinodal curve, besides being the threshold of the thermodynamic stability of homogeneous states, is also the borderline between the regions of ergodic and non-ergodic homogeneous states. It also predicts that the high-density liquid-glass transition line, whose high-temperature limit corresponds to the well-known hard-sphere glass transition, at lower temperature intersects the spinodal curve and continues inside the spinodal region as a glass-glass transition line. Within the region bounded from below by this low-temperature glass-glass transition and from above by the spinodal dynamic arrest line, we can recognize two distinct domains with qualitatively different temperature dependence of various physical properties. We interpret these two domains as corresponding to full gas-liquid phase separation conditions and to the formation of physical gels by arrested spinodal decomposition. The resulting theoretical scenario is consistent with the corresponding experimental observations in a specific colloidal model system.

Liquid oil production from shale gas condensate reservoirs

Science.gov (United States)

Sheng, James J.

2018-04-03

A process of producing liquid oil from shale gas condensate reservoirs and, more particularly, to increase liquid oil production by huff-n-puff in shale gas condensate reservoirs. The process includes performing a huff-n-puff gas injection mode and flowing the bottom-hole pressure lower than the dew point pressure.

Microcavity quantum-dot systems for non-equilibrium Bose-Einstein condensation

International Nuclear Information System (INIS)

Piper, I M; Ediger, M; Wilson, A M; Wu, Y; Phillips, R T; Eastham, P R; Hugues, M; Hopkinson, M

2010-01-01

We review the practical conditions required to achieve a non-equilibrium BEC driven by quantum dynamics in a system comprising a microcavity field mode and a distribution of localised two-level systems driven to a step-like population inversion profile. A candidate system based on eight 3.8nm layers of In 0.23 Ga 0.77 As in GaAs shows promising characteristics with regard to the total dipole strength which can be coupled to the field mode.

Numerical Simulation of Non-Equilibrium Two-Phase Wet Steam Flow through an Asymmetric Nozzle

Directory of Open Access Journals (Sweden)

Miah Md Ashraful Alam

2017-11-01

Full Text Available The present study reported of the numerical investigation of a high-speed wet steam flow through an asymmetric nozzle. The spontaneous non-equilibrium homogeneous condensation of wet steam was numerically modeled based on the classical nucleation theory and droplet growth rate equation combined with the field conservations within the computational fluid dynamics (CFD code of ANSYS Fluent 13.0. The equations describing droplet formations and interphase change were solved sequentially after solving the main flow conservation equations. The calculations were carried out assuming the flow two-dimensional, compressible, turbulent, and viscous. The SST k-ω model was used for modeling the turbulence within an unstructured mesh solver. The validation of numerical model was accomplished, and the results showed a good agreement between the numerical simulation and experimental data. The effect of spontaneous non-equilibrium condensation on the jet and shock structures was revealed, and the condensation shown a great influence on the jet structure.

Microcavity quantum-dot systems for non-equilibrium Bose-Einstein condensation

Energy Technology Data Exchange (ETDEWEB)

Piper, I M; Ediger, M; Wilson, A M; Wu, Y; Phillips, R T [Cavendish Laboratory, University of Cambridge, J J Thomson Avenue, Cambridge CB3 0HE (United Kingdom); Eastham, P R [School of Physics, Trinity College Dublin, Dublin 2 (Ireland); Hugues, M; Hopkinson, M, E-mail: imp24@cam.ac.u [Department of Electronic and Electrical Engineering, University of Sheffield, Mappin Street, Sheffield, S1 3JD (United Kingdom)

2010-09-01

We review the practical conditions required to achieve a non-equilibrium BEC driven by quantum dynamics in a system comprising a microcavity field mode and a distribution of localised two-level systems driven to a step-like population inversion profile. A candidate system based on eight 3.8nm layers of In{sub 0.23}Ga{sub 0.77}As in GaAs shows promising characteristics with regard to the total dipole strength which can be coupled to the field mode.

Calculation of liquid-liquid equilibrium of aqueous two-phase systems using a chemical-theory-based excess Gibbs energy model

Directory of Open Access Journals (Sweden)

Pessôa Filho P. A.

2004-01-01

Full Text Available Mixtures containing compounds that undergo hydrogen bonding show large deviations from ideal behavior. These deviations can be accounted for through chemical theory, according to which the formation of a hydrogen bond can be treated as a chemical reaction. This chemical equilibrium needs to be taken into account when applying stability criteria and carrying out phase equilibrium calculations. In this work, we illustrate the application of the stability criteria to establish the conditions under which a liquid-phase split may occur and the subsequent calculation of liquid-liquid equilibrium using a chemical-theory-modified Flory-Huggins equation to describe the non ideality of aqueous two-phase systems composed of poly(ethylene glycol and dextran. The model was found to be able to correlate ternary liquid-liquid diagrams reasonably well by simple adjustment of the polymer-polymer binary interaction parameter.

Use of fundamental condensation heat transfer experiments for the development of a sub-grid liquid jet condensation model

Energy Technology Data Exchange (ETDEWEB)

Buschman, Francis X., E-mail: Francis.Buschman@unnpp.gov; Aumiller, David L.

2017-02-15

Highlights: • Direct contact condensation data on liquid jets up to 1.7 MPa in pure steam and in the presence of noncondensable gas. • Identified a pressure effect on the impact of noncondensables to suppress condensation heat transfer not captured in existing data or correlations. • Pure steam data is used to develop a new correlation for condensation heat transfer on subcooled liquid jets. • Noncondensable data used to develop a modification to the renewal time estimate used in the Young and Bajorek correlation for condensation suppression in the presence of noncondensables. • A jet injection boundary condition, using a sub-grid jet condensation model, is developed for COBRA-IE which provides a more detailed estimate of the condensation rate on the liquid jet and allows the use of jet specific closure relationships. - Abstract: Condensation on liquid jets is an important phenomenon for many different facets of nuclear power plant transients and analyses such as containment spray cooling. An experimental facility constructed at the Pennsylvania State University, the High Pressure Liquid Jet Condensation Heat Transfer facility (HPLJCHT), has been used to perform steady-state condensation heat transfer experiments in which the temperature of the liquid jet is measured at different axial locations allowing the condensation rate to be determined over the jet length. Test data have been obtained in a pure steam environment and with varying concentrations of noncondensable gas. This data extends the available jet condensation data from near atmospheric pressure up to a pressure of 1.7 MPa. An empirical correlation for the liquid side condensation heat transfer coefficient has been developed based on the data obtained in pure steam. The data obtained with noncondensable gas were used to develop a correlation for the renewal time as used in the condensation suppression model developed by Young and Bajorek. This paper describes a new sub-grid liquid jet

Use of fundamental condensation heat transfer experiments for the development of a sub-grid liquid jet condensation model

International Nuclear Information System (INIS)

Buschman, Francis X.; Aumiller, David L.

2017-01-01

Highlights: • Direct contact condensation data on liquid jets up to 1.7 MPa in pure steam and in the presence of noncondensable gas. • Identified a pressure effect on the impact of noncondensables to suppress condensation heat transfer not captured in existing data or correlations. • Pure steam data is used to develop a new correlation for condensation heat transfer on subcooled liquid jets. • Noncondensable data used to develop a modification to the renewal time estimate used in the Young and Bajorek correlation for condensation suppression in the presence of noncondensables. • A jet injection boundary condition, using a sub-grid jet condensation model, is developed for COBRA-IE which provides a more detailed estimate of the condensation rate on the liquid jet and allows the use of jet specific closure relationships. - Abstract: Condensation on liquid jets is an important phenomenon for many different facets of nuclear power plant transients and analyses such as containment spray cooling. An experimental facility constructed at the Pennsylvania State University, the High Pressure Liquid Jet Condensation Heat Transfer facility (HPLJCHT), has been used to perform steady-state condensation heat transfer experiments in which the temperature of the liquid jet is measured at different axial locations allowing the condensation rate to be determined over the jet length. Test data have been obtained in a pure steam environment and with varying concentrations of noncondensable gas. This data extends the available jet condensation data from near atmospheric pressure up to a pressure of 1.7 MPa. An empirical correlation for the liquid side condensation heat transfer coefficient has been developed based on the data obtained in pure steam. The data obtained with noncondensable gas were used to develop a correlation for the renewal time as used in the condensation suppression model developed by Young and Bajorek. This paper describes a new sub-grid liquid jet

Modeling of the (liquid + liquid) equilibrium of polydisperse hyperbranched polymer solutions by lattice-cluster theory

International Nuclear Information System (INIS)

Enders, Sabine; Browarzik, Dieter

2014-01-01

Graphical abstract: - Highlights: • Calculation of the (liquid + liquid) equilibrium of hyperbranched polymer solutions. • Description of branching effects by the lattice-cluster theory. • Consideration of self- and cross association by chemical association models. • Treatment of the molar-mass polydispersity by the use of continuous thermodynamics. • Improvement of the theoretical results by the incorporation of polydispersity. - Abstract: The (liquid + liquid) equilibrium of solutions of hyperbranched polymers of the Boltorn type is modeled in the framework of lattice-cluster theory. The association effects are described by the chemical association models CALM (for self association) and ECALM (for cross association). For the first time the molar mass polydispersity of the hyperbranched polymers is taken into account. For this purpose continuous thermodynamics is applied. Because the segment-molar excess Gibbs free energy depends on the number average of the segment number of the polymer the treatment is more general than in previous papers on continuous thermodynamics. The polydispersity is described by a generalized Schulz–Flory distribution. The calculation of the cloud-point curve reduces to two equations that have to be numerically solved. Conditions for the calculation of the spinodal curve and of the critical point are derived. The calculated results are compared to experimental data taken from the literature. For Boltorn solutions in non-polar solvents the polydispersity influence is small. In all other of the considered cases polydispersity influences the (liquid + liquid) equilibrium considerably. However, association and polydispersity influence phase equilibrium in a complex manner. Taking polydispersity into account the accuracy of the calculations is improved, especially, in the diluted region

Equilibrium and out-of-equilibrium thermodynamics in supercooled liquids and glasses

International Nuclear Information System (INIS)

Mossa, S; Nave, E La; Tartaglia, P; Sciortino, F

2003-01-01

We review the inherent structure thermodynamical formalism and the formulation of an equation of state (EOS) for liquids in equilibrium based on the (volume) derivatives of the statistical properties of the potential energy surface. We also show that, under the hypothesis that during ageing the system explores states associated with equilibrium configurations, it is possible to generalize the proposed EOS to out-of-equilibrium (OOE) conditions. The proposed formulation is based on the introduction of one additional parameter which, in the chosen thermodynamic formalism, can be chosen as the local minimum where the slowly relaxing OOE liquid is trapped

Stability of equilibrium states in finite samples of smectic C* liquid crystals

International Nuclear Information System (INIS)

Stewart, I W

2005-01-01

Equilibrium solutions for a sample of ferroelectric smectic C (SmC*) liquid crystal in the 'bookshelf' geometry under the influence of a tilted electric field will be presented. A linear stability criterion is identified and used to confirm stability for typical materials possessing either positive or negative dielectric anisotropy. The theoretical response times for perturbations to the equilibrium solutions are calculated numerically and found to be consistent with estimates for response times in ferroelectric smectic C liquid crystals reported elsewhere in the literature for non-tilted fields

Gas condensate--raw material for producing liquid paraffin hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Aliyeva, R.B.; Alikishi-Zade, G.Yu.; Kuliyev, A.M.; Leonidov, A.N.; Pereverzev, A.N.

1980-01-01

The problem of efficient utilization of gas condensates as raw material for removal of a valuable product, liquid paraffins, is examined. A classification of gas condensates is given which is used as raw material for removing these hydrocarbons: gas condensate with high content of n-alkanes (25-40 mass percent), with average content (18-25 mass percent), with low content (12-18 mass percent), light weight fractions compositions, which do not contain fractions up to 200/sup 0/, and also, content ofless than 12% n-alkanes. Gas condensate I-III groups are 30% of the total reserve of gas condensate. Liquid paraffins hydrocarbons, produced from fractions of diesel fuel, which has been removed from Shatlyk gas condensate under conditions which simulate virtual processes of caramide deparaffinization meet all requirements without additional refining.

Temporal dynamics of Bose-condensed gases

Energy Technology Data Exchange (ETDEWEB)

Trujillo Martinez, Mauricio

2014-03-19

We perform a detailed quantum dynamical study of non-equilibrium trapped, interacting Bose-condensed gases. We investigate Josephson oscillations between interacting Bose-Einstein condensates confined in a finite size double-well trap and the non-trivial time evolution of a coherent state placed at the center of a two dimensional optical lattice. For the Josephson oscillations three time scales appear. We find that Josephson junction can sustain multiple undamped oscillations up to a characteristic time scale τ{sub c} without exciting atoms out of the condensates. Beyond the characteristic time scale τ{sub c} the dynamics of the junction are governed by fast, non-condensed particles assisted Josephson tunnelling as well as the collisions between non-condensed particles. In the non-condensed particles dominated regime we observe strong damping of the oscillations due to inelastic collisions, equilibrating the system leading to an effective loss of details of the initial conditions. In addition, we predict that an initially self-trapped BEC state will be destroyed by these fast dynamics. The time evolution of a coherent state released at the center of a two dimensional optical lattice shows a ballistic expansion with a decreasing expansion velocity for increasing two-body interactions strength and particle number. Additionally, we predict that if the two-body interactions strength exceeds a certain value, a forerunner splits up from the expanding coherent state. We also observe that this system, which is prepared far from equilibrium, can evolve to a quasistationary non-equilibrium state.

Stability of equilibrium states in finite samples of smectic C* liquid crystals

Energy Technology Data Exchange (ETDEWEB)

Stewart, I W [Department of Mathematics, University of Strathclyde, Livingstone Tower, 26 Richmond Street, Glasgow G1 1XH (United Kingdom)

2005-03-04

Equilibrium solutions for a sample of ferroelectric smectic C (SmC*) liquid crystal in the 'bookshelf' geometry under the influence of a tilted electric field will be presented. A linear stability criterion is identified and used to confirm stability for typical materials possessing either positive or negative dielectric anisotropy. The theoretical response times for perturbations to the equilibrium solutions are calculated numerically and found to be consistent with estimates for response times in ferroelectric smectic C liquid crystals reported elsewhere in the literature for non-tilted fields.

Non-equilibrium supramolecular polymerization.

Science.gov (United States)

Sorrenti, Alessandro; Leira-Iglesias, Jorge; Markvoort, Albert J; de Greef, Tom F A; Hermans, Thomas M

2017-09-18

Supramolecular polymerization has been traditionally focused on the thermodynamic equilibrium state, where one-dimensional assemblies reside at the global minimum of the Gibbs free energy. The pathway and rate to reach the equilibrium state are irrelevant, and the resulting assemblies remain unchanged over time. In the past decade, the focus has shifted to kinetically trapped (non-dissipative non-equilibrium) structures that heavily depend on the method of preparation (i.e., pathway complexity), and where the assembly rates are of key importance. Kinetic models have greatly improved our understanding of competing pathways, and shown how to steer supramolecular polymerization in the desired direction (i.e., pathway selection). The most recent innovation in the field relies on energy or mass input that is dissipated to keep the system away from the thermodynamic equilibrium (or from other non-dissipative states). This tutorial review aims to provide the reader with a set of tools to identify different types of self-assembled states that have been explored so far. In particular, we aim to clarify the often unclear use of the term "non-equilibrium self-assembly" by subdividing systems into dissipative, and non-dissipative non-equilibrium states. Examples are given for each of the states, with a focus on non-dissipative non-equilibrium states found in one-dimensional supramolecular polymerization.

Non-equilibrium coherence dynamics in one-dimensional Bose gases

DEFF Research Database (Denmark)

Hofferberth, S.; Lesanovsky, Igor; Fischer, B.

2007-01-01

Low-dimensional systems provide beautiful examples of many-body quantum physics. For one-dimensional (1D) systems, the Luttinger liquid approach provides insight into universal properties. Much is known of the equilibrium state, both in the weakly and strongly interacting regimes. However......, the coherence factor is observed to approach a non-zero equilibrium value, as predicted by a Bogoliubov approach. This coupled-system decay to finite coherence is the matter wave equivalent of phase-locking two lasers by injection. The non-equilibrium dynamics of superfluids has an important role in a wide...... range of physical systems, such as superconductors, quantum Hall systems, superfluid helium and spin systems. Our experiments studying coherence dynamics show that 1D Bose gases are ideally suited for investigating this class of phenomena....

Characterization of non equilibrium effects on high quality critical flows

International Nuclear Information System (INIS)

Camelo, E.; Lemonnier, H.; Ochterbeck, J.

1995-01-01

The appropriate design of various pieces of safety equipment such as relief systems, relies on the accurate description of critical flow phenomena. Most of the systems of industrial interest are willing to be described by one-dimensional area-averaged models and a large fraction of them involves multi-component high gas quality flows. Within these circumstances, the flow is very likely to be of an annular dispersed nature and its description by two-fluid models requires various closure relations. Among the most sensitive closures, there is the interfacial area and the liquid entrained fraction. The critical flowrate depends tremendously on the accurate description of the non equilibrium which results from the correctness of the closure equations. In this study, two-component flows are emphasized and non equilibrium results mainly form the differences in the phase velocities. It is therefore of the utmost importance to have reliable data to characterize non equilibrium phenomena and to assess the validity of the closure models. A comprehensive description of air-water nozzle flows, with emphasis on the effect of the nozzle geometry, has been undertaken and some of the results are presented here which helps understanding the overall flow dynamics. Besides the critical flowrate, the presented material includes pressure profiles, droplet size and velocity, liquid film flowrate and liquid film thickness

Characterization of non equilibrium effects on high quality critical flows

Energy Technology Data Exchange (ETDEWEB)

Camelo, E.; Lemonnier, H.; Ochterbeck, J. [Commissariat a l Energie Atomique, Grenoble (France)] [and others

1995-09-01

The appropriate design of various pieces of safety equipment such as relief systems, relies on the accurate description of critical flow phenomena. Most of the systems of industrial interest are willing to be described by one-dimensional area-averaged models and a large fraction of them involves multi-component high gas quality flows. Within these circumstances, the flow is very likely to be of an annular dispersed nature and its description by two-fluid models requires various closure relations. Among the most sensitive closures, there is the interfacial area and the liquid entrained fraction. The critical flowrate depends tremendously on the accurate description of the non equilibrium which results from the correctness of the closure equations. In this study, two-component flows are emphasized and non equilibrium results mainly form the differences in the phase velocities. It is therefore of the utmost importance to have reliable data to characterize non equilibrium phenomena and to assess the validity of the closure models. A comprehensive description of air-water nozzle flows, with emphasis on the effect of the nozzle geometry, has been undertaken and some of the results are presented here which helps understanding the overall flow dynamics. Besides the critical flowrate, the presented material includes pressure profiles, droplet size and velocity, liquid film flowrate and liquid film thickness.

Phase stability analysis of liquid-liquid equilibrium with stochastic methods

Directory of Open Access Journals (Sweden)

G. Nagatani

2008-09-01

Full Text Available Minimization of Gibbs free energy using activity coefficient models and nonlinear equation solution techniques is commonly applied to phase stability problems. However, when conventional techniques, such as the Newton-Raphson method, are employed, serious convergence problems may arise. Due to the existence of multiple solutions, several problems can be found in modeling liquid-liquid equilibrium of multicomponent systems, which are highly dependent on the initial guess. In this work phase stability analysis of liquid-liquid equilibrium is investigated using the NRTL model. For this purpose, two distinct stochastic numerical algorithms are employed to minimize the tangent plane distance of Gibbs free energy: a subdivision algorithm that can find all roots of nonlinear equations for liquid-liquid stability analysis and the Simulated Annealing method. Results obtained in this work for the two stochastic algorithms are compared with those of the Interval Newton method from the literature. Several different binary and multicomponent systems from the literature were successfully investigated.

Transient direct-contact condensation on liquid droplets

International Nuclear Information System (INIS)

Pasamehmetoglu, K.O.; Nelson, R.A.

1987-01-01

In this paper, direct-contact condensation on subcooled liquid droplets is studied in two parts. In the first part, simple design correlations for the condensation in a steady environment are developed based upon a conduction model. These correlations include the convective heat-transfer coefficient, condensation rate, total condensation, and the droplet-thermalization time. In the second part of the paper, the effect of a time-dependent saturation temperature on the condensation process is investigated. A rapid decrease in saturation temperature is typical of condensation environments in which the steam-supply rate is limited and condensation-induced depressurization becomes important. Design correlations are developed for condensation in an environment in which the saturation temperature decreases linearly with time. These correlations are graphically compared to the design correlations of the first part through a quasi-steady approach. The error associated with this approach is quantified as a function of the rate of change of the saturation temperature

Post-CHF heat transfer: a non-equilibrium, relaxation model

International Nuclear Information System (INIS)

Jones, O.C. Jr.; Zuber, N.

1977-01-01

Existing phenomenological models of heat transfer in the non-equilibrium, liquid-deficient, dispersed flow regime can sometimes predict the thermal behavior fairly well but are quite complex, requiring coupled simultaneous differential equations to describe the axial gradients of mass and energy along with those of droplet acceleration and size. In addition, empirical relations are required to express the droplet breakup and increased effective heat transfer due to holdup. This report describes the development of a different approach to the problem. It is shown that the non-equilibrium component of the total energy can be expressed as a first order, inhomogeneous relaxation equation in terms of one variable coefficient termed the Superheat Relaxation number. A demonstration is provided to show that this relaxation number can be correlated using local variables in such a manner to allow the single non-equilibrium equation to accurately calculate the effects of mass velocity and heat flux along with tube length, diameter, and critical quality for equilibrium qualities from 0.13 to over 3.0

Disorder Induced Dynamic Equilibrium Localization and Random Phase Steps of Bose—Einstein Condensates

International Nuclear Information System (INIS)

Duan Ya-Fan; Xu Zhen; Qian Jun; Sun Jian-Fang; Jiang Bo-Nan; Hong Tao

2011-01-01

We numerically analyze the dynamic behavior of Bose—Einstein condensate (BEC) in a one-dimensional disordered potential before it completely loses spatial quantum coherence. We find that both the disorder statistics and the atom interactions produce remarkable effects on localization. We also find that the single phase of the initial condensate is broken into many small pieces while the system approaches localization, showing a counter-intuitive step-wise phase but not a thoroughly randomized phase. Although the condensates as a whole show less flow and expansion, the currents between adjacent phase steps retain strong time dependence. Thus we show explicitly that the localization of a finite size Bose—Einstein condensate is a dynamic equilibrium state. (general)

Homogeneous non-equilibrium two-phase critical flow model

International Nuclear Information System (INIS)

Schroeder, J.J.; Vuxuan, N.

1987-01-01

An important aspect of nuclear and chemical reactor safety is the ability to predict the maximum or critical mass flow rate from a break or leak in a pipe system. At the beginning of such a blowdown, if the stagnation condition of the fluid is subcooled or slightly saturated thermodynamic non-equilibrium exists in the downstream, e.g. the fluid becomes superheated to a degree determined by the liquid pressure. A simplified non-equilibrium model, explained in this report, is valid for rapidly decreasing pressure along the flow path. It presumes that fluid has to be superheated by an amount governed by physical principles before it starts to flash into steam. The flow is assumed to be homogeneous, i.e. the steam and liquid velocities are equal. An adiabatic flow calculation mode (Fanno lines) is employed to evaluate the critical flow rate for long pipes. The model is found to satisfactorily describe critical flow tests. Good agreement is obtained with the large scale Marviken tests as well as with small scale experiments. (orig.)

Non-equilibrium dynamics of one-dimensional Bose gases

International Nuclear Information System (INIS)

Langen, T.

2013-01-01

Understanding the non-equilibrium dynamics of isolated quantum many-body systems is an open problem on vastly different energy, length, and time scales. Examples range from the dynamics of the early universe and heavy-ion collisions to the subtle coherence and transport properties in condensed matter physics. However, realizations of such quantum many-body systems, which are both well isolated from the environment and accessible to experimental study are scarce. This thesis presents a series of experiments with ultracold one-dimensional Bose gases. These gases combine a nearly perfect isolation from the environment with many well-established methods to manipulate and probe their quantum states. This makes them an ideal model system to explore the physics of quantum many body systems out of equilibrium. In the experiments, a well-defined non-equilibrium state is created by splitting a single one-dimensional gas coherently into two parts. The relaxation of this state is probed using matter-wave interferometry. The Observations reveal the emergence of a prethermalized steady state which differs strongly from thermal equilibrium. Such thermal-like states had previously been predicted for a large variety of systems, but never been observed directly. Studying the relaxation process in further detail shows that the thermal correlations of the prethermalized state emerge locally in their final form and propagate through the system in a light-cone-like evolution. This provides first experimental evidence for the local relaxation conjecture, which links relaxation processes in quantum many-body systems to the propagation of correlations. Furthermore, engineering the initial state of the evolution demonstrates that the prethermalized state is described by a generalized Gibbs ensemble, an observation which substantiates the importance of this ensemble as an extension of standard statistical mechanics. Finally, an experiment is presented, where pairs of gases with an atom

A simple non-equilibrium, statistical-physics toy model of thin-film growth

International Nuclear Information System (INIS)

Ochab, Jeremi K; Nagel, Hannes; Janke, Wolfhard; Waclaw, Bartlomiej

2015-01-01

We present a simple non-equilibrium model of mass condensation with Lennard–Jones interactions between particles and the substrate. We show that when some number of particles is deposited onto the surface and the system is left to equilibrate, particles condense into an island if the density of particles becomes higher than some critical density. We illustrate this with numerically obtained phase diagrams for three-dimensional systems. We also solve a two-dimensional counterpart of this model analytically and show that not only the phase diagram but also the shape of the cross-sections of three-dimensional condensates qualitatively matches the two-dimensional predictions. Lastly, we show that when particles are being deposited with a constant rate, the system has two phases: a single condensate for low deposition rates, and multiple condensates for fast deposition. The behaviour of our model is thus similar to that of thin film growth processes, and in particular to Stranski–Krastanov growth. (paper)

Non-equilibrium fluctuation-induced interactions

International Nuclear Information System (INIS)

Dean, David S

2012-01-01

We discuss non-equilibrium aspects of fluctuation-induced interactions. While the equilibrium behavior of such interactions has been extensively studied and is relatively well understood, the study of these interactions out of equilibrium is relatively new. We discuss recent results on the non-equilibrium behavior of systems whose dynamics is of the dissipative stochastic type and identify a number of outstanding problems concerning non-equilibrium fluctuation-induced interactions.

The nuclear quantum liquid off equilibrium

International Nuclear Information System (INIS)

Bjoernholm, S.

1986-01-01

Fusion, fission, quasifission and deep inelastic scattering of heavy ions sample the behaviour of the nuclear quantum liquid when it is far from equilibrium. This considerably augments the picture of nuclei obtained on the basis of specific perturbative disturbances of the equilibrium configurations, and from compound nucleus decay. Some peculiar properties of a quantum liquid composed of fermions ( 3 He or nucleons) with a mean free path that exceeds the dimensions of the system are reviewed and discussed in relation to measurements of mass asymmetry relaxation in quasifission. It is concluded that heavy ion reactions are especially well suited for studying quantum liquids in the limit where interactions between the particles and the self-consistent surface dominate the dissipative behaviour and where dissipation-fluctuation correlations are important. (orig.)

Phase coexistence in thin liquid films stabilized by colloidal particles: equilibrium and non-equilibrium properties

International Nuclear Information System (INIS)

Blawzdziewicz, J.; Wajnryb, E.

2005-01-01

Phase equilibria between regions of different thickness in thin liquid films stabilized by colloidal particles are investigated using a quasi-two-dimensional thermodynamic formalism. Appropriate equilibrium conditions for the film tension, normal pressure, and chemical potential of the particles in the film are formulated, and it is shown that the relaxation of these parameters occurs consecutively on three distinct time scales. Film stratification is described quantitatively for a hard-sphere suspension using a Monte-Carlo method to evaluate thermodynamic equations of state. Coexisting phases are determined for systems in constrained- and full-equilibrium states that correspond to different stages of film relaxation. We also evaluated the effective viscosity coefficients for two-dimensional compressional and shear flows of a film and the self and collective mobility coefficients of the stabilizing particles. The hydrodynamic calculations were performed using a multiple-reflection representation of Stokes flow between two free surfaces. In this approach, the particle-laden film is equivalent to a periodic system of spheres with a unit cell that is much smaller in the transverse direction than in the lateral direction. (author)

Applications of non-equilibrium plasma in chemical processes

International Nuclear Information System (INIS)

Patino, P.; Castro, A.

2003-01-01

By means of optical emission spectroscopy the population of O( 3 P) in a non-equilibrium, high voltage, oxygen plasma, and O( 3 P), H and OH in another of steam in radio frequency, have been followed. Reactions of both plasmas with liquid hydrocarbons have produced oxidation and/or hydrogenation, depending on the conditions of each one. (Author)

Equilibrium and non-equilibrium phenomena in arcs and torches

NARCIS (Netherlands)

Mullen, van der J.J.A.M.

2000-01-01

A general treatment of non-equilibrium plasma aspects is obtained by relating transport fluxes to equilibrium restoring processes in so-called disturbed Bilateral Relations. The (non) equilibrium stage of a small microwave induced plasma serves as case study.

Numerical Analysis of Solitary Wave Influence on the Film-wise Condensation in Presence of Non-Condensable Gases

International Nuclear Information System (INIS)

Krzysztof Karkoszka; Henryk Anglart

2006-01-01

This paper is dealing with the analysis of condensation in presence of non-condensable gas on a laminar liquid film falling down on a vertical smooth surface. Particular interest is focused on the influence of solitary waves on the condensation process. Solutions to the pressure, velocity, temperature and additional scalar variable fields are obtained numerically by solving two -- dimensional Navier - Stokes equations formulated in a general coordinate system and applying the artificial compressibility method. The whole system of equations together with adequate boundary conditions is implemented using the finite difference method and solved in the Matlab R code. Both implicit Crank - Nicolson and Euler schemes for the time derivatives are initially used and the latter one is chosen as a more stable. All computations are carried out with prescribed geometry for a film and gas domains and a special attention is focused mainly on the modelling of the influence of the interfacial boundary conditions on the heat transfer process between gaseous mixture and liquid phases. Description of the physical, mathematical and numerical models and several examples of the solutions are presented. Conclusions on the wave hydrodynamics influence on the heat transfer during phase change process are drawn. (authors)

Non-equilibrium Economics

Directory of Open Access Journals (Sweden)

Katalin Martinás

2007-02-01

Full Text Available A microeconomic, agent based framework to dynamic economics is formulated in a materialist approach. An axiomatic foundation of a non-equilibrium microeconomics is outlined. Economic activity is modelled as transformation and transport of commodities (materials owned by the agents. Rate of transformations (production intensity, and the rate of transport (trade are defined by the agents. Economic decision rules are derived from the observed economic behaviour. The non-linear equations are solved numerically for a model economy. Numerical solutions for simple model economies suggest that the some of the results of general equilibrium economics are consequences only of the equilibrium hypothesis. We show that perfect competition of selfish agents does not guarantee the stability of economic equilibrium, but cooperativity is needed, too.

Modeling non-adiabatic photoexcited reaction dynamics in condensed phases

International Nuclear Information System (INIS)

Coker, D.F.

2003-01-01

Reactions of photoexcited molecules, ions, and radicals in condensed phase environments involve non-adiabatic dynamics over coupled electronic surfaces. We focus on how local environmental symmetries can effect non-adiabatic coupling between excited electronic states and thus influence, in a possibly controllable way, the outcome of photo-excited reactions. Semi-classical and mixed quantum-classical non-adiabatic molecular dynamics methods, together with semi-empirical excited state potentials are used to probe the dynamical mixing of electronic states in different environments from molecular clusters, to simple liquids and solids, and photo-excited reactions in complex reaction environments such as zeolites

Non-equilibrium physics at a holographic chiral phase transition

Energy Technology Data Exchange (ETDEWEB)

Evans, Nick; Kim, Keun-young [Southampton Univ. (United Kingdom). School of Physics and Astronomy; Kavli Institute for Theoretical Physics China, Beijing (China); Kalaydzhyan, Tigran; Kirsch, Ingo [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2010-11-15

The D3/D7 system holographically describes an N=2 gauge theory which spontaneously breaks a chiral symmetry by the formation of a quark condensate in the presence of a magnetic field. At finite temperature it displays a first order phase transition. We study out of equilibrium dynamics associated with this transition by placing probe D7 branes in a geometry describing a boost-invariant expanding or contracting plasma. We use an adiabatic approximation to track the evolution of the quark condensate in a heated system and reproduce the phase structure expected from equilibrium dynamics. We then study solutions of the full partial differential equation that describes the evolution of out of equilibrium configurations to provide a complete description of the phase transition including describing aspects of bubble formation. (orig.)

Pressurization of a Flightweight, Liquid Hydrogen Tank: Evaporation & Condensation at a Liquid/Vapor Interface

Science.gov (United States)

Stewart, Mark E. M.

2017-01-01

This paper presents an analysis and simulation of evaporation and condensation at a motionless liquid/vapor interface. A 1-D model equation, emphasizing heat and mass transfer at the interface, is solved in two ways, and incorporated into a subgrid interface model within a CFD simulation. Simulation predictions are compared with experimental data from the CPST Engineering Design Unit tank, a cryogenic fluid management test tank in 1-g. The numerical challenge here is the physics of the liquid/vapor interface; pressurizing the ullage heats it by several degrees, and sets up an interfacial temperature gradient that transfers heat to the liquid phase-the rate limiting step of condensation is heat conducted through the liquid and vapor. This physics occurs in thin thermal layers O(1 mm) on either side of the interface which is resolved by the subgrid interface model. An accommodation coefficient of 1.0 is used in the simulations which is consistent with theory and measurements. This model is predictive of evaporation/condensation rates, that is, there is no parameter tuning.

Molecular simulation of steady-state evaporation and condensation in the presence of a non-condensable gas

Science.gov (United States)

Liang, Zhi; Keblinski, Pawel

2018-02-01

Using molecular dynamics simulations, we study evaporation and condensation of fluid Ar in the presence of a non-condensable Ne gas in a nanochannel. The evaporation and condensation are driven by the temperature difference, ΔTL, between the evaporating and condensing liquid surfaces. The steady-state evaporation and condensation fluxes (JMD) are also affected by the Ne concentration, ρNe, and the nanochannel length. We find that across a wide range of ΔTL and ρNe, JMD is in good agreement with the prediction from Stefan's law and from Schrage relationships. Furthermore, for ΔTL less than ˜20% of the absolute average temperature, we find that both steady-state heat and mass fluxes are proportional to ΔTL. This allows us to determine the interfacial resistance to the heat and mass transfer and compare it with the corresponding resistances in the gas phase. In this context, we derive an analytical expression for the effective thermal conductivity of the gas region in the nanochannel and the mass transport interfacial resistance equivalent length, i.e., the length of the nanochannel for which the resistance to the mass flow is the same as the interfacial resistance to the mass flow.

Teaching at the edge of knowledge: Non-equilibrium statistical physics

Science.gov (United States)

Schmittmann, Beate

2007-03-01

As physicists become increasingly interested in biological problems, we frequently find ourselves confronted with complex open systems, involving many interacting constituents and characterized by non-vanishing fluxes of mass or energy. Faced with the task of predicting macroscopic behaviors from microscopic information for these non-equilibrium systems, the familiar Gibbs-Boltzmann framework fails. The development of a comprehensive theoretical characterization of non-equilibrium behavior is one of the key challenges of modern condensed matter physics. In its absence, several approaches have been developed, from master equations to thermostatted molecular dynamics, which provide key insights into the rich and often surprising phenomenology of systems far from equilibrium. In my talk, I will address some of these methods, selecting those that are most relevant for a broad range of interdisciplinary problems from biology to traffic, finance, and sociology. The ``portability'' of these methods makes them valuable for graduate students from a variety of disciplines. To illustrate how different methods can complement each other when probing a problem from, e.g., the life sciences, I will discuss some recent attempts at modeling translation, i.e., the process by which the genetic information encoded on an mRNA is translated into the corresponding protein.

Quaternary isobaric (vapor + liquid + liquid) equilibrium and (vapor + liquid) equilibrium for the system (water + ethanol + cyclohexane + heptane) at 101.3 kPa

International Nuclear Information System (INIS)

Pequenin, Ana; Asensi, Juan Carlos; Gomis, Vicente

2011-01-01

Highlights: → Water-ethanol-cyclohexane-heptane and water-cyclohexane-heptane isobaric VLLE. → Isobaric experimental data were determined at 101.3 kPa. → A dynamic recirculating still with an ultrasonic homogenizer was used. → The quaternary system does not present quaternary azeotropes. - Abstract: Experimental isobaric (vapor + liquid + liquid) and (vapor + liquid) equilibrium data for the ternary system {water (1) + cyclohexane (2) + heptane (3)} and the quaternary system {water (1) + ethanol (2) + cyclohexane (3) + heptane (4)} were measured at 101.3 kPa. An all-glass, dynamic recirculating still equipped with an ultrasonic homogenizer was used to determine the VLLE. The results obtained show that the system does not present quaternary azeotropes. The point-by-point method by Wisniak for testing the thermodynamic consistency of isobaric measurements was used to test the equilibrium data.

(Liquid + liquid) equilibrium data for the ternary systems (cycloalkane + ethylbenzene + 1-ethyl-3-methylimidazolim ethylsulfate) at T = 298.15 K and atmospheric pressure

International Nuclear Information System (INIS)

Gonzalez, Emilio J.; Calvar, Noelia; Dominguez, Irene; Dominguez, Angeles

2011-01-01

Research highlights: → [EMim][ESO 4 ] was studied as solvent to extract ethylbenzene from cycloalkanes. → (Liquid + liquid) equilibrium data were measured at 298.15K and atmospheric pressure. → Selectivity and solute distribution ratio were obtained and compared with literature. → Experimental data were satisfactorily correlated using NRTL and UNIQUAC models. → [EMim][ESO 4 ] can be used as solvent for the studied (liquid + liquid) extraction. - Abstract: In this paper, (liquid + liquid) equilibrium (LLE) data for the ternary systems (cyclohexane, or cyclooctane, or methylcyclohexane + ethylbenzene + 1-ethyl-3-methylimidazolium ethylsulfate) have been determined experimentally at T = 298.15 K and atmospheric pressure. The solubility curves and the tie-line compositions of the conjugate phases were obtained by means of density. The degree of consistency of the tie-lines was tested using the Othmer-Tobias equation, and the Non-Random Two-Liquid (NRTL) and the Universal Quasi-Chemical (UNIQUAC) models were used to correlate the phase equilibrium in the systems. Selectivity and solute distribution ratio were evaluated for the immiscible region.

Variability of breath condensate pH may contribute to the better understanding of non-allergic seasonal respiratory diseases

Science.gov (United States)

Kullmann, Tamás; Szipőcs, Annamária

2017-09-01

The seasonal variability of certain non-allergic respiratory diseases is not clearly understood. Analysis of the breath condensate, the liquid that can be collected by breathing into a cold tube, has been proposed to bring closer to the understanding of airway pathologies. It has been assumed, that (1) airway lining fluid was a stable body liquid and (2) the breath condensate samples were representative of the airway lining fluid. Research was focussed on the identification of biomarkers indicative of respiratory pathologies. Despite 30 years of extended investigations breath condensate analysis has not gained any clinical implementation so far. The pH of the condensate is the characteristic that can be determined with the highest reproducibility. The present paper shows, that contrary to the initial assumptions, breath condensate is not a representative of the airway lining fluid, and the airway lining fluid is not a stable body liquid. Condensate pH shows baseline variability and it is influenced by drinking and by the ambient temperature. The changes in condensate pH are linked to changes in airway lining fluid pH. The variability of airway lining fluid pH may explain seasonal incidence of certain non-allergic respiratory diseases such as the catching of a common cold and the increased incidence of COPD exacerbations and exercise-induced bronchoconstriction in cold periods.

Uncertainty product of an out-of-equilibrium Bose-Einstein condensate

International Nuclear Information System (INIS)

Klaiman, S; Streltsov, A I; Alon, O E

2017-01-01

The variance and uncertainty product of the position and momentum many-particle operators of structureless bosons interacting by a long-range inter-particle interaction and trapped in a single-well potential are investigated. In the first example, of an out-of-equilibrium interaction-quench scenario, it is found that, despite the system being fully condensed, already when a fraction of a particle is depleted differences with respect to the mean-field quantities emerge. In the second example, of the pathway from condensation to fragmentation of the ground state, we find out that, although the cloud’s density broadens while the system’s fragments, the position variance actually decreases, the momentum variance increases, and the uncertainty product is not a monotonous function but has a maximum. Implication are briefly discussed. (paper)

Capillary Condensation of Liquid 4He in Aerogel on Cooling Through λ Point

International Nuclear Information System (INIS)

Miyashita, W.; Yoneyama, K.; Kato, H.; Nomura, R.; Okuda, Y.

2006-01-01

Capillary condensation of liquid 4He in silica aerogel with a 90% porosity was investigated visually. The initial condition of the experiment was such that liquid 4He was present in the sample cell but not in the aerogel. This situation was realized by introducing the liquid into the cell at a fast rate to avoid liquefaction in the aerogel. The free surface of the liquid rose up in the cell with filling and eventually reached the bottom of the aerogel. Then, the aerogel absorbed the liquid by capillary condensation. The height of the liquid in the aerogel rose with time t roughly as t1/2 in the normal fluid phase. This behavior was consistent with the Washburn model. When the system was cooled through the λ point during the condensation, the liquid height started to rise faster in the superfluid phase with a constant velocity of about 0.3 mm/sec. The dynamics of capillary condensation was strongly dependent on whether the liquid 4He was in the normal or the superfluid phase

Non-equilibrium synthesis of alloys using lasers

International Nuclear Information System (INIS)

Mazumder, J.; Choi, J.; Ribaudo, C.; Wang, A.; Kar, A.

1993-01-01

This paper discusses microstructure and properties of alloys, produced by laser alloying and cladding technique, for various applications. These include Fe-Cr-W-C alloys for wear resistance, Ni-Cr-Al-Hf alloys for high temperature oxidation resistance and Mg-Al alloys for corrosion resistance. Also a mathematical model will be presented for the prediction of the composition of the metastable phases produced by laser synthesis. Microstructure was characterized using various electron optical techniques such as Transmission Electron Microscopy (TEM), Scanning Electron Microscopy (SEM), Auger Electron Spectroscopy (AES) and Energy Dispersive X-Ray Analysis (EDAX). Wear properties were characterized by a line contact Block on Cylinder method. High temperature oxidation properties were characterized by using Perkin-Elmer Thermo-Gravimetric Analyzer (TGA) where dynamic weight change were monitored at 1,200 C. Corrosion properties were evaluated by a potentio-dynamic method using a computer controlled Potentiostat manufactured by EG ampersand G. A non-equilibrium M 6 C type carbide was found to be responsible for the improved wear resistance. Increased solid-solubility of Hf was found to be a major factor in improving the high temperature oxidation resistance of the Ni-Cr-Al-Hf alloys. Micro-Crystalline phases were observed in Mg-Al alloys. The rapid solidification was modeled using heat transfer in the liquid pool and the solid substrate and mass transfer in the liquid pool. Non-equilibrium partition coefficient was introduced through the boundary condition at the liquid-solid interface. A good correlation was observed between the prediction and the experimental data. 54 refs

Non-equilibrium phase transitions

CERN Document Server

Henkel, Malte; Lübeck, Sven

2009-01-01

This book describes two main classes of non-equilibrium phase-transitions: (a) static and dynamics of transitions into an absorbing state, and (b) dynamical scaling in far-from-equilibrium relaxation behaviour and ageing. The first volume begins with an introductory chapter which recalls the main concepts of phase-transitions, set for the convenience of the reader in an equilibrium context. The extension to non-equilibrium systems is made by using directed percolation as the main paradigm of absorbing phase transitions and in view of the richness of the known results an entire chapter is devoted to it, including a discussion of recent experimental results. Scaling theories and a large set of both numerical and analytical methods for the study of non-equilibrium phase transitions are thoroughly discussed. The techniques used for directed percolation are then extended to other universality classes and many important results on model parameters are provided for easy reference.

Shot noise enhancement from non-equilibrium plasmons in Luttinger liquid junctions

International Nuclear Information System (INIS)

Kim, Jaeuk U; Kinaret, Jari M; Choi, Mahn-Soo

2005-01-01

We consider a quantum wire double junction system with each wire segment described by a spinless Luttinger model, and study theoretically shot noise in this system in the sequential tunnelling regime. We find that the non-equilibrium plasmonic excitations in the central wire segment give rise to qualitatively different behaviour compared to the case with equilibrium plasmons. In particular, shot noise is greatly enhanced by them, and exceeds the Poisson limit. We show that the enhancement can be explained by the emergence of several current-carrying processes, and that the effect disappears if the channels effectively collapse to one because of fast plasmon relaxation processes, for example

Thermodynamic chemical energy transfer mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium chemical reactions

International Nuclear Information System (INIS)

Roh, Heui-Seol

2015-01-01

Chemical energy transfer mechanisms at finite temperature are explored by a chemical energy transfer theory which is capable of investigating various chemical mechanisms of non-equilibrium, quasi-equilibrium, and equilibrium. Gibbs energy fluxes are obtained as a function of chemical potential, time, and displacement. Diffusion, convection, internal convection, and internal equilibrium chemical energy fluxes are demonstrated. The theory reveals that there are chemical energy flux gaps and broken discrete symmetries at the activation chemical potential, time, and displacement. The statistical, thermodynamic theory is the unification of diffusion and internal convection chemical reactions which reduces to the non-equilibrium generalization beyond the quasi-equilibrium theories of migration and diffusion processes. The relationship between kinetic theories of chemical and electrochemical reactions is also explored. The theory is applied to explore non-equilibrium chemical reactions as an illustration. Three variable separation constants indicate particle number constants and play key roles in describing the distinct chemical reaction mechanisms. The kinetics of chemical energy transfer accounts for the four control mechanisms of chemical reactions such as activation, concentration, transition, and film chemical reactions. - Highlights: • Chemical energy transfer theory is proposed for non-, quasi-, and equilibrium. • Gibbs energy fluxes are expressed by chemical potential, time, and displacement. • Relationship between chemical and electrochemical reactions is discussed. • Theory is applied to explore nonequilibrium energy transfer in chemical reactions. • Kinetics of non-equilibrium chemical reactions shows the four control mechanisms

Open problems in non-equilibrium physics

International Nuclear Information System (INIS)

Kusnezov, D.

1997-01-01

The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions

Open problems in non-equilibrium physics

Energy Technology Data Exchange (ETDEWEB)

Kusnezov, D.

1997-09-22

The report contains viewgraphs on the following: approaches to non-equilibrium statistical mechanics; classical and quantum processes in chaotic environments; classical fields in non-equilibrium situations: real time dynamics at finite temperature; and phase transitions in non-equilibrium conditions.

Nonflat equilibrium liquid shapes on flat surfaces.

Science.gov (United States)

Starov, Victor M

2004-01-15

The hydrostatic pressure in thin liquid layers differs from the pressure in the ambient air. This difference is caused by the actions of surface forces and capillary pressure. The manifestation of the surface force action is the disjoining pressure, which has a very special S-shaped form in the case of partial wetting (aqueous thin films and thin films of aqueous electrolyte and surfactant solutions, both free films and films on solid substrates). In thin flat liquid films the disjoining pressure acts alone and determines their thickness. However, if the film surface is curved then both the disjoining and the capillary pressures act simultaneously. In the case of partial wetting their simultaneous action results in the existence of nonflat equilibrium liquid shapes. It is shown that in the case of S-shaped disjoining pressure isotherm microdrops, microdepressions, and equilibrium periodic films exist on flat solid substrates. Criteria are found for both the existence and the stability of these nonflat equilibrium liquid shapes. It is shown that a transition from thick films to thinner films can go via intermediate nonflat states, microdepressions and periodic films, which both can be more stable than flat films within some range of hydrostatic pressure. Experimental investigations of shapes of the predicted nonflat layers can open new possibilities of determination of disjoining pressure in the range of thickness in which flat films are unstable.

Study on condensation of biomass pyrolysis gas by spray bio-oil droplets

Energy Technology Data Exchange (ETDEWEB)

Xie, Kun; Cheng, Wen-Long [University of Science and Technology of China (China)], email: wlcheng@ustc.edu.cn; Chen, Jing [Anhui Electric Power Design Institute (China); Shi, Wen-Jing [Anhui Heli Co., Ltd (China)

2011-07-01

This is a study of bio-oil generated by fast pyrolysis; a biomass feedstock is heated to pyrolyze at a rapid rate, the gas pyrolyzed is then condensed rapidly. The interesting result is a potential alternative fuel oil. An analysis was made of the effects of the initial pyrolysis gas temperatures, the initial bio-oil droplets temperatures and diameters, and the flow ratio of the gas and the liquid droplets on the heat and mass transfer between the gas and the liquid droplets. A few criterion equations were achieved with respect to the spray condenser. This paper established the gas-liquid phase equilibrium of an aqueous multi-composition system and the spray condensation model coupling heat and mass transfer. Model calculation and analysis showed that: spray condensation can effectively cool the high-temperature pyrolysis gas quickly; with gas liquid flowing, mass transfer rate reduces; and the relationship of gas and liquid flow ratio can achieve good accuracy.

Thermophysical properties of biodiesel and related systems: (Liquid + liquid) equilibrium data for castor oil biodiesel

International Nuclear Information System (INIS)

Mazutti, Marcio A.; Voll, Fernando A.P.; Cardozo-Filho, Lúcio; Corazza, Marcos L.; Lanza, Marcelo; Priamo, Wagner L.; Oliveira, J. Vladimir

2013-01-01

Highlights: ► (Liquid + liquid) equilibrium data for multicomponent castor oil FAME and FAEE castor oil. ► Tie-lines and solubility curves (binodal) by cloud-point method for FAME and FAEE systems. ► Experimental data correlated using the UNIQUAC model. -- Abstract: This work reports new liquid–liquid solubility values (binodal curves) as well as (liquid + liquid) equilibrium data for, ternary and quaternary systems containing fatty acid methyl esters (FAME) and fatty acid ethyl esters (FAEE) from castor oil, water, glycerol, methanol and anhydrous ethanol at T = (303.15, 318.15, and 333.15) K. Solubility curves (binodal) were also obtained by the cloud-point method for binary systems containing FAME, FAEE, water, or glycerol. All results obtained can be considered of good quality. The experimental values were correlated using the UNIQUAC model, whose results presented good performance and satisfactory fitting of equilibrium values

The equilibrium hydrogen pressure-temperature diagram for the liquid sodium-hydrogen-oxygen system

International Nuclear Information System (INIS)

Knights, C.F.; Whittingham, A.C.

1982-01-01

The underlying equilibria in the sodium-hydrogen-oxygen system are presented in the form of a completmentary hydrogen equilibrium pressure-temperature diagram, constructed by using published data and supplemented by experimental measurements of hydrogen equilibrium pressures over condensed phases in the system. Possible applications of the equilibrium pressure-temperature phase diagram limitations regarding its use are outlined

Thermophysical properties of biodiesel and related systems: (Liquid + liquid) equilibrium data for soybean biodiesel

International Nuclear Information System (INIS)

Mazutti, Marcio A.; Voll, Fernando A.P.; Cardozo-Filho, Lúcio; Corazza, Marcos L.; Lanza, Marcelo; Priamo, Wagner L.; Oliveira, J. Vladimir

2013-01-01

Highlights: ► (Liquid + liquid) equilibrium data for the systems of biodiesel production. ► LLE data for multicomponent FAME and FAEE from (303.15 to 333.15) K. ► Experimental data correlated using the UNIQUAC model. -- Abstract: This work reports (liquid + liquid) equilibrium (LLE) data for the systems of interest in soybean biodiesel production. Numerical data for LLE were obtained for binary, ternary and quaternary systems comprising fatty acid methyl esters (FAME) and fatty acid ethyl esters (FAEE) from soybean oil, water, glycerol, methanol, and ethanol at temperatures of (303.15, 318.15, and 333.15) K. Quantification of compounds in equilibrium in both phases was determined by analytical methods whereas solubility curves (binodal) were obtained by the cloud-point method. For all systems investigated, good alignments were obtained between phase compositions and the initial as well as overall compositions hence indicating low deviations from the mass balance. Experimental results were correlated using the UNIQUAC model with satisfactory agreement between experiment and theory

On the definition of equilibrium and non-equilibrium states in dynamical systems

OpenAIRE

Akimoto, Takuma

2008-01-01

We propose a definition of equilibrium and non-equilibrium states in dynamical systems on the basis of the time average. We show numerically that there exists a non-equilibrium non-stationary state in the coupled modified Bernoulli map lattice.

Experimental measurement and prediction of (liquid + liquid + liquid) equilibrium for the system (n-hexadecane + water + triacetin)

International Nuclear Information System (INIS)

Revellame, Emmanuel D.; Holmes, William E.; Hernandez, Rafael; French, W. Todd; Forks, Allison; Ashe, Taylor; Estévez, L. Antonio

2016-01-01

Highlights: • Phase diagram for the system n-hexadecane + water + triacetin was established at T = 296.15 K and atmospheric pressure (0.1 MPa). • Both NRTL and UNIQUAC activity coefficient model adequately predicts the LLLE of the ternary system. • The phase equilibrium of the system is predominantly dictated by enthalpic contributions to the activity coefficient. - Abstract: The phase diagram for the ternary system containing (n-hexadecane + water + triacetin) was obtained experimentally at T = 296.15 K and ambient pressure. Results show that this system is of Type 3 according to the Treybal classification of ternary system. NRTL and UNIQUAC interaction parameters were calculated from binary phase equilibrium values and were used to predict the (liquid + liquid + liquid) equilibrium (LLLE) region. Results indicated that both NRTL and UNIQUAC could predict the LLLE region of the system with similar precision as indicated by the comparable standard deviations. This indicates that the enthalpic contribution to the activity coefficient is predominant and entropic contributions can be neglected.

Non equilibrium atomic processes and plasma spectroscopy

International Nuclear Information System (INIS)

Kato, Takako

2003-01-01

Along with the technical progress in plasma spectroscopy, non equilibrium ionization processes have been recently observed. We study non local thermodynamic equilibrium and non ionization equilibrium for various kinds of plasmas. Specifically we discuss non equilibrium atomic processes in magnetically confined plasmas, solar flares and laser produced plasmas using a collisional radiative model based on plasma spectroscopic data. (author)

Field synergy characteristics in condensation heat transfer with non-condensable gas over a horizontal tube

Directory of Open Access Journals (Sweden)

Junxia Zhang

2017-05-01

Full Text Available Field synergy characteristics in condensation heat transfer with non-condensable gas (NCG over a horizontal tube were numerically simulated. Consequently, synergy angles between velocity and pressure or temperature gradient fields, gas film layer thickness, and induced velocity and shear stress on gas–liquid interface were obtained. Results show that synergy angles between velocity and temperature gradient fields are within 73.2°–88.7° and ascend slightly with the increment in mainstream velocity and that the synergy is poor. However, the synergy angle between velocity and pressure gradient fields decreases intensively with the increase in mainstream velocity at θ ≤ 30°, thereby improving the pressure loss. As NCG mass fraction increases, the gas film layer thickness enlarges and the induced velocity and shear stress on gas–liquid interface decreases. The synergy angles between velocity and temperature gradient fields increase, and the synergy angles between velocity and pressure gradient fields change at θ = 70°, decrease at θ 70°. When the horizontal tube circumference angle increases, the synergy angles between velocity and temperature or pressure gradient fields decrease, the synergy between velocity and pressure fields enhances, and the synergy between velocity and temperature fields degrades.

Phase equilibrium study of the binary systems (N-hexyl-3-methylpyridinium tosylate ionic liquid + water, or organic solvent)

International Nuclear Information System (INIS)

Domanska, Urszula; Krolikowski, Marek

2011-01-01

Highlights: → Synthesis, DSC, and measurements of phase equilibrium of N-hexyl-3-methylpyridinium tosylate. → Solvents used: water, alcohols, benzene, alkylbenzenes, and aliphatic hydrocarbons. → Correlation with UNIQUAC, Wilson and NRTL models. → Comparison with different tosylate-based ILs. - Abstract: The (solid + liquid) phase equilibrium (SLE) and (liquid + liquid) phase equilibrium (LLE) for the binary systems ionic liquid (IL) N-hexyl-3-methylpyridinium tosylate (p-toluenesulfonate), {([HM 3 Py][TOS] + water, or an alcohol (1-butanol, or 1-hexanol, or 1-octanol, or 1-decanol), or an aromatic hydrocarbon (benzene, toluene, or ethylbenzene, or propylbenzene), or an alkane (n-hexane, n-heptane, n-octane)} have been determined at ambient pressure using a dynamic method. Simple eutectic systems with complete miscibility in the liquid phase were observed for the systems involving water and alcohols. The phase equilibrium diagrams of IL and aromatic or aliphatic hydrocarbons exhibit eutectic systems with immiscibility in the liquid phase with an upper critical solution temperature as for most of the ILs. The correlation of the experimental data has been carried out using the UNIQUAC, Wilson and the non-random two liquid (NRTL) correlation equations. The results reported here have been compared with analogous phase diagrams reported by our group previously for systems containing the tosylate-based ILs.

Shape characteristics of equilibrium and non-equilibrium fractal clusters.

Science.gov (United States)

Mansfield, Marc L; Douglas, Jack F

2013-07-28

It is often difficult in practice to discriminate between equilibrium and non-equilibrium nanoparticle or colloidal-particle clusters that form through aggregation in gas or solution phases. Scattering studies often permit the determination of an apparent fractal dimension, but both equilibrium and non-equilibrium clusters in three dimensions frequently have fractal dimensions near 2, so that it is often not possible to discriminate on the basis of this geometrical property. A survey of the anisotropy of a wide variety of polymeric structures (linear and ring random and self-avoiding random walks, percolation clusters, lattice animals, diffusion-limited aggregates, and Eden clusters) based on the principal components of both the radius of gyration and electric polarizability tensor indicates, perhaps counter-intuitively, that self-similar equilibrium clusters tend to be intrinsically anisotropic at all sizes, while non-equilibrium processes such as diffusion-limited aggregation or Eden growth tend to be isotropic in the large-mass limit, providing a potential means of discriminating these clusters experimentally if anisotropy could be determined along with the fractal dimension. Equilibrium polymer structures, such as flexible polymer chains, are normally self-similar due to the existence of only a single relevant length scale, and are thus anisotropic at all length scales, while non-equilibrium polymer structures that grow irreversibly in time eventually become isotropic if there is no difference in the average growth rates in different directions. There is apparently no proof of these general trends and little theoretical insight into what controls the universal anisotropy in equilibrium polymer structures of various kinds. This is an obvious topic of theoretical investigation, as well as a matter of practical interest. To address this general problem, we consider two experimentally accessible ratios, one between the hydrodynamic and gyration radii, the other

Physical phenomena in a low-temperature non-equilibrium plasma and in MHD generators with non-equilibrium conductivity

International Nuclear Information System (INIS)

Velikhov, E.P.; Golubev, V.S.; Dykhne, A.M.

1976-01-01

The paper assesses the position in 1975 of theoretical and experimental work on the physics of a magnetohydrodynamic generator with non-equilibrium plasma conductivity. This research started at the beginning of the 1960s; as work on the properties of thermally non-equilibrium plasma in magnetic fields and also in MHD generator ducts progressed, a number of phenomena were discovered and investigated that had either been unknown in plasma physics or had remained uninvestigated until that time: ionization instability and ionization turbulence of plasma in a magnetic field, acoustic instability of a plasma with anisotropic conductivity, the non-equilibrium ionization wave and the energy balance of a non-equilibrium plasma. At the same time, it was discovered what physical requirements an MHD generator with non-equilibrium conductivity must satisfy to achieve high efficiency in converting the thermal or kinetic energy of the gas flow into electric energy. The experiments on MHD power generation with thermally non-equilibrium plasma carried out up to 1975 indicated that it should be possible to achieve conversion efficiencies of up to 20-30%. (author)

Physical property, phase equilibrium, distillation. Measurement and prediction of vapor-liquid and liquid-liquid equilibria; Bussei / heiko / joryu. Kieki, ekieki heiko no sokutei to suisan

Energy Technology Data Exchange (ETDEWEB)

Tochigi, K. [Nihon Univ., Tokyo (Japan)

1998-08-05

The data on vapor-liquid equilibrium are basic data indispensable to the designing of a distillation process. The stage required for separation depends greatly upon the x-y curve, and the existence/nonexistence of an azeotropic point is also an important item to be checked. This paper describes the measurement of vapor-liquid equilibrium and liquid-liquid equilibrium, and then introduces reliable data on vapor-liquid equilibrium and parameters of an activity coefficient formula. For the prediction of vapor-liquid equilibrium, the ASOG, UNIFAC, and modified NIFAC, all being group contributive methods are utilized. The differences between these group contributive methods are based on the differences between the contributive items based on the differences in size of molecules influencing the activity coefficients and the expression of the group activity coefficient formula. The applicable number of groups of the ASOG is 43, while that of groups of the UNIFAC is 50. The modified UNIFAC covers 43 groups. The prediction of liquid-liquid equilibrium by using a group contributive method has little progressed since the of the results of the study of Magnussen et al. using the UNIFAC. 12 refs., 8 figs., 1 tab.

Non-equilibrium spectroscopy of high-Tc superconductors

International Nuclear Information System (INIS)

Krasnov, V M

2009-01-01

In superconductors, recombination of two non-equilibrium quasiparticles into a Cooper pair results in emission of excitation that mediates superconductivity. This is the basis of the proposed new type of 'non-equilibrium' spectroscopy of high T c superconductors, which may open a possibility for direct and unambiguous determination of the coupling mechanism of high T c superconductivity. In case of low T c superconductors, the feasibility of such the non-equilibrium spectroscopy was demonstrated in classical phonon generation-detection experiments almost four decades ago. Recently it was demonstrated that a similar technique can be used for high T c superconductors, using natural intrinsic Josephson junctions both for injection of non-equilibrium quasiparticles and for detection of the non-equilibrium radiation. Here I analyze theoretically non-equilibrium phenomena in intrinsic Josephson junctions. It is shown that extreme non-equilibrium state can be achieved at bias equal to integer number of the gap voltage, which can lead to laser-like emission from the stack. I argue that identification of the boson type, constituting this non-equilibrium radiation would unambiguously reveal the coupling mechanism of high Tc superconductors.

Non-linear quantum critical dynamics and fluctuation-dissipation ratios far from equilibrium

Energy Technology Data Exchange (ETDEWEB)

Zamani, Farzaneh [Max Planck Institute for the Physics of Complex Systems, Nöthnitzer Str. 38, 01187 Dresden (Germany); Max Planck Institute for Chemical Physics of Solids, Nöthnitzer Str. 40, 01187 Dresden (Germany); Ribeiro, Pedro [CeFEMA, Instituto Superior Tcnico, Universidade de Lisboa, Av. Rovisco Pais, 1049-001 Lisboa (Portugal); Russian Quantum Center, Novaya Street 100 A, Skolkovo, Moscow Area, 143025 (Russian Federation); Kirchner, Stefan, E-mail: stefan.kirchner@correlated-matter.com [Center for Correlated Matter, Zhejiang University, Hangzhou, Zhejiang 310058 (China)

2016-02-15

Non-thermal correlations of strongly correlated electron systems and the far-from-equilibrium properties of phases of condensed matter have become a topical research area. Here, an overview of the non-linear dynamics found near continuous zero-temperature phase transitions within the context of effective temperatures is presented. In particular, we focus on models of critical Kondo destruction. Such a quantum critical state, where Kondo screening is destroyed in a critical fashion, is realized in a number of rare earth intermetallics. This raises the possibility of experimentally testing for the existence of fluctuation-dissipation relations far from equilibrium in terms of effective temperatures. Finally, we present an analysis of a non-interacting, critical reference system, the pseudogap resonant level model, in terms of effective temperatures and contrast these results with those obtained near interacting quantum critical points. - Highlights: • Critical Kondo destruction explains the unusual properties of quantum critical heavy fermion compounds. • We review the concept of effective temperatures in models of critical Kondo destruction. • We compare effective temperatures found near non-interacting and fully interacting fixed points. • A comparison with non-interacting quantum impurity models is presented.

Bridging scales from molecular simulations to classical thermodynamics: density functional theory of capillary condensation in nanopores

International Nuclear Information System (INIS)

Neimark, Alexander V; Ravikovitch, Peter I; Vishnyakov, Aleksey

2003-01-01

With the example of the capillary condensation of Lennard-Jones fluid in nanopores ranging from 1 to 10 nm, we show that the non-local density functional theory (NLDFT) with properly chosen parameters of intermolecular interactions bridges the scale gap from molecular simulations to macroscopic thermodynamics. On the one hand, NLDFT correctly approximates the results of Monte Carlo simulations (shift of vapour-liquid equilibrium, spinodals, density profiles, adsorption isotherms) for pores wider than about 2 nm. On the other hand, NLDFT smoothly merges (above 7-10 nm) with the Derjaguin-Broekhoff-de Boer equations which represent augmented Laplace-Kelvin equations of capillary condensation and desorption

Experimental investigation of condensation and mixing during venting of a steam / non-condensable gas mixture into a pressure suppression pool

Energy Technology Data Exchange (ETDEWEB)

De Walsche, C.; Cachard, F. de

2000-07-01

Experiments have been performed in the LINX facility to investigate condensation and mixing phenomena in pressure Suppression Pools (SPs), in the context of the European Simplified Boiling Water Reactor (ESBWR) study. As a contribution to the TEPSS project of the 4th European Framework Programme, eight medium-scale, separate-effect tests were carried out in which constant steam/air flow rates were injected below the surface of a two-metre diameter water pool, maintained at constant pressure, through a large downward vent. The vessel pressure was regulated, the pool temperature rising until equilibrium conditions with the incoming gas were reached. The SP temperature distribution was measured, as well as the inlet and outlet gas flow rates, and the overall condensation rate was estimated using mass and heat balances. The test matrix was based on steam mass floret and air mass fraction of the injected gas, the vent immersion depth, and the vessel pressure. Overall, the condensation was shown to be efficient for all tests performed, even for high non-condensable gas concentrations of the injected gas. Thermal stratification above the vent outlet was shown to be moderate. The tests performed allowed a better understanding to be gained of the mechanisms of condensation and mixing in the SP and Wetwell, and results were incorporated into an ORACLE database, to be used for further model development. (authors)

Diquark condensate and quark interaction with instanton liquid

International Nuclear Information System (INIS)

Zinov'ev, G.M.; Molodtsov, S.V.

2003-01-01

The interaction of light quarks and instanton liquid is analyzed at finite density of quark/baryon matter and in the phase of nonzero values of diquark (color) condensate. It is shown that instanton liquid perturbation produced by such an interaction results in an essential increase of the critical value of quark chemical potential μ c which provokes the perceptible increase of quark matter density around the expected onset of the color superconductivity phase [ru

Non-equilibrium dynamics from RPMD and CMD.

Science.gov (United States)

Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

2016-11-28

We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

Generalized modeling of multi-component vaporization/condensation phenomena for multi-phase-flow analysis

International Nuclear Information System (INIS)

Morita, K.; Fukuda, K.; Tobita, Y.; Kondo, Sa.; Suzuki, T.; Maschek, W.

2003-01-01

A new multi-component vaporization/condensation (V/C) model was developed to provide a generalized model for safety analysis codes of liquid metal cooled reactors (LMRs). These codes simulate thermal-hydraulic phenomena of multi-phase, multi-component flows, which is essential to investigate core disruptive accidents of LMRs such as fast breeder reactors and accelerator driven systems. The developed model characterizes the V/C processes associated with phase transition by employing heat transfer and mass-diffusion limited models for analyses of relatively short-time-scale multi-phase, multi-component hydraulic problems, among which vaporization and condensation, or simultaneous heat and mass transfer, play an important role. The heat transfer limited model describes the non-equilibrium phase transition processes occurring at interfaces, while the mass-diffusion limited model is employed to represent effects of non-condensable gases and multi-component mixture on V/C processes. Verification of the model and method employed in the multi-component V/C model of a multi-phase flow code was performed successfully by analyzing a series of multi-bubble condensation experiments. The applicability of the model to the accident analysis of LMRs is also discussed by comparison between steam and metallic vapor systems. (orig.)

A phase-field model for non-equilibrium solidification of intermetallics

International Nuclear Information System (INIS)

Assadi, H.

2007-01-01

Intermetallics may exhibit unique solidification behaviour-including slow growth kinetics, anomalous partitioning and formation of unusual growth morphologies-because of departure from local equilibrium. A phase-field model is developed and used to illustrate these non-equilibrium effects in solidification of a prototype B2 intermetallic phase. The model takes sublattice compositions as primary field variables, from which chemical long-range order is derived. The diffusive reactions between the two sublattices, and those between each sublattice and the liquid phase are taken as 'internal' kinetic processes, which take place within control volumes of the system. The model can thus capture solute and disorder trapping effects, which are consistent-over a wide range of the solid/liquid interface thickness-with the predictions of the sharp-interface theory of solute and disorder trapping. The present model can also take account of solid-state ordering and thus illustrate the effects of chemical ordering on microstructure formation and crystal growth kinetics

Non-equilibrium coherence dynamics in one-dimensional Bose gases.

Science.gov (United States)

Hofferberth, S; Lesanovsky, I; Fischer, B; Schumm, T; Schmiedmayer, J

2007-09-20

Low-dimensional systems provide beautiful examples of many-body quantum physics. For one-dimensional (1D) systems, the Luttinger liquid approach provides insight into universal properties. Much is known of the equilibrium state, both in the weakly and strongly interacting regimes. However, it remains a challenge to probe the dynamics by which this equilibrium state is reached. Here we present a direct experimental study of the coherence dynamics in both isolated and coupled degenerate 1D Bose gases. Dynamic splitting is used to create two 1D systems in a phase coherent state. The time evolution of the coherence is revealed through local phase shifts of the subsequently observed interference patterns. Completely isolated 1D Bose gases are observed to exhibit universal sub-exponential coherence decay, in excellent agreement with recent predictions. For two coupled 1D Bose gases, the coherence factor is observed to approach a non-zero equilibrium value, as predicted by a Bogoliubov approach. This coupled-system decay to finite coherence is the matter wave equivalent of phase-locking two lasers by injection. The non-equilibrium dynamics of superfluids has an important role in a wide range of physical systems, such as superconductors, quantum Hall systems, superfluid helium and spin systems. Our experiments studying coherence dynamics show that 1D Bose gases are ideally suited for investigating this class of phenomena.

Critical pressure of non-equilibrium two-phase critical flow

Energy Technology Data Exchange (ETDEWEB)

Minzer, U [Israel Electric Corp. Ltd., Haifa (Israel)

1996-12-01

Critical pressure is defined as the pressure existing at the exit edge of the piping, when it remains constant despite a decrease in the back. According to this definition the critical pressure is larger than the back pressure and for two-phase conditions below saturation pressure. The two-phase critical pressure has a major influence on the two-phase critical flow characteristics. Therefore it is of High significance in calculations of critical mass flux and critical depressurization rate, which are important in the fields of Nuclear Reactor Safety and Industrial Safety. At the Nuclear Reactor Safety field is useful for estimations of the Reactor Cooling System depressurization, the core coolant level, and the pressure build-up in the containment. In the Industrial Safety field it is helpful for estimating the leakage rate of toxic gases Tom liquefied gas pressure vessels, depressurization of pressure vessels, and explosion conditions due to liquefied gas release. For physical description of non-equilibrium two-phase critical flow it would be convenient to divide the flow into two stages. The first stage is the flow of subcooled liquid at constant temperature and uniform pressure drop (i.e., the case of incompressible fluid and uniform piping cross section). The rapid flow of the liquid causes a delay in the boiling of the liquid, which begins to boil below saturation pressure, at thermal non-equilibrium. The boiling is the beginning of the second stage, characterized by a sharp increase of the pressure drop. The liquid temperature on the second stage is almost constant because most of the energy for vaporization is supplied from the large pressure drop The present work will focus on the two-phase critical pressure of water, since water serves as coolant in the vast majority of nuclear power reactors throughout the world. (author).

Critical pressure of non-equilibrium two-phase critical flow

International Nuclear Information System (INIS)

Minzer, U.

1996-01-01

Critical pressure is defined as the pressure existing at the exit edge of the piping, when it remains constant despite a decrease in the back. According to this definition the critical pressure is larger than the back pressure and for two-phase conditions below saturation pressure. The two-phase critical pressure has a major influence on the two-phase critical flow characteristics. Therefore it is of High significance in calculations of critical mass flux and critical depressurization rate, which are important in the fields of Nuclear Reactor Safety and Industrial Safety. At the Nuclear Reactor Safety field is useful for estimations of the Reactor Cooling System depressurization, the core coolant level, and the pressure build-up in the containment. In the Industrial Safety field it is helpful for estimating the leakage rate of toxic gases Tom liquefied gas pressure vessels, depressurization of pressure vessels, and explosion conditions due to liquefied gas release. For physical description of non-equilibrium two-phase critical flow it would be convenient to divide the flow into two stages. The first stage is the flow of subcooled liquid at constant temperature and uniform pressure drop (i.e., the case of incompressible fluid and uniform piping cross section). The rapid flow of the liquid causes a delay in the boiling of the liquid, which begins to boil below saturation pressure, at thermal non-equilibrium. The boiling is the beginning of the second stage, characterized by a sharp increase of the pressure drop. The liquid temperature on the second stage is almost constant because most of the energy for vaporization is supplied from the large pressure drop The present work will focus on the two-phase critical pressure of water, since water serves as coolant in the vast majority of nuclear power reactors throughout the world. (author)

Nonideal plasmas as non-equilibrium media

International Nuclear Information System (INIS)

Morozov, I V; Norman, G E; Valuev, A A; Valuev, I A

2003-01-01

Various aspects of the collective behaviour of non-equilibrium nonideal plasmas are studied. The relaxation of kinetic energy to the equilibrium state is simulated by the molecular dynamics (MD) method for two-component non-degenerate strongly non-equilibrium plasmas. The initial non-exponential stage, its duration and the subsequent exponential stage of the relaxation process are studied for a wide range of ion charge, nonideality parameter and ion mass. A simulation model of the nonideal plasma excited by an electron beam is proposed. An approach is developed to calculate the dynamic structure factor in non-stationary conditions. Instability increment is obtained from MD simulations

Temperature dependence of the physical properties of Bose–Einstein condensed gases and liquids

International Nuclear Information System (INIS)

Mayers, J

2014-01-01

It is shown that in the presence of Bose–Einstein condensation (BEC) in any N particle system, the N particle Schrödinger wave functions of thermally occupied states are the sum of a ‘localized’ component and a ‘delocalized’ component, identical to the ground state wave function. It is shown that if N is sufficiently large, this implies that all physical properties of the system are the sum of two independent contributions from these two components. These results are used here to provide quantitative explanations of fundamental properties of BE condensed liquid 4 He, unexplained even qualitatively by existing theory; why BE condensed liquid 4 He is the only known physical system in which pair correlations between atomic positions reduce as it is cooled, why it is the only known liquid with sharp peaks in its dynamic structure factor, why the liquid expands with cooling and how the condensate fraction is related to the superfluid fraction. It is shown that these results also provide a relatively simple, physically transparent and quantitative explanation from first principles of macroscopic quantum effects. A new algorithm is given for the calculation of the time development of the macroscopic density of any BE condensed liquid or gas at any temperature. Unlike the Gross–Pitaevskii equation, this algorithm is valid for both strongly and weakly interacting systems. It is used here to show that macroscopic quantum interference fringes, observed between overlapping clouds of BE condensed atoms, are a necessary consequence of BEC and the N particle Schrödinger equation for the atoms in the clouds. It follows that the widely held view that these fringes are created by measurement is unnecessary. New, experimentally testable predictions are made of how the visibility of these fringes will vary with temperature. (paper)

Investigation of condensation implosion by changing configurations of water and steam inlets

International Nuclear Information System (INIS)

Seporaitis, Marijus; Pabarcius, Raimondas; Almenas, Kazys

2003-01-01

A previous paper (Seporaitis, 2002) presented experimental results, which showed that it is possible to induce condensation implosion events in a horizontal cylindrical pulser solely by varying the introduction rate of sub-cooled liquid. Interface disruption is triggered when an increasing liquid-vapor inter-face generates a growing condensation rate that leads to larger vapor flows. Vapor flow and condensation induced shear initiate surface waves and when these exceed a 'critical' growth rate complete interface disruption leading to a rapid condensation pulse. Although initial experimental success-generation of condensation implosion events in a controlled manner-was achieved it was determined that the range of the liquid introduction rate is fairly narrow. To avoid a high liquid heat up (negative factor for initiation of condensation implosion events) during it inducing into pulser and to expend range of the controlling variable the internal flow configurations in the further tests were used. The experimental studies presented in this paper have shown that trace amount of non-condensable gas have a larger effect on the initiation of a controlled condensation implosion event then was initially assumed. The influence of non-condensable gas is shown to be of an equivalent importance as the liquid side turbulence that is modulated by the rate of liquid introduction. (author)

Non-equilibrium dog-flea model

Science.gov (United States)

Ackerson, Bruce J.

2017-11-01

We develop the open dog-flea model to serve as a check of proposed non-equilibrium theories of statistical mechanics. The model is developed in detail. Then it is applied to four recent models for non-equilibrium statistical mechanics. Comparison of the dog-flea solution with these different models allows checking claims and giving a concrete example of the theoretical models.

Effective Purification of Biogas by Condensing-Liquid Membrane

Czech Academy of Sciences Publication Activity Database

Poloncarzová, Magda; Vejražka, Jiří; Veselý, Václav; Izák, Pavel

2010-01-01

Roč. 50, č. 3 (2010), s. 669-671 ISSN 1433-7851 R&D Projects: GA MPO FR-TI1/245 Institutional research plan: CEZ:AV0Z40720504 Keywords : biogas purification * condensing liquid * gas permeation Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 12.730, year: 2010

Non-equilibrium versus equilibrium emission of complex fragments from hot nuclei

International Nuclear Information System (INIS)

Viola, V.E.; Kwiatkowski, K.; Yennello, S.; Fields, D.E.

1989-01-01

The relative contributions of equilibrium and non-equilibrium mechanisms for intermediate-mass fragment emission have been deduced for Z=3-14 fragments formed in 3 He- and 14 N-induced reactions on Ag and Au targets. Complete inclusive excitation function measurements have been performed for 3 He projectiles from E/A=67 to 1,200 MeV and for 14 N from E/A=20 to 50 MeV. The data are consistent with a picture in which equilibrated emission is important at the lowest energies, but with increasing bombarding energy the cross sections are increasingly dominated by non-equilibrium processes. Non-equilibrium emission is also shown to be favored for light fragments relative to heavy fragments. These results are supported by coincidence studies of intermediate-mass fragments tagged by linear momentum transfer measurements

Implementation of non-condensable gases condensation suppression model into the WCOBRA/TRAC-TF2 LOCA safety evaluation code

Energy Technology Data Exchange (ETDEWEB)

Liao, J.; Cao, L.; Ohkawa, K.; Frepoli, C. [LOCA Integrated Services I, Westinghouse Electric Company, 1000 Westinghouse Drive, Cranberry Township, PA 16066 (United States)

2012-07-01

The non-condensable gases condensation suppression model is important for a realistic LOCA safety analysis code. A condensation suppression model for direct contact condensation was previously developed by Westinghouse using first principles. The model is believed to be an accurate description of the direct contact condensation process in the presence of non-condensable gases. The Westinghouse condensation suppression model is further revised by applying a more physical model. The revised condensation suppression model is thus implemented into the WCOBRA/TRAC-TF2 LOCA safety evaluation code for both 3-D module (COBRA-TF) and 1-D module (TRAC-PF1). Parametric study using the revised Westinghouse condensation suppression model is conducted. Additionally, the performance of non-condensable gases condensation suppression model is examined in the ACHILLES (ISP-25) separate effects test and LOFT L2-5 (ISP-13) integral effects test. (authors)

One dimensional Bosons: From Condensed Matter Systems to Ultracold Gases

OpenAIRE

Cazalilla, M. A.; Citro, R.; Giamarchi, T.; Orignac, E.; Rigol, M.

2011-01-01

The physics of one-dimensional interacting bosonic systems is reviewed. Beginning with results from exactly solvable models and computational approaches, the concept of bosonic Tomonaga-Luttinger liquids relevant for one-dimensional Bose fluids is introduced, and compared with Bose-Einstein condensates existing in dimensions higher than one. The effects of various perturbations on the Tomonaga-Luttinger liquid state are discussed as well as extensions to multicomponent and out of equilibrium ...

Thermophysical properties of biodiesel and related systems: (Liquid + liquid) equilibrium data for Jatropha curcas biodiesel

International Nuclear Information System (INIS)

Silva, Juliana R.F.; Mazutti, Marcio A.; Voll, Fernando A.P.; Cardozo-Filho, Lúcio; Corazza, Marcos L.; Lanza, Marcelo; Priamo, Wagner L.; Vladimir Oliveira, J.

2013-01-01

Highlights: ► (Liquid + liquid) equilibrium data for multicomponent Jatropha curcas FAME and FAEE. ► Tie-lines, solubility curves (binodal curves) with low deviations from mass balance. ► Experimental data correlated with the UNIQUAC model. -- Abstract: Reported in this study are (liquid + liquid) equilibrium data for binary, ternary, and quaternary systems formed by fatty acid methyl esters (FAME) and fatty acid ethyl esters (FAEE) of Jatropha curcas oil, water, glycerol, methanol, and ethanol at temperatures of (303.15, 318.15, and 333.15) K. In general, all the systems investigated resulted in good agreement between phase compositions of crunodes of tie-lines, solubility curves (binodal curves) and overall compositions, hence indicating low deviations from mass balance. Experimental results were correlated with the UNIQUAC model, showing low deviations among experimental and calculated values

Non-equilibrium synergistic effects in atmospheric pressure plasmas.

Science.gov (United States)

Guo, Heng; Zhang, Xiao-Ning; Chen, Jian; Li, He-Ping; Ostrikov, Kostya Ken

2018-03-19

Non-equilibrium is one of the important features of an atmospheric gas discharge plasma. It involves complicated physical-chemical processes and plays a key role in various actual plasma processing. In this report, a novel complete non-equilibrium model is developed to reveal the non-equilibrium synergistic effects for the atmospheric-pressure low-temperature plasmas (AP-LTPs). It combines a thermal-chemical non-equilibrium fluid model for the quasi-neutral plasma region and a simplified sheath model for the electrode sheath region. The free-burning argon arc is selected as a model system because both the electrical-thermal-chemical equilibrium and non-equilibrium regions are involved simultaneously in this arc plasma system. The modeling results indicate for the first time that it is the strong and synergistic interactions among the mass, momentum and energy transfer processes that determine the self-consistent non-equilibrium characteristics of the AP-LTPs. An energy transfer process related to the non-uniform spatial distributions of the electron-to-heavy-particle temperature ratio has also been discovered for the first time. It has a significant influence for self-consistently predicting the transition region between the "hot" and "cold" equilibrium regions of an AP-LTP system. The modeling results would provide an instructive guidance for predicting and possibly controlling the non-equilibrium particle-energy transportation process in various AP-LTPs in future.

Non-Equilibrium Thermodynamics of Self-Replicating Protocells

DEFF Research Database (Denmark)

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

2018-01-01

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

Fluctuation relations for equilibrium states with broken discrete or continuous symmetries

International Nuclear Information System (INIS)

Lacoste, D; Gaspard, P

2015-01-01

Isometric fluctuation relations are deduced for the fluctuations of the order parameter in equilibrium systems of condensed-matter physics with broken discrete or continuous symmetries. These relations are similar to their analogues obtained for non-equilibrium systems where the broken symmetry is time reversal. At equilibrium, these relations show that the ratio of the probabilities of opposite fluctuations goes exponentially with the symmetry-breaking external field and the magnitude of the fluctuations. These relations are applied to the Curie–Weiss, Heisenberg, and XY models of magnetism where the continuous rotational symmetry is broken, as well as to the q-state Potts model and the p-state clock model where discrete symmetries are broken. Broken symmetries are also considered in the anisotropic Curie–Weiss model. For infinite systems, the results are calculated using large-deviation theory. The relations are also applied to mean-field models of nematic liquid crystals where the order parameter is tensorial. Moreover, their extension to quantum systems is also deduced. (paper)

(Liquid + liquid) equilibrium of (dibutyl ether + methanol + water) at different temperatures

International Nuclear Information System (INIS)

Arce, Alberto; Rodriguez, Hector; Rodriguez, Oscar; Soto, Ana

2005-01-01

(Liquid + liquid) equilibrium data for the ternary system (dibutyl ether + methanol + water) were experimentally determined at T = (298.15, 308.15, and 318.15) K. The experimental results were correlated by means of the NRTL and UNIQUAC equations, the best results being achieved with the UNIQUAC equation, both for the individual correlations at each temperature and for the overall correlation considering all the three experimental data sets. The experimental tie-lines were also compared to the values predicted by the UNIFAC method

Stability limit of liquid water in metastable equilibrium with subsaturated vapors.

Science.gov (United States)

Wheeler, Tobias D; Stroock, Abraham D

2009-07-07

A pure liquid can reach metastable equilibrium with its subsaturated vapor across an appropriate membrane. This situation is analogous to osmotic equilibrium: the reduced chemical potential of the dilute phase (the subsaturated vapor) is compensated by a difference in pressure between the phases. To equilibrate with subsaturated vapor, the liquid phase assumes a pressure that is lower than its standard vapor pressure, such that the liquid phase is metastable with respect to the vapor phase. For sufficiently subsaturated vapors, the liquid phase can even assume negative pressures. The appropriate membrane for this metastable equilibrium must provide the necessary mechanical support to sustain the difference in pressure between the two phases, limit nonhomogeneous mechanisms of cavitation, and resist the entry of the dilutant (gases) into the pure phase (liquid). In this article, we present a study of the limit of stability of liquid water--the degree of subsaturation at which the liquid cavitates--in this metastable state within microscale voids embedded in hydrogel membranes. We refer to these structures as vapor-coupled voids (VCVs). In these VCVs, we observed that liquid water cavitated when placed in equilibrium with vapors of activity aw,vapairhumiditynucleation theory or molecular simulations (Pcav=-140 to -180 MPa). To determine the cause of the disparity between the observed and predicted stability limit, we examine experimentally the likelihood of several nonhomogeneous mechanisms of nucleation: (i) heterogeneous nucleation caused by hydrophobic patches on void walls, (ii) nucleation caused by the presence of dissolved solute, (iii) nucleation caused by the presence of pre-existing vapor nuclei, and (iv) invasion of air through the hydrogel membrane into the voids. We conclude that, of these possibilities, (i) and (ii) cannot be discounted, whereas (iii) and (iv) are unlikely to play a role in determining the stability limit.

Transient magnetic currents through a molecular bridge: limits to reduction of non-equilibrium Green's functions to a generalized master equation

Czech Academy of Sciences Publication Activity Database

Kalvová, Anděla; Velický, B.; Špička, Václav

2017-01-01

Roč. 30, č. 3 (2017), s. 807-811 ISSN 1557-1939 Institutional support: RVO:68378271 Keywords : non-equilibrium * initial conditions * transient currents * molecular islands Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 1.180, year: 2016

Student Understanding of Liquid-Vapor Phase Equilibrium

Science.gov (United States)

Boudreaux, Andrew; Campbell, Craig

2012-01-01

Student understanding of the equilibrium coexistence of a liquid and its vapor was the subject of an extended investigation. Written assessment questions were administered to undergraduates enrolled in introductory physics and chemistry courses. Responses have been analyzed to document conceptual and reasoning difficulties in sufficient detail to…

Elliptic flow from non-equilibrium initial condition with a saturation scale

International Nuclear Information System (INIS)

Ruggieri, M.; Scardina, F.; Plumari, S.; Greco, V.

2013-01-01

A current goal of relativistic heavy-ion collisions experiments is the search for a Color Glass Condensate (CGC) as the limiting state of QCD matter at very high density. In viscous hydrodynamics simulations, a standard Glauber initial condition leads to estimate 4πη/s∼1, while employing the Kharzeev–Levin–Nardi (KLN) modeling of the glasma leads to at least a factor of 2 larger η/s. Within a kinetic theory approach based on a relativistic Boltzmann-like transport simulation, our main result is that the out-of-equilibrium initial distribution reduces the efficiency in building-up the elliptic flow. At RHIC energy we find the available data on v 2 are in agreement with a 4πη/s∼1 also for KLN initial conditions. More generally, our study shows that the initial non-equilibrium in p-space can have a significant impact on the build-up of anisotropic flow

Equilibrium and Non-Equilibrium Condensation Phenomena in Tuneable 3D and 2D Bose Gases

Science.gov (United States)

2016-04-01

on Atomic Physics (ICAP), the biennial BEC Conference (“Frontiers in Quantum Gases ”) in Sant Feliu, DAMOP and the APS March Meeting. Our results can...turbulence have been studied in a wide variety of physical systems (from classical gases and water to superfluid helium) for many years. However, a system...112.040403 Featured in Physics Today [6] Observing properties of an interacting homogeneous Bose-Einstein condensate: Heisenberg-limited momentum

Non-canonical distribution and non-equilibrium transport beyond weak system-bath coupling regime: A polaron transformation approach

Science.gov (United States)

Xu, Dazhi; Cao, Jianshu

2016-08-01

The concept of polaron, emerged from condense matter physics, describes the dynamical interaction of moving particle with its surrounding bosonic modes. This concept has been developed into a useful method to treat open quantum systems with a complete range of system-bath coupling strength. Especially, the polaron transformation approach shows its validity in the intermediate coupling regime, in which the Redfield equation or Fermi's golden rule will fail. In the polaron frame, the equilibrium distribution carried out by perturbative expansion presents a deviation from the canonical distribution, which is beyond the usual weak coupling assumption in thermodynamics. A polaron transformed Redfield equation (PTRE) not only reproduces the dissipative quantum dynamics but also provides an accurate and efficient way to calculate the non-equilibrium steady states. Applications of the PTRE approach to problems such as exciton diffusion, heat transport and light-harvesting energy transfer are presented.

Isospin equilibrium and non-equilibrium in heavy-ion collisions at intermediate energies

International Nuclear Information System (INIS)

Chen Liewen; Ge Lingxiao; Zhang Xiaodong; Zhang Fengshou

1997-01-01

The equilibrium and non-equilibrium of the isospin degree of freedom are studied in terms of an isospin-dependent QMD model, which includes isospin-dependent symmetry energy, Coulomb energy, N-N cross sections and Pauli blocking. It is shown that there exists a transition from the isospin equilibrium to non-equilibrium as the incident energy from below to above a threshold energy in central, asymmetric heavy-ion collisions. Meanwhile, it is found that the phenomenon results from the co-existence and competition of different reaction mechanisms, namely, the isospin degree of freedom reaches an equilibrium if the incomplete fusion (ICF) component is dominant and does not reach equilibrium if the fragmentation component is dominant. Moreover, it is also found that the isospin-dependent N-N cross sections and symmetry energy are crucial for the equilibrium of the isospin degree of freedom in heavy-ion collisions around the Fermi energy. (author)

Liquid-Liquid Equilibrium and Excess Enthalpies in the Binary System 2-Methylpentane + N,N-Dimethylformamide

Czech Academy of Sciences Publication Activity Database

Bendová, Magdalena; Řehák, K.; Matouš, J.; Novák, J. P.

2004-01-01

Roč. 49, č. 5 (2004), s. 1318-1322 ISSN 0021-9568 Institutional research plan: CEZ:AV0Z4072921 Keywords : liquid-liquid equilibrium * excess enthalpies * thermodynamic models Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.368, year: 2004

Scalar quanta in Fermi liquids: Zero sounds, instabilities, Bose condensation, and a metastable state in dilute nuclear matter

Energy Technology Data Exchange (ETDEWEB)

Kolomeitsev, E.E. [Matej Bel University, Banska Bystrica (Slovakia); Voskresensky, D.N. [National Research Nuclear University (MEPhI), Moscow (Russian Federation)

2016-12-15

The spectrum of bosonic scalar-mode excitations in a normal Fermi liquid with local scalar interaction is investigated for various values and momentum dependence of the scalar Landau parameter f{sub 0} in the particle-hole channel. For f{sub 0} > 0 the conditions are found when the phase velocity on the spectrum of zero sound acquires a minimum at non-zero momentum. For -1 < f{sub 0} < 0 there are only damped excitations, and for f{sub 0} < -1 the spectrum becomes unstable against the growth of scalar-mode excitations. An effective Lagrangian for the scalar excitation modes is derived after performing a bosonization procedure. We demonstrate that the instability may be tamed by the formation of a static Bose condensate of the scalar modes. The condensation may occur in a homogeneous or inhomogeneous state relying on the momentum dependence of the scalar Landau parameter. We show that in the isospin-symmetric nuclear matter there may appear a metastable state at subsaturation nuclear density owing to the condensate. Then we consider a possibility of the condensation of the zero-sound-like excitations in a state with a non-zero momentum in Fermi liquids moving with overcritical velocities, provided an appropriate momentum dependence of the Landau parameter f{sub 0}(k) > 0. We also argue that in peripheral heavy-ion collisions the Pomeranchuk instability may occur already for f{sub 0} > -1. (orig.)

Effect of non-condensable gas on startup of a loop thermosyphon

International Nuclear Information System (INIS)

He, Jiang; Lin, Guiping; Bai, Lizhan; Miao, Jianyin; Zhang, Hongxing; Wang, Lu

2013-01-01

Non-condensable gas (NCG) generated inside two-phase heat transfer devices can adversely affect the thermal performance and limit the lifetime of such devices. In this work, experimental investigation of the effect of NCG on the startup of an ammonia-stainless steel loop thermosyphon was conducted. In the experiment, nitrogen was injected into the loop thermosyphon as NCG. The effect of NCG inventory on the startup behavior was investigated by adjusting the injected amount of nitrogen. The experimental results reveal that NCG prolongs the startup time and increases the startup liquid superheat and temperature overshoot; the more NCG exists in the loop thermosyphon, the higher the liquid superheat and temperature overshoot. When NCG is present in the system, boiling usually occurs in the evaporator before startup, but it does not mean the system will start up instantly, which differs from the conditions without NCG. Under all the conditions, increasing the heat load can effectively shorten the startup time but leads to a large temperature overshoot; forced convection cooling of the condenser has almost no effect on shortening the startup time especially for large NCG inventory situations, but it can effectively limit the temperature overshoot. For large NCG inventory situations, the loop thermosyphon can start up at a small heat load (5 W) or even without a heat load when the condenser is cooled by forced convection of ethanol. No failed start-ups occurred during any of the tests. (authors)

(Liquid + liquid) equilibrium for binary systems of N-formylmorpholine with alkanes

International Nuclear Information System (INIS)

Wang Zhengrong; Xia Shuqian; Ma Peisheng; Liu Tao; Han Kewei

2012-01-01

Highlights: ► The LLE data of four binary systems containing N-formylmorpholine were measured. ► Both NRTL and UNIQUAC models can fit the experimental data well. ► The new group interaction parameters of UNIFAC (Do) were regressed from the LLE data. ► The estimated result shows that the group interaction parameters and methods are reliable. - Abstract: (Liquid + liquid) equilibrium (LLE) data were determined for four binary systems containing N-formylmorpholine (NFM) and alkanes (3-methylpentane, heptane, nonane, and 2,2,4-trimethylpentane) over the temperature range from around 300 K to near 420 K using a set of newly designed equilibrium equipment. The compositions of both light and heavy phases were analyzed by gas chromatography. The mutual solubility increased as the temperature increased for all these systems. The binary (liquid + liquid) equilibrium data were correlated by the NRTL and UNIQUAC equations with temperature-dependent parameters. Both models correlate the experimental results well. Furthermore, the UNIFAC (Do) group contribution model was used to correlate and estimate the LLE data for NFM containing systems. Two methods of group division for NFM were used. NFM is treated as a single group: NFM group (method I) or divided into two groups: CHO and C 4 H 8 NO (method II), respectively. The group interaction parameters for CH 2 –NFM, or CH 2 –CHO and CH 2 –C 4 H 8 NO were fitted from the experimental LLE data. The UNIFAC (Do) model correlates the experimental data well. In addition, in order to develop UNIFAC (Do) group contribution model to estimate the LLE data of (NFM + cycloalkane) systems, some literature LLE data were used. The group interaction parameters for c-CH 2 –NFM, c-CH 2 –CHO and c-CH 2 –C 4 H 8 NO were correlated. Then these group interaction parameters were used to estimate the phase equilibrium data of binary systems in the literature by the UNIFAC (Do) model. The results showed that the estimated values are in

(Vapor + liquid + liquid) equilibrium measurements and correlation for {1,1,2,2-tetrafluoroethane (R134) + isobutane (R600a)} system

International Nuclear Information System (INIS)

Zhao, Yanxing; Gong, Maoqiong; Dong, Xueqiang; Guo, Hao; Wu, Jianfeng

2014-01-01

Highlights: • VLLE data for the (R134 + R600a) system at temperatures ranging from (235.311 to 241.720) K was measured. • The experiment was carried out using an apparatus based on the recirculation of vapor into liquid. • Correlation of VLE data was made using PR−HV−NRTL model. • A strong critical opalescence was observed. - Abstract: In this work, a study on the (vapor + liquid + liquid) equilibrium (VLLE) for the (R134 + R600a) system was carried out using an apparatus based on the recirculation of vapor into liquid at temperatures ranging from (235.311 to 241.720) K. The uncertainties of the composition, temperature, and pressure were less than ±0.005, ±5 mK and ±0.5 kPa, respectively. Thirty-eight experimental p–T–x data covering both branches of the binodal boundary and nineteen experimental p–T–y data were presented. Three numerical methods were used to obtain the second liquid phase compositions coexisting in equilibrium, and all the three methods lead to consistent results. Moreover, all of the experimental data were correlated by the Peng–Robinson equation of state (PR EoS) with the Huron–Vidal (HV) mixing rule involving the non-random two-liquid (NRTL) activity coefficient model. Then the vapor phase compositions were calculated. The results show good agreement with the experimental data, and the maximum deviation is less than 0.006

Modeling the Phase Composition of Gas Condensate in Pipelines

Science.gov (United States)

Dudin, S. M.; Zemenkov, Yu D.; Shabarov, A. B.

2016-10-01

Gas condensate fields demonstrate a number of thermodynamic characteristics to be considered when they are developed, as well as when gas condensate is transported and processed. A complicated phase behavior of the gas condensate system, as well as the dependence of the extracted raw materials on the phase state of the deposit other conditions being equal, is a key aspect. Therefore, when designing gas condensate lines the crucial task is to select the most appropriate methods of calculating thermophysical properties and phase equilibrium of the transported gas condensate. The paper describes a physical-mathematical model of a gas-liquid flow in the gas condensate line. It was developed based on balance equations of conservation of mass, impulse and energy of the transported medium within the framework of a quasi-1D approach. Constitutive relationships are given separately, and practical recommendations on how to apply the research results are provided as well.

Non-equilibrium modelling of distillation

NARCIS (Netherlands)

Wesselingh, JA; Darton, R

1997-01-01

There are nasty conceptual problems in the classical way of describing distillation columns via equilibrium stages, and efficiencies or HETP's. We can nowadays avoid these problems by simulating the behaviour of a complete column in one go using a non-equilibrium model. Such a model has phase

Mixed convection heat transfer between a steam/non-condensable gas mixture and an inclined finned tube bundle

Energy Technology Data Exchange (ETDEWEB)

De Cachard, F.; Lompersky, S.; Monauni, G.R. [Paul Scherrer Institute, Villigen (Switzerland). Thermal Hydraulic Lab.

1999-07-01

An experimental and analytical program was performed at PSI (Paul Scherrer Institute) to study the performance of a finned-tube condenser in the presence of non-condensable gases at low gas mass fluxes. The model developed for this application includes mixed convection heat transfer between the vapour/non-condensable mixture and the finned tubes, heat conduction through the fins and tubes, and evaporative heat transfer inside the tubes. On the gas, heat transfer correlations are used, and the condensation rate is calculated using the heat/mass transfer analogy. A combination of various available correlations for forced convection in staggered finned tube bundles is used, together with a correction accounting for superimposed natural convection. For the condensate heat transfer resistance, the beatty and Katz model for gravity driven liquid films on the tubes is used. The fine efficiency is accounted for using classical iterative calculations. Evaporative heat transfer inside the tubes is predicted using the Chen correlation. The finned tube condenser model has been assessed against data obtained at the PSI LINX facility with two test condensers. For the 62 LINX experiments performed, the model predictions are very good, i.e., less then 10% standard deviation between experimental and predicted results.

Gauge turbulence, topological defect dynamics, and condensation in Higgs models

Energy Technology Data Exchange (ETDEWEB)

Gasenzer, Thomas [Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 16, 69120 Heidelberg (Germany); ExtreMe Matter Institute EMMI, GSI, Planckstraße 1, D-64291 Darmstadt (Germany); McLerran, Larry [Physics Department, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); RIKEN BNL Research Center, Bldg. 510A, Brookhaven National Laboratory, Upton, NY 11973 (United States); Physics Department, China Central Normal University, Wuhan (China); Pawlowski, Jan M.; Sexty, Dénes [Institut für Theoretische Physik, Universität Heidelberg, Philosophenweg 16, 69120 Heidelberg (Germany); ExtreMe Matter Institute EMMI, GSI, Planckstraße 1, D-64291 Darmstadt (Germany)

2014-10-15

The real-time dynamics of topological defects and turbulent configurations of gauge fields for electric and magnetic confinement are studied numerically within a 2+1D Abelian Higgs model. It is shown that confinement is appearing in such systems equilibrating after a strong initial quench such as the overpopulation of the infrared modes. While the final equilibrium state does not support confinement, metastable vortex defect configurations appearing in the gauge field are found to be closely related to the appearance of physically observable confined electric and magnetic charges. These phenomena are seen to be intimately related to the approach of a non-thermal fixed point of the far-from-equilibrium dynamical evolution, signaled by universal scaling in the gauge-invariant correlation function of the Higgs field. Even when the parameters of the Higgs action do not support condensate formation in the vacuum, during this approach, transient Higgs condensation is observed. We discuss implications of these results for the far-from-equilibrium dynamics of Yang–Mills fields and potential mechanisms of how confinement and condensation in non-Abelian gauge fields can be understood in terms of the dynamics of Higgs models. These suggest that there is an interesting new class of dynamics of strong coherent turbulent gauge fields with condensates.

Gauge turbulence, topological defect dynamics, and condensation in Higgs models

International Nuclear Information System (INIS)

Gasenzer, Thomas; McLerran, Larry; Pawlowski, Jan M.; Sexty, Dénes

2014-01-01

The real-time dynamics of topological defects and turbulent configurations of gauge fields for electric and magnetic confinement are studied numerically within a 2+1D Abelian Higgs model. It is shown that confinement is appearing in such systems equilibrating after a strong initial quench such as the overpopulation of the infrared modes. While the final equilibrium state does not support confinement, metastable vortex defect configurations appearing in the gauge field are found to be closely related to the appearance of physically observable confined electric and magnetic charges. These phenomena are seen to be intimately related to the approach of a non-thermal fixed point of the far-from-equilibrium dynamical evolution, signaled by universal scaling in the gauge-invariant correlation function of the Higgs field. Even when the parameters of the Higgs action do not support condensate formation in the vacuum, during this approach, transient Higgs condensation is observed. We discuss implications of these results for the far-from-equilibrium dynamics of Yang–Mills fields and potential mechanisms of how confinement and condensation in non-Abelian gauge fields can be understood in terms of the dynamics of Higgs models. These suggest that there is an interesting new class of dynamics of strong coherent turbulent gauge fields with condensates

Binary and ternary (liquid + liquid) equilibrium for {methylcyclohexane (1) + toluene (2) + 1-hexyl-3-methylimidazolium tetracyanoborate (3)/1-butyl-3-methylimidazolium tetracyanoborate (3)}

International Nuclear Information System (INIS)

Gutierrez, Juan Pablo; Meindersma, Wytze; Haan, Andre B. de

2011-01-01

Highlights: → Binary and ternary extractions for two ionic liquids with organic compounds were measured. → NRTL and UNIQUAC thermodynamic models were used to fit the experimental data. → UNIQUAC model gives better predictions than the NRTL model. → Ionic liquids showed interesting properties as solvents to be applied in separation processes. - Abstract: This paper focuses on the study of the solubility behaviour of 1-hexyl-3-methylimidazolium tetracyanoborate [HMIM][TCB] and 1-butyl-3-methylimidazolium tetracyanoborate [BMIM][TCB] in combination with methylcyclohexane and toluene as representatives for non-aromatic and aromatic components. Binary and ternary (liquid + liquid) equilibrium data were collected at three different temperatures and at atmospheric pressure (0.1 MPa). The experimental data were well-correlated with the NRTL and UNIQUAC thermodynamic models; however, the UNIQUAC model gave better predictions than the NRTL, with a root mean square error below 0.97%. The non-aromatic/aromatic selectivities of the ionic liquids make them suitable solvents to be used in extractive distillation processes.

Exploring Chemical and Thermal Non-equilibrium in Nitrogen Arcs

International Nuclear Information System (INIS)

Ghorui, S; Das, A K

2012-01-01

Plasma torches operating with nitrogen are of special importance as they can operate with usual tungsten based refractory electrodes and offer radical rich non-oxidizing high temperature environment for plasma chemistry. Strong gradients in temperature as well as species densities and huge convective fluxes lead to varying degrees of chemical non-equilibrium in associated regions. An axi-symmetric two-temperature chemical non-equilibrium model of a nitrogen plasma torch has been developed to understand the effects of thermal and chemical non-equilibrium in arcs. A 2-D finite volume CFD code in association with a non-equilibrium property routine enabled extraction of steady state self-consistent distributions of various plasma quantities inside the torch under various thermal and chemical non-equilibrium conditions. Chemical non-equilibrium has been incorporated through computation of diffusive and convective fluxes in each finite volume cell in every iteration and associating corresponding thermodynamic and transport properties through the scheme of 'chemical non-equilibrium parameter' introduced by Ghorui et. al. Recombination coefficient data from Nahar et. al. and radiation data from Krey and Morris have been used in the simulation. Results are presented for distributions of temperature, pressure, velocity, current density, electric potential, species densities and chemical non-equilibrium effects. Obtained results are compared with similar results under LTE.

Toward a Multi-scale Phase Transition Kinetics Methodology: From Non-Equilibrium Statistical Mechanics to Hydrodynamics

Science.gov (United States)

Belof, Jonathan; Orlikowski, Daniel; Wu, Christine; McLaughlin, Keith

2013-06-01

Shock and ramp compression experiments are allowing us to probe condensed matter under extreme conditions where phase transitions and other non-equilibrium aspects can now be directly observed, but first principles simulation of kinetics remains a challenge. A multi-scale approach is presented here, with non-equilibrium statistical mechanical quantities calculated by molecular dynamics (MD) and then leveraged to inform a classical nucleation and growth kinetics model at the hydrodynamic scale. Of central interest is the free energy barrier for the formation of a critical nucleus, with direct NEMD presenting the challenge of relatively long timescales necessary to resolve nucleation. Rather than attempt to resolve the time-dependent nucleation sequence directly, the methodology derived here is built upon the non-equilibrium work theorem in order to bias the formation of a critical nucleus and thus construct the nucleation and growth rates. Having determined these kinetic terms from MD, a hydrodynamics implementation of Kolmogorov-Johnson-Mehl-Avrami (KJMA) kinetics and metastabilty is applied to the dynamic compressive freezing of water and compared with recent ramp compression experiments [Dolan et al., Nature (2007)] Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344.

Measurement of liquid-liquid equilibria for condensate + glycol and condensate + glycol + water systems

DEFF Research Database (Denmark)

Riaz, Muhammad; Kontogeorgis, Georgios; Stenby, Erling Halfdan

2011-01-01

,2-ethanediol (MEG) + condensate and MEG + water + condensate systems at temperatures from (275 to 323) K at atmospheric pressure. The condensate used in this work is a stabilized natural gas condensate from an offshore field in the North Sea. Compositional analysis of the natural gas condensate was carried out...... by gas chromatography, and detailed separation of individual condensate's components has been carried out. Approximately 85 peaks eluting before nonane were identified by their retention time. Peak areas were converted to mass fraction using 1-heptene as an internal standard. The components were divided...... into boiling range groups from hexane to nonane. Paraffinic (P), naphthenic (N), and aromatic (A) distributions were obtained for the boiling point fractions up to nonane. The average molar mass and the overall density of the condensate were measured experimentally. For the mutual solubility of MEG...

Composition and partition functions of partially ionized hydrogen plasma in Non-Local Thermal Equilibrium (Non-LThE) and Non-Local Chemical Equilibrium (Non-LChE)

International Nuclear Information System (INIS)

Chen Kuan; Eddy, T.L.

1993-01-01

A GTME (Generalized MultiThermodynamic Equilibrium) plasma model is developed for plasmas in both Non-LThE (Non-Local Thermal Equilibrium) and Non-LChE (Non-Local Chemical Equilibrium). The model uses multitemperatures for thermal nonequilibrium and non-zero chemical affinities as a measure of the deviation from chemical equilibrium. The plasma is treated as an ideal gas with the Debye-Hueckel approximation employed for pressure correction. The proration method is used when the cutoff energy level is between two discrete levels. The composition and internal partition functions of a hydrogen plasma are presented for electron temperatures ranging from 5000 to 35000 K and pressures from 0.1 to 1000 kPa. Number densities of 7 different species of hydrogen plasma and internal partition functions of different energy modes (rotational, vibrational, and electronic excitation) are computed for three affinity values. The results differ from other plasma properties in that they 1) are not based on equilibrium properties; and 2) are expressed as a function of different energy distribution parameters (temperatures) within each energy mode of each species as appropriate. The computed number densities and partition functions are applicable to calculating the thermodynamic, transport, and radiation properties of a hydrogen plasma not in thermal and chemical equilibria. The nonequilibrium plasma model and plasma compositions presented in this paper are very useful to the diagnosis of high-speed and/or low-pressure plasma flows in which the assumptions of local thermal and chemical equilibrium are invalid. (orig.)

Small angle neutron scattering (SANS) under non-equilibrium conditions

International Nuclear Information System (INIS)

Oberthur, R.C.

1984-01-01

The use of small angle neutron scattering (SANS) for the study of systems under non-equilibrium conditions is illustrated by three types of experiments in the field of polymer research: - the relaxation of a system from an initial non-equilibrium state towards equilibrium, - the cyclic or repetitive installation of a series of non-equilibrium states in a system, - the steady non-equilibrium state maintained by a constant dissipation of energy within the system. Characteristic times obtained in these experiments with SANS are compared with the times obtained from quasi-elastic neutron and light scattering, which yield information about the equilibrium dynamics of the system. The limits of SANS applied to non-equilibrium systems for the measurement of relaxation times at different length scales are shown and compared to the limits of quasielastic neutron and light scattering

Achieving Radiation Tolerance through Non-Equilibrium Grain Boundary Structures.

Science.gov (United States)

Vetterick, Gregory A; Gruber, Jacob; Suri, Pranav K; Baldwin, Jon K; Kirk, Marquis A; Baldo, Pete; Wang, Yong Q; Misra, Amit; Tucker, Garritt J; Taheri, Mitra L

2017-09-25

Many methods used to produce nanocrystalline (NC) materials leave behind non-equilibrium grain boundaries (GBs) containing excess free volume and higher energy than their equilibrium counterparts with identical 5 degrees of freedom. Since non-equilibrium GBs have increased amounts of both strain and free volume, these boundaries may act as more efficient sinks for the excess interstitials and vacancies produced in a material under irradiation as compared to equilibrium GBs. The relative sink strengths of equilibrium and non-equilibrium GBs were explored by comparing the behavior of annealed (equilibrium) and as-deposited (non-equilibrium) NC iron films on irradiation. These results were coupled with atomistic simulations to better reveal the underlying processes occurring on timescales too short to capture using in situ TEM. After irradiation, NC iron with non-equilibrium GBs contains both a smaller number density of defect clusters and a smaller average defect cluster size. Simulations showed that excess free volume contribute to a decreased survival rate of point defects in cascades occurring adjacent to the GB and that these boundaries undergo less dramatic changes in structure upon irradiation. These results suggest that non-equilibrium GBs act as more efficient sinks for defects and could be utilized to create more radiation tolerant materials in future.

PREFACE: International Symposium on Non-Equilibrium Soft Matter 2010 International Symposium on Non-Equilibrium Soft Matter 2010

Science.gov (United States)

Kawakatsu, T.; Matsuyama, A.; Ohta, T.; Tanaka, H.; Tanaka, S.

2011-07-01

Soft matter is a rapidly growing interdisciplinary research field covering a range of subject areas including physics, chemistry, biology, mathematics and engineering. Some of the important universal features of these materials are their mesoscopic structures and their dynamics. Due to the existence of such large-scale structures, which nevertheless exhibit interactions of the order of the thermal energy, soft matter can readily be taken out of equilibrium by imposing a weak external field such as an electric field, a mechanical stress or a shear flow. The importance of the coexistence of microscopic molecular dynamics and the mesoscopic/macroscopic structures and flows requires us to develop hierarchical approaches to understand the nonlinear and nonequilibrium phenomena, which is one of the central issues of current soft matter research. This special section presents selected contributions from the 'International Symposium on Non-Equilibrium Soft Matter 2010' held from 17-20 August 2010 in Nara, Japan, which aimed to describe recent advances in soft matter research focusing especially on its nonequilibrium aspects. The topics discussed cover statics and dynamics of a wide variety of materials ranging from traditional soft matter like polymers, gels, emulsions, liquid crystals and colloids to biomaterials such as biopolymers and biomembranes. Among these studies, we highlighted the physics of biomembranes and vesicles, which has attracted great attention during the last decade; we organized a special session for this active field. The work presented in this issue deals with (1) structure formation in biomembranes and vesicles, (2) rheology of polymers and gels, (3) mesophases in block copolymers, (4) mesoscopic structures in liquid crystals and ionic liquids, and (5) nonequilibrium dynamics. This symposium was organized as part of a research project supported by the Grant-in-Aid for the priority area 'Soft Matter Physics' (2006-2010) from the Ministry of Education

Influence of condensed species on thermo-physical properties of LTE and non-LTE SF6-Cu mixture

Science.gov (United States)

Chen, Zhexin; Wu, Yi; Yang, Fei; Sun, Hao; Rong, Mingzhe; Wang, Chunlin

2017-10-01

SF6-Cu mixture is frequently formed in high-voltage circuit breakers due to the electrode erosion and metal vapor diffusion. During the interruption process, the multiphase effect and deviation from local thermal equilibrium (non-LTE assumption) can both affect the thermo-physical of the arc plasma and further influence the performance of circuit breaker. In this paper, thermo-physical properties, namely composition, thermodynamic properties and transport coefficients are calculated for multiphase SF6-Cu mixture with and without LTE assumption. The composition is confirmed by combining classical two-temperature mass action law with phase equilibrium condition deduced from second law of thermodynamics. The thermodynamic properties and transport coefficients are calculated using the multiphase composition result. The influence of condensed species on thermo-physical properties is discussed at different temperature, pressure (0.1-10 atm), non-equilibrium degrees (1-10), and copper molar proportions (0-50%). It is found that the multiphase effect has significant influence on specific enthalpy, specific heat and heavy species thermal conductivity in both LTE and non-LTE SF6-Cu system. This paper provides a more accurate database for computational fluid dynamic calculation.

Experimental substantiation of combined methods for designing processes for the commercial preparation of gas at gas condensate fields

Energy Technology Data Exchange (ETDEWEB)

Gurevich, G R; Karlinskii, E D; Posypkina, T V

1977-04-01

An analysis is made of the possibility of using two analytical methods for studying vapor--liquid equilibrium of hydrocarbon mixtures that are used in designing the separation of natural gas and the stabilization of condensate--the Chao and Sider method, which uses computations by equilibrium constants. A combined computational method is proposed for describing a unified process of natural gas separation and condensate stabilization. The method of preparing the original data for the computation of the separation and stabilization processes can be significantly simplified. 10 references, 1 table.

Boiling, condensation, and gas-liquid flow

International Nuclear Information System (INIS)

Whalley, P.B.

1987-01-01

Heat transfer phenomena involving boiling and condensation are an important aspect of engineering in the power and process industries. This book, aimed at advanced first-degree and graduate students in mechanical and chemical engineering, deals with these phenomena in detail. The first part of the book describes gas-liquid two-phase flow, as a necessary preliminary to the later discussion of heat transfer and change of phase. A detailed section on calculation methods shows how theory can be put to practical use, and there are also descriptions of some of the equipment and plant used in the process and power industries

Foundations of atmospheric pressure non-equilibrium plasmas

Science.gov (United States)

Bruggeman, Peter J.; Iza, Felipe; Brandenburg, Ronny

2017-12-01

Non-equilibrium plasmas have been intensively studied over the past century in the context of material processing, environmental remediation, ozone generation, excimer lamps and plasma display panels. Research on atmospheric pressure non-equilibrium plasmas intensified over the last two decades leading to a large variety of plasma sources that have been developed for an extended application range including chemical conversion, medicine, chemical analysis and disinfection. The fundamental understanding of these discharges is emerging but there remain a lot of unexplained phenomena in these intrinsically complex plasmas. The properties of non-equilibrium plasmas at atmospheric pressure span over a huge range of electron densities as well as heavy particle and electron temperatures. This paper provides an overview of the key underlying processes that are important for the generation and stabilization of atmospheric pressure non-equilibrium plasmas. The unique physical and chemical properties of theses discharges are also summarized.

HUBBLE-BUBBLE 1. A computer program for the analysis of non-equilibrium flows of water

International Nuclear Information System (INIS)

Mather, D.J.

1978-02-01

A description is given of the computer program HUBBLE-BUBBLE I which simulates the non-equilibrium flow of water and steam in a pipe. The code is designed to examine the transient flow developing in a pipe containing hot compressed water following the rupture of a retaining diaphragm. Allowance is made for an area change in the pipe. Particular attention is paid to the non-equilibrium development of vapour bubbles and to the transition from a bubble-liquid regime to a droplet-vapour regime. The mathematical and computational model is described together with a summary of the FORTRAN subroutines and listing of data input. (UK)

Two-proton correlation functions for equilibrium and non-equilibrium emission

International Nuclear Information System (INIS)

Gong, W.G.; Gelbke, C.K.; Carlin, N.; De Souza, R.T.; Kim, Y.D.; Lynch, W.G.; Murakami, T.; Poggi, G.; Sanderson, D.; Tsang, M.B.; Xu, H.M.; Michigan State Univ., East Lansing; Fields, D.E.; Kwiatkowski, K.; Planeta, R.; Viola, V.E. Jr.; Yennello, S.J.; Indiana Univ., Bloomington; Indiana Univ., Bloomington; Pratt, S.

1990-01-01

Two-proton correlation functions are compared for equilibrium and non-equilibrium emission processes investigated, respectively, in ''reverse kinematics'' for the reactions 129 Xe+ 27 Al and 129 Xe+ 122 Sn at E/A=31 MeV and in ''forward kinematics'' for the reaction 14 N+ 197 Au at E/A=75 MeV. Observed differences in the shapes of the correlation functions are understood in terms of the different time scales for equilibrium and preequilibrium emission. Transverse and longitudinal correlation functions are very similar. (orig.)

Equilibrium and non equilibrium in fragmentation

International Nuclear Information System (INIS)

Dorso, C.O.; Chernomoretz, A.; Lopez, J.A.

2001-01-01

Full text: In this communication we present recent results regarding the interplay of equilibrium and non equilibrium in the process of fragmentation of excited finite Lennard Jones drops. Because the general features of such a potential resemble the ones of the nuclear interaction (fact that is reinforced by the similarity between the EOS of both systems) these studies are not only relevant from a fundamental point of view but also shed light on the problem of nuclear multifragmentation. We focus on the microscopic analysis of the state of the fragmenting system at fragmentation time. We show that the Caloric Curve (i e. the functional relationship between the temperature of the system and the excitation energy) is of the type rise plateau with no vapor branch. The usual rise plateau rise pattern is only recovered when equilibrium is artificially imposed. This result puts a serious question on the validity of the freeze out hypothesis. This feature is independent of the dimensionality or excitation mechanism. Moreover we explore the behavior of magnitudes which can help us determine the degree of the assumed phase transition. It is found that no clear cut criteria is presently available. (Author)

Analytical methodologies for broad metabolite coverage of exhaled breath condensate.

Science.gov (United States)

Aksenov, Alexander A; Zamuruyev, Konstantin O; Pasamontes, Alberto; Brown, Joshua F; Schivo, Michael; Foutouhi, Soraya; Weimer, Bart C; Kenyon, Nicholas J; Davis, Cristina E

2017-09-01

Breath analysis has been gaining popularity as a non-invasive technique that is amenable to a broad range of medical uses. One of the persistent problems hampering the wide application of the breath analysis method is measurement variability of metabolite abundances stemming from differences in both sampling and analysis methodologies used in various studies. Mass spectrometry has been a method of choice for comprehensive metabolomic analysis. For the first time in the present study, we juxtapose the most commonly employed mass spectrometry-based analysis methodologies and directly compare the resultant coverages of detected compounds in exhaled breath condensate in order to guide methodology choices for exhaled breath condensate analysis studies. Four methods were explored to broaden the range of measured compounds across both the volatile and non-volatile domain. Liquid phase sampling with polyacrylate Solid-Phase MicroExtraction fiber, liquid phase extraction with a polydimethylsiloxane patch, and headspace sampling using Carboxen/Polydimethylsiloxane Solid-Phase MicroExtraction (SPME) followed by gas chromatography mass spectrometry were tested for the analysis of volatile fraction. Hydrophilic interaction liquid chromatography and reversed-phase chromatography high performance liquid chromatography mass spectrometry were used for analysis of non-volatile fraction. We found that liquid phase breath condensate extraction was notably superior compared to headspace extraction and differences in employed sorbents manifested altered metabolite coverages. The most pronounced effect was substantially enhanced metabolite capture for larger, higher-boiling compounds using polyacrylate SPME liquid phase sampling. The analysis of the non-volatile fraction of breath condensate by hydrophilic and reverse phase high performance liquid chromatography mass spectrometry indicated orthogonal metabolite coverage by these chromatography modes. We found that the metabolite coverage

Solid-Liquid equilibrium of n-alkanes using the Chain Delta Lattice Parameter model

DEFF Research Database (Denmark)

Coutinho, João A.P.; Andersen, Simon Ivar; Stenby, Erling Halfdan

1996-01-01

The formation of a solid phase in liquid mixtures with large paraffinic molecules is a phenomenon of interest in the petroleum, pharmaceutical, and biotechnological industries among onters. Efforts to model the solid-liquid equilibrium in these systems have been mainly empirical and with different...... degrees of success.An attempt to describe the equilibrium between the high temperature form of a paraffinic solid solution, commonly known as rotator phase, and the liquid phase is performed. The Chain Delta Lattice Parameter model (CDLP) is developed allowing a successful description of the solid-liquid...... equilibrium of n-alkanes ranging from n-C_20 to n-C_40.The model is further modified to achieve a more correct temperature dependence because it severely underestimates the excess enthalpy. It is shown that the ratio of excess enthalpy and entropy for n-alkane solid solutions, as happens for other solid...

Invariance of the solid-liquid interfacial energy in electrowetting probed via capillary condensation.

Science.gov (United States)

Gupta, Rohini; Olivier, Gloria K; Frechette, Joelle

2010-07-20

Capillary condensation is employed to probe the solid-liquid interfacial energy in electrowetting on dielectric. The height of an annular water meniscus formed via capillary condensation inside the surface force apparatus is measured as a function of the potential applied across the meniscus and the dielectric stack where the meniscus is formed. According to the Kelvin equation, a decrease in the solid-liquid interfacial energy at constant temperature and relative humidity should lead to an increase in the meniscus height. Our experimental results on nanometer-sized meniscus are in agreement with the work of Mugele [J. Phys.: Condens. Matter 2007, 19, 375112] and unequivocally demonstrate that the real contact angle (or the solid-liquid interfacial energy) remains unaltered in electrowetting on dielectric.

Equilibrium thermodynamics

CERN Document Server

de Oliveira, Mário J

2017-01-01

This textbook provides an exposition of equilibrium thermodynamics and its applications to several areas of physics with particular attention to phase transitions and critical phenomena. The applications include several areas of condensed matter physics and include also a chapter on thermochemistry. Phase transitions and critical phenomena are treated according to the modern development of the field, based on the ideas of universality and on the Widom scaling theory. For each topic, a mean-field or Landau theory is presented to describe qualitatively the phase transitions. These theories include the van der Waals theory of the liquid-vapor transition, the Hildebrand-Heitler theory of regular mixtures, the Griffiths-Landau theory for multicritical points in multicomponent systems, the Bragg-Williams theory of order-disorder in alloys, the Weiss theory of ferromagnetism, the Néel theory of antiferromagnetism, the Devonshire theory for ferroelectrics and Landau-de Gennes theory of liquid crystals. This new edit...

Gas adsorption and capillary condensation in nanoporous alumina films

Energy Technology Data Exchange (ETDEWEB)

Casanova, Felix; Chiang, Casey E; Li, Chang-Peng; Roshchin, Igor V; Schuller, Ivan K [Physics Department, University of California-San Diego, La Jolla, CA 92093 (United States); Ruminski, Anne M; Sailor, Michael J [Department of Chemistry and Biochemistry, University of California-San Diego, La Jolla, CA 92093 (United States)], E-mail: casanova@physics.ucsd.edu

2008-08-06

Gas adsorption and capillary condensation of organic vapors are studied by optical interferometry, using anodized nanoporous alumina films with controlled geometry (cylindrical pores with diameters in the range of 10-60 nm). The optical response of the film is optimized with respect to the geometric parameters of the pores, for potential performance as a gas sensor device. The average thickness of the adsorbed film at low relative pressures is not affected by the pore size. Capillary evaporation of the liquid from the nanopores occurs at the liquid-vapor equilibrium described by the classical Kelvin equation with a hemispherical meniscus. Due to the almost complete wetting, we can quantitatively describe the condensation for isopropanol using the Cohan model with a cylindrical meniscus in the Kelvin equation. This model describes the observed hysteresis and allows us to use the adsorption branch of the isotherm to calculate the pore size distribution of the sample in good agreement with independent structural measurements. The condensation for toluene lacks reproducibility due to incomplete surface wetting. This exemplifies the relevant role of the fluid-solid (van der Waals) interactions in the hysteretic behavior of capillary condensation.

Gas adsorption and capillary condensation in nanoporous alumina films

International Nuclear Information System (INIS)

Casanova, Felix; Chiang, Casey E; Li, Chang-Peng; Roshchin, Igor V; Schuller, Ivan K; Ruminski, Anne M; Sailor, Michael J

2008-01-01

Gas adsorption and capillary condensation of organic vapors are studied by optical interferometry, using anodized nanoporous alumina films with controlled geometry (cylindrical pores with diameters in the range of 10-60 nm). The optical response of the film is optimized with respect to the geometric parameters of the pores, for potential performance as a gas sensor device. The average thickness of the adsorbed film at low relative pressures is not affected by the pore size. Capillary evaporation of the liquid from the nanopores occurs at the liquid-vapor equilibrium described by the classical Kelvin equation with a hemispherical meniscus. Due to the almost complete wetting, we can quantitatively describe the condensation for isopropanol using the Cohan model with a cylindrical meniscus in the Kelvin equation. This model describes the observed hysteresis and allows us to use the adsorption branch of the isotherm to calculate the pore size distribution of the sample in good agreement with independent structural measurements. The condensation for toluene lacks reproducibility due to incomplete surface wetting. This exemplifies the relevant role of the fluid-solid (van der Waals) interactions in the hysteretic behavior of capillary condensation

Gas adsorption and capillary condensation in nanoporous alumina films.

Science.gov (United States)

Casanova, Fèlix; Chiang, Casey E; Li, Chang-Peng; Roshchin, Igor V; Ruminski, Anne M; Sailor, Michael J; Schuller, Ivan K

2008-08-06

Gas adsorption and capillary condensation of organic vapors are studied by optical interferometry, using anodized nanoporous alumina films with controlled geometry (cylindrical pores with diameters in the range of 10-60 nm). The optical response of the film is optimized with respect to the geometric parameters of the pores, for potential performance as a gas sensor device. The average thickness of the adsorbed film at low relative pressures is not affected by the pore size. Capillary evaporation of the liquid from the nanopores occurs at the liquid-vapor equilibrium described by the classical Kelvin equation with a hemispherical meniscus. Due to the almost complete wetting, we can quantitatively describe the condensation for isopropanol using the Cohan model with a cylindrical meniscus in the Kelvin equation. This model describes the observed hysteresis and allows us to use the adsorption branch of the isotherm to calculate the pore size distribution of the sample in good agreement with independent structural measurements. The condensation for toluene lacks reproducibility due to incomplete surface wetting. This exemplifies the relevant role of the fluid-solid (van der Waals) interactions in the hysteretic behavior of capillary condensation.

A CFD study of wave influence on film steam condensation in the presence of non-condensable gas

Energy Technology Data Exchange (ETDEWEB)

Wang, Xianmao, E-mail: xm-wang11@mails.tsinghua.edu.cn [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Chang, Huajian, E-mail: changhj@tsinghua.edu.cn [Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Corradini, Michael, E-mail: corradini@engr.wisc.edu [Department of Engineering Physics, University of Wisconsin-Madison, 1500 Engineering Drive, Madison, WI 53706 (United States)

2016-08-15

Highlights: • A condensation model is incorporated in the ANSYS FLUENT. • Different turbulence models are evaluated for flows over wavy surfaces. • Wavy surfaces with and without moving velocities are used to model the wave. • Various wavy surfaces with different wave heights and wavelengths are selected. • Wave influence on film steam condensation is investigated. - Abstract: Steam condensation plays an important role in removing heat from the containment of a nuclear plant during postulated accidents. However, due to the presence of non-condensable gases such as air and hydrogen in the containment, the condensation rate can decrease dramatically. Under certain conditions, the condensate film on the cold containment walls can affect the overall heat transfer rate. The wavy interface of the condensate film is a factor and is usually believed to enhance the condensation rate, since the waves can both increase the interfacial area and disturb the non-condensable gas boundary layer. However, it is not clear how to properly account for this factor and what is its quantitative influence in experiments. In this work, a CFD approach is applied to study the wave effects on film condensation in the presence of non-condensable gas. Wavy surfaces with and without moving velocities are used to replace the wavy interface of the falling film. A condensation model is incorporated in the ANSYS FLUENT simulation and a realizable k–ε turbulence model is applied. Various wavy surfaces with different wave heights and wavelengths are selected to conduct numerical experiments with a wide range of gas velocities. The results show that the wave structure can enhance condensation rate up to ten percent mainly due to the alteration of local flow structures in the gas phase. The increments of the condensation rate due to the wavy interface can vary with different gas velocities. The investigation shows that a multiplication factor accounts for the wave effects on film

Influence of condensed species on thermo-physical properties of LTE and non-LTE SF6–Cu mixture

International Nuclear Information System (INIS)

Chen, Zhexin; Wu, Yi; Yang, Fei; Sun, Hao; Rong, Mingzhe; Wang, Chunlin

2017-01-01

SF 6 –Cu mixture is frequently formed in high-voltage circuit breakers due to the electrode erosion and metal vapor diffusion. During the interruption process, the multiphase effect and deviation from local thermal equilibrium (non-LTE assumption) can both affect the thermo-physical of the arc plasma and further influence the performance of circuit breaker. In this paper, thermo-physical properties, namely composition, thermodynamic properties and transport coefficients are calculated for multiphase SF 6 –Cu mixture with and without LTE assumption. The composition is confirmed by combining classical two-temperature mass action law with phase equilibrium condition deduced from second law of thermodynamics. The thermodynamic properties and transport coefficients are calculated using the multiphase composition result. The influence of condensed species on thermo-physical properties is discussed at different temperature, pressure (0.1–10 atm), non-equilibrium degrees (1–10), and copper molar proportions (0–50%). It is found that the multiphase effect has significant influence on specific enthalpy, specific heat and heavy species thermal conductivity in both LTE and non-LTE SF 6 –Cu system. This paper provides a more accurate database for computational fluid dynamic calculation. (paper)

Examples of equilibrium and non-equilibrium behavior in evolutionary systems

Science.gov (United States)

Soulier, Arne

With this thesis, we want to shed some light into the darkness of our understanding of simply defined statistical mechanics systems and the surprisingly complex dynamical behavior they exhibit. We will do so by presenting in turn one equilibrium and then one non-equilibrium system with evolutionary dynamics. In part 1, we will present the seceder-model, a newly developed system that cannot equilibrate. We will then study several properties of the system and obtain an idea of the richness of the dynamics of the seceder model, which is particular impressive given the minimal amount of modeling necessary in its setup. In part 2, we will present extensions to the directed polymer in random media problem on a hypercube and its connection to the Eigen model of evolution. Our main interest will be the influence of time-dependent and time-independent changes in the fitness landscape viewed by an evolving population. This part contains the equilibrium dynamics. The stochastic models and the topic of evolution and non-equilibrium in general will allow us to point out similarities to the various lines of thought in game theory.

Effects of non-condensable gas on the condensation of steam

International Nuclear Information System (INIS)

Jackson, J.D.; An, P.; Reinert, A.; Ahmadinejad, M.

2000-01-01

The experimental work reported here was undertaken with the aim of extending the database currently available on the condensation of steam in the presence of non-condensable gases and thereby improving the empirical input to thermal-hydraulic codes which might be used for design and safety assessment of advanced water-cooled nuclear reactors. Heat was removed from flowing mixtures of steam and air in a test section by means of a water-cooled condensing plate. The test facility constructed for the study incorporates a degassing unit which supplies water to a boiler. This delivers steam steadily to a mixing chamber where it joins with a flow of preheated air. The mixture of steam and air is supplied to the bottom of a cylindrical test section in which it flows upwards over a double sided condensing plate which can be vertical, inclined or horizontal, The rate at which heat is removed by cooling water flowing through internal passages in the plate can de determined calorimetrically knowing the flow rate of the water and its temperature rise. After commissioning experiments had shown that reliable measurements of condensation heat transfer rate could be made using the test facility, a programme of development work followed in the course of which three different designs of condensing plate were evaluated in turn. The version eventually used in the main programme of experiments which followed was made from copper. However, its surfaces were coated with a thin layer of nickel and then with one of chromium. It was found that such a surface consistently promoted dropwise condensation and showed no signs of deterioration after lengthy periods of use. The rate of heat removal from pure steam and from mixtures of steam and air in varying proportions was measured as a function of plate sub-cooling for a variety of plate orientations. (author)

Transition from equilibrium ignition to non-equilibrium burn for ICF capsules surrounded by a high-Z pusher

International Nuclear Information System (INIS)

Li, Ji W.; Chang, Lei; Li, Yun S.; Li, Jing H.

2011-01-01

For the ICF capsule surrounded by a high-Z pusher which traps the radiation and confines the hot fuel, the fuel will first be ignited in thermal equilibrium with radiation at a much lower temperature than hot-spot ignition, which is also the low temperature ignition. Because of the lower areal density for ICF capsules, the equilibrium ignition must be developed into a non-equilibrium burn to shorten the reaction time and lower the drive energy. In this paper, the transition from the equilibrium ignition to non-equilibrium burn is discussed and the energy deposited by α particles required for the equilibrium ignition and non-equilibrium burn to occur is estimated.

Condensation in models with factorized and pair-factorized stationary states

International Nuclear Information System (INIS)

Evans, M R; Waclaw, B

2015-01-01

Non-equilibrium real-space condensation is a phenomenon in which a finite fraction of some conserved quantity (mass, particles, etc) becomes spatially localized. We review two popular stochastic models of hopping particles that lead to condensation and whose stationary states assume a factorized form: the zero-range process and the misanthrope process, and their various generalizations. We also introduce a new model—a misanthrope process with parallel dynamics—that exhibits condensation and has a pair-factorized stationary state

Improvement of degradation with non-condensable gas in micro steam injector

International Nuclear Information System (INIS)

Saihara, Atsushi; Horiki, Sachiyo; Osakabe, Masahiro; Ohmori, Shuichi

2007-01-01

Effect of non-condensable gas on a micro steam injector (MSI) to obtain a vacuum was experimentally studied. When a pure steam was used in the MSI, the high vacuum condition was obtained. However when the mass fraction of air included in the steam was larger than a cartain value, the MSI became unstable and the vacuum condition could not be obtained. It is considered that the malfunction is due to the instability triggered with the uncondensed steam remained at the throat in downstream of the condensing region. The water nozzle was expected to be a key component to mitigate the effect of non-condensable gas. Three kinds of water nozzle whose flow areas were round, star and screw shapes were used in the present experiment. The star-shaped nozzle where the increased surface area could be expected to compensate the degradation of condensation failed to improve the malfunction of MSI with the non-condensable gas. The screw nozzle expected to drive air away outside the condensing surface could mitigate the effect of non-condensable gas. (author)

Non-equilibrium Quasi-Chemical Nucleation Model

Science.gov (United States)

Gorbachev, Yuriy E.

2018-04-01

Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

Isobaric vapour-liquid-liquid equilibrium and vapour-liquid equilibrium for the system water + ethanol + iso-octane at 101.3 kPa

OpenAIRE

Ruiz Beviá, Francisco; Gomis Yagües, Vicente; Asensi Steegmann, Juan Carlos; Font Escamilla, Alicia

2002-01-01

Poster enviado a Equifase 2002, VI Iberoamerican Conference on Phase Equilibria for Process Design, Foz de Iguazú (Brazil), October 12th to 16th, 2002. Many studies have been carried out in the heterogeneous azeotropic distillation field either by experiment or by simulation. The development of all these studies requires the use of sets of isobaric vapour–liquid–liquid equilibrium (VLLE) data. However, the number of ternary systems with experimental VLLE data is very limited, since it is d...

Isotope effects in the equilibrium and non-equilibrium vaporization of tritiated water and ice

International Nuclear Information System (INIS)

Baumgaertner, F.; Kim, M.-A.

1990-01-01

The vaporization isotope effect of the HTO/H 2 O system has been measured at various temperatures and pressures under equilibrium as well as non-equilibrium conditions. The isotope effect values measured in equilibrium sublimation or distillation are in good agreement with the theoretical values based on the harmonic oscillator model. In non-equilibrium vaporization at low temperatures ( 0 C), the isotope effect decreases rapidly with decreasing system pressure and becomes negligible when the system pressure is lowered more than one tenth of the equilibrium vapor pressure. At higher temperatures, the isotope effect decreases very slowly with decreasing system pressure. Discussion is extended for the application of the present results to the study of biological enrichment of tritium. (author)

Extended UNIQUAC Model for Correlation and Prediction of Vapor-Liquid-Liquid-Solid Equilibria in Aqueous Salt Systems Containing Non-Electrolytes. Part B. Alcohol (Ethanol, Propanols, Butanols) - Water-salt systems

DEFF Research Database (Denmark)

Thomsen, Kaj; Iliuta, Maria Cornelia; Rasmussen, Peter

2004-01-01

The Extended UNIQUAC model for electrolyte solutions is an excess Gibbs energy function consisting of a Debye-Huckel term and a term corresponding to the UNIQUAC equation. For vapor-liquid equilibrium calculations, the fugacities of gas-phase components are calculated with the Soave-Redlich-Kwong......The Extended UNIQUAC model for electrolyte solutions is an excess Gibbs energy function consisting of a Debye-Huckel term and a term corresponding to the UNIQUAC equation. For vapor-liquid equilibrium calculations, the fugacities of gas-phase components are calculated with the Soave...... solid-liquid-vapor equilibrium and thermal property data for strongly non-ideal systems. In this work, the model is extended to aqueous salt systems containing higher alcohols. The calculations are based on an extensive database consisting of salt solubility data, vapor liquid equilibrium data...

Extraction of toluene from aliphatic compounds using an ionic liquid as solvent: Influence of the alkane on the (liquid + liquid) equilibrium

International Nuclear Information System (INIS)

Gonzalez, Emilio J.; Calvar, Noelia; Dominguez, Irene; Dominguez, Angeles

2011-01-01

Research highlights: → An ionic liquid was analyzed as solvent for extraction of toluene from alkanes. → Liquid-liquid equilibrium data were measured at 298.15 K and atmospheric pressure. → Selectivity and solute distribution ratio were obtained and compared with literature. → The Othmer-Tobias equation was used to ascertain the experimental LLE data. → Experimental data were correlated using NRTL and UNIQUAC models. - Abstract: In this paper, the feasibility of using 1-ethyl-3-methylimidazolium ethylsulfate ionic liquid, [EMim][ESO 4 ], as solvent for the extraction of toluene from aliphatic compounds (hexane, heptane, octane, or nonane) was analyzed. (Liquid + liquid) equilibrium (LLE) data for the ternary systems {alkane (1) + toluene (2) + [EMim][ESO 4 ] (3)} were measured at T = 298.15 K and atmospheric pressure. Selectivity and solute distribution ratio were calculated from the experimental LLE data, and the obtained values were compared to those previously reported using other ionic liquids and sulfolane. The degree of consistency of the experimental LLE data was ascertained using the Othmer-Tobias equation. Finally, the experimental LLE data were satisfactorily correlated with NRTL and UNIQUAC models.

Vapor-Liquid Equilibrium of Methane with Water and Methanol. Measurements and Modeling

DEFF Research Database (Denmark)

Frost, Michael Grynnerup; Karakatsani, Eirini; von Solms, Nicolas

2014-01-01

that rely on phase equilibrium data for optimization. The objective of this work is to provide experimental data for hydrocarbon systems with polar chemicals such as alcohols, glycols, and water. New vapor-liquid equilibrium data are reported for methane + water, methane + methanol, and methane + methanol...

Non-Equilibrium Thermodynamics in Multiphase Flows

CERN Document Server

Mauri, Roberto

2013-01-01

Non-equilibrium thermodynamics is a general framework that allows the macroscopic description of irreversible processes. This book introduces non-equilibrium thermodynamics and its applications to the rheology of multiphase flows. The subject is relevant to graduate students in chemical and mechanical engineering, physics and material science. This book is divided into two parts. The first part presents the theory of non-equilibrium thermodynamics, reviewing its essential features and showing, when possible, some applications. The second part of this book deals with how the general theory can be applied to model multiphase flows and, in particular, how to determine their constitutive relations. Each chapter contains problems at the end, the solutions of which are given at the end of the book. No prior knowledge of statistical mechanics is required; the necessary prerequisites are elements of transport phenomena and on thermodynamics. “The style of the book is mathematical, but nonetheless it remains very re...

Dynamics of nanoparticle self-assembly into superhydrophobic liquid marbles during water condensation.

Science.gov (United States)

Rykaczewski, Konrad; Chinn, Jeff; Walker, Marlon L; Scott, John Henry J; Chinn, Amy; Jones, Wanda

2011-12-27

Nanoparticles adsorbed onto the surface of a drop can fully encapsulate the liquid, creating a robust and durable soft solid with superhydrophobic characteristics referred to as a liquid marble. Artificially created liquid marbles have been studied for about a decade but are already utilized in some hair and skin care products and have numerous other potential applications. These soft solids are usually formed in small quantity by depositing and rolling a drop of liquid on a layer of hydrophobic particles but can also be made in larger quantities in an industrial mixer. In this work, we demonstrate that microscale liquid marbles can also form through self-assembly during water condensation on a superhydrophobic surface covered with a loose layer of hydrophobic nanoparticles. Using in situ environmental scanning electron microscopy and optical microscopy, we study the dynamics of liquid marble formation and evaporation as well as their interaction with condensing water droplets. We demonstrate that the self-assembly of nanoparticle films into three-dimensional liquid marbles is driven by multiple coalescence events between partially covered droplets and is aided by surface flows causing rapid nanoparticle film redistribution. We also show that droplet and liquid marble coalescence can occur due to liquid-to-liquid contact or squeezing of the two objects into each other as a result of compressive forces from surrounding droplets and marbles. Irrelevant of the mechanism, coalescence of marbles and drops can cause their rapid movement across and rolling off the edge of the surface. We also demonstrate that the liquid marbles randomly moving across the surface can be captured and immobilized by hydrophilic surface patterns.

A Partial Equilibrium Theory for Drops and Capillary Liquids

International Nuclear Information System (INIS)

Searcy, Alan W.; Beruto, Dario T.; Barberis, Fabrizio

2006-01-01

The two-century old theory of Young and Laplace retains a powerful influence on surface and interface studies because it quantitatively predicts the height of rise of capillary liquids from the contact angles of drops. But the classical theory does not acknowledge that equilibrium requires separate minimization of partial free energies of one-component liquids bonded to immiscible solids. We generalize a theorem of Gibbs and Curie to obtain a partial equilibrium (PE) theory that does so and that also predicts the height of capillary rise from contact angles of drops. Published observations and our own measurements of contact angles of water bonded to glass and Teflon surfaces support the conclusion of PE theory that contact angles of meniscuses and of drops are different dependent variables. PE theory provides thermodynamic and kinetic guidance to nanoscale processes that the classical theory obscures, as illustrated by examples in our concluding section

Quaternary (liquid + liquid) equilibrium data for the extraction of toluene from alkanes using the ionic liquid [EMim][MSO4

International Nuclear Information System (INIS)

Corderí, Sandra; Calvar, Noelia; Gómez, Elena; Domínguez, Ángeles

2014-01-01

Highlights: • EMim[MSO 4 ] was proposed as solvent for the extraction of toluene from alkanes. • The quaternary system {heptane + cyclohexane + toluene + [EMim][MSO 4 ]} was evaluated. • The extraction of toluene would be facilitated in the presence of one alkane. • Experimental LLE data were successfully correlated with the NRTL model. - Abstract: (Liquid + liquid) equilibrium (LLE) studies for the extraction of aromatics from alkanes present in the petroleum fractions are important to develop theoretical/semiempirical (liquid + liquid) equilibrium models, which are used in the design of extraction processes. In this work, the ionic liquid 1-ethyl-3-methylimidazolium methylsulfate, [EMim][MSO 4 ], was evaluated as potential solvent for the separation of toluene from heptane and cyclohexane. The LLE data for the quaternary system {heptane (1) + cyclohexane (2) + toluene (3) + [EMim][MSO 4 ] (4)} were experimentally determined at T = 298.15 K and atmospheric pressure. Moreover, the LLE data for the ternary systems {heptane or cyclohexane (1) + toluene (2) + [EMim][MSO 4 ] (3)} were also determined. Solute distribution ratios and selectivities were calculated and analysed in order to evaluate the capability of the ionic liquid to accomplish the separation target. A comparison between the solute distribution ratios and selectivities for the quaternary and the ternary systems was also made. Finally, the experimental tie-line data were correlated with the NRTL model

On the vapor-liquid equilibrium in hydroprocessing reactors

Energy Technology Data Exchange (ETDEWEB)

Chen, J.; Munteanu, M.; Farooqi, H. [National Centre for Upgrading Technology, Devon, AB (Canada)

2009-07-01

When petroleum distillates undergo hydrotreating and hydrocracking, the feedstock and hydrogen pass through trickle-bed catalytic reactors at high temperatures and pressures with large hydrogen flow. As such, the oil is partially vaporized and the hydrogen is partially dissolved in liquid to form a vapor-liquid equilibrium (VLE) system with both vapor and liquid phases containing oil and hydrogen. This may result in considerable changes in flow rates, physical properties and chemical compositions of both phases. Flow dynamics, mass transfer, heat transfer and reaction kinetics may also be modified. Experimental observations of VLE behaviours in distillates with different feedstocks under a range of operating conditions were presented. In addition, VLE was predicted along with its effects on distillates in pilot and commercial scale plants. tabs., figs.

Analysis of experiments for vertical out-tube steam condensation in presence of non-condensable gases

International Nuclear Information System (INIS)

Su Jiqiang; Sun Zhongning; Fan Guangming; Guo Zixuan

2014-01-01

In order to investigate the influence of various parameters in the steam condensation heat transfer process with non-condensable gas, and to get a more suitable empirical correlation, the wall under-cooling, pressure and the content of non-condensable gas were studied outside a vertical tube by experiments. The results showed that: at the same pressure, the relationship between wall sub-cooling and HTC is exponential, and helium stratification does not happen within the experimental range. Based on the analysis of various experimental variables, combined with a large number of experimental data, a wider scope of application of the empirical correlation associated is obtained with the experimental value of the error within ±20%. (authors)

Non-equilibrium transport in the quantum dot: quench dynamics and non-equilibrium steady state

Science.gov (United States)

Culver, Adrian; Andrei, Natan

We present an exact method of calculating the non-equilibrium current driven by a voltage drop across a quantum dot. The system is described by the two lead Anderson model at zero temperature with on-site Coulomb repulsion and non-interacting, linearized leads. We prepare the system in an initial state consisting of a free Fermi sea in each lead with the voltage drop given as the difference between the two Fermi levels. We quench the system by coupling the dot to the leads at t = 0 and following the time evolution of the wavefunction. In the long time limit a new type of Bethe Ansatz wavefunction emerges, which satisfies the Lippmann-Schwinger equation with the two Fermi seas serving as the boundary conditions. This exact, non-perturbative solution describes the non-equilibrium steady state of the system. We describe how to use this solution to compute the infinite time limit of the expectation value of the current operator at a given voltage, which would yield the I-V characteristic of the dot. Research supported by NSF Grant DMR 1410583.

(Liquid + liquid) equilibrium at T = 298.15 K for ternary mixtures of alkane + aromatic compounds + imidazolium-based ionic liquids

International Nuclear Information System (INIS)

Domínguez, Irene; Requejo, Patricia F.; Canosa, José; Domínguez, Ángeles

2014-01-01

Highlights: • The LLE ternary phase diagrams with 2 imidazolium-based ionic liquids were measured. • The LLE data were experimental determined at T = 298.15 K and p = 1 atm. • Mixtures of (octane or nonane) and (benzene or toluene or ethylbenzene) were studied. • LLE experimental data were correlated with NRTL and UNIQUAC thermodynamic models. - Abstract: Ionic liquids, with their unique and tunable properties, can be an advantageous alternative as extractive solvents in separation processes involving systems containing aliphatic and aromatic hydrocarbons. In this work, (liquid + liquid) equilibrium (LLE) data for the ternary systems {nonane (1) + benzene (2) + 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [BMim][NTf 2 ] (3)}, {octane (1) + benzene (2) + 1-methyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide, [PMim][NTf 2 ] (3)}, and {nonane (1) + aromatic compound (benzene or toluene or ethylbenzene) (2) + [PMim][NTf 2 ] (3)} were determined at T = 298.15 K and atmospheric pressure. Selectivity and solute distribution ratio, derived from the equilibrium data, were used to determine if this ionic liquid can be considered as a potential solvent for the separation of aromatic compounds (benzene, toluene, and ethylbenzene) from alkanes (octane and nonane). The experimental data were satisfactorily correlated with NRTL and UNIQUAC models

First principles calculations of thermal conductivity with out of equilibrium molecular dynamics simulations

Science.gov (United States)

Puligheddu, Marcello; Gygi, Francois; Galli, Giulia

The prediction of the thermal properties of solids and liquids is central to numerous problems in condensed matter physics and materials science, including the study of thermal management of opto-electronic and energy conversion devices. We present a method to compute the thermal conductivity of solids by performing ab initio molecular dynamics at non equilibrium conditions. Our formulation is based on a generalization of the approach to equilibrium technique, using sinusoidal temperature gradients, and it only requires calculations of first principles trajectories and atomic forces. We discuss results and computational requirements for a representative, simple oxide, MgO, and compare with experiments and data obtained with classical potentials. This work was supported by MICCoM as part of the Computational Materials Science Program funded by the U.S. Department of Energy (DOE), Office of Science , Basic Energy Sciences (BES), Materials Sciences and Engineering Division under Grant DOE/BES 5J-30.

Condensation of an ideal gas obeying non-Abelian statistics.

Science.gov (United States)

Mirza, Behrouz; Mohammadzadeh, Hosein

2011-09-01

We consider the thermodynamic geometry of an ideal non-Abelian gas. We show that, for a certain value of the fractional parameter and at the relevant maximum value of fugacity, the thermodynamic curvature has a singular point. This indicates a condensation such as Bose-Einstein condensation for non-Abelian statistics and we work out the phase transition temperature in various dimensions.

Non-equilibrium effects upon the non-Markovian Caldeira-Leggett quantum master equation

International Nuclear Information System (INIS)

Bolivar, A.O.

2011-01-01

Highlights: → Classical Brownian motion described by a non-Markovian Fokker-Planck equation. → Quantization process. → Quantum Brownian motion described by a non-Markovian Caldeira-Leggett equation. → A non-equilibrium quantum thermal force is predicted. - Abstract: We obtain a non-Markovian quantum master equation directly from the quantization of a non-Markovian Fokker-Planck equation describing the Brownian motion of a particle immersed in a generic environment (e.g. a non-thermal fluid). As far as the especial case of a heat bath comprising of quantum harmonic oscillators is concerned, we derive a non-Markovian Caldeira-Leggett master equation on the basis of which we work out the concept of non-equilibrium quantum thermal force exerted by the harmonic heat bath upon the Brownian motion of a free particle. The classical limit (or dequantization process) of this sort of non-equilibrium quantum effect is scrutinized, as well.

Grand Canonical Investigation of the Quasi Liquid Layer of Ice: Is It Liquid?

Science.gov (United States)

Pickering, Ignacio; Paleico, Martin; Sirkin, Yamila A Perez; Scherlis, Damian A; Factorovich, Matías H

2018-05-10

In this study, the solid-vapor equilibrium and the quasi liquid layer (QLL) of ice Ih exposing the basal and primary prismatic faces were explored by means of grand canonical molecular dynamics simulations with the monatomic mW potential. For this model, the solid-vapor equilibrium was found to follow the Clausius-Clapeyron relation in the range examined, from 250 to 270 K, with a Δ H sub of 50 kJ/mol in excellent agreement with the experimental value. The phase diagram of the mW model was constructed for the low pressure region around the triple point. The analysis of the crystallization dynamics during condensation and evaporation revealed that, for the basal face, both processes are highly activated, and in particular cubic ice is formed during condensation, producing stacking-disordered ice. The basal and primary prismatic surfaces of ice Ih were investigated at different temperatures and at their corresponding equilibrium vapor pressures. Our results show that the region known as QLL can be interpreted as the outermost layers of the solid where a partial melting takes place. Solid islands in the nanometer length scale are surrounded by interconnected liquid areas, generating a bidimensional nanophase segregation that spans throughout the entire width of the outermost layer even at 250 K. Two approaches were adopted to quantify the QLL and discussed in light of their ability to reflect this nanophase segregation phenomena. Our results in the μVT ensemble were compared with NPT and NVT simulations for two system sizes. No significant differences were found between the results as a consequence of model system size or of the working ensemble. Nevertheless, certain advantages of performing μVT simulations in order to reproduce the experimental situation are highlighted. On the one hand, the QLL thickness measured out of equilibrium might be affected because of crystallization being slower than condensation. On the other, preliminary simulations of AFM

Solid-Liquid and Liquid-Liquid Equilibrium in the Ternary System Acetic Acid-Propanoic Acid-Formamide.

Czech Academy of Sciences Publication Activity Database

Sedláková, Zuzana; Malijevská, I.

2007-01-01

Roč. 261, 1-2 (2007) , s. 129-132 ISSN 0378-3812. [International Conference on Properties and Phase Equilibria for Product and Process Design PPEPPD 2007 /11./. Hersonissos, Crete, 20.05.2007-25.05.2007] Institutional research plan: CEZ:AV0Z40720504 Keywords : solid-liquid equilibrium * ternary system * solid adduct Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.506, year: 2007

Thermodynamic equilibrium model to predict the cobalt distribution coefficient in the CoCl2--HCl--H2O--TBP liquid--liquid extraction system

International Nuclear Information System (INIS)

Nevarez, M.; Bautista, R.G.

1976-01-01

The development of a thermodynamic equilibrium model to predict the cobalt distribution coefficient in the CoCl 2 -HCl-H 2 O-TBP system is described. The model makes use of the various aqueous phase cobaltous chloride complexes stoichiometric stability constants expressed as their degree of formation, their mechanism of extraction into the organic phase, and the equilibrium constant for the extraction reaction. The model was verified by the good agreement between the calculated cobalt distribution coefficients and those obtained experimentally both in the present study and published by other investigators. The optimum extraction of cobalt by the TBP occurred at an HCl equilibrium aqueous place concentration between 8.5 and 9.5M. The development of efficient procedures for the separation and concentration of important industrial metals from their aqueous solutions by liquid-liquid extraction has recently been given impetus by the realization of an impending shortage of energy and mineral resources. Liquid-liquid extraction is one of the few methods by which it is possible to quantitatively separate elements which are similar in properties. The use of liquid-liquid extraction to separate cobalt and nickel, which very frequently occur in nature together, is an important separation problem in nonferrous metallurgy. There is some fundamental information available in the chemical literature regarding the mechanism and equilibrium thermodynamic properties of selected liquid-liquid extraction systems. This research effort shows how this available information can be utilized to improve existing separation and concentration theory and technique. The development and application of a thermodynamic equilibrium model for describing the liquid-liquid extraction of cobaltous chloride from aqueous HCl solutions by tributyl phosphate (TBP) using experimental data obtained in this investigation and from the literature are presented

Phase equilibrium and physical properties of biobased ionic liquid mixtures.

Science.gov (United States)

Toledo Hijo, Ariel A C; Maximo, Guilherme J; Cunha, Rosiane L; Fonseca, Felipe H S; Cardoso, Lisandro P; Pereira, Jorge F B; Costa, Mariana C; Batista, Eduardo A C; Meirelles, Antonio J A

2018-02-28

Protic ionic liquid crystals (PILCs) obtained from natural sources are promising compounds due to their peculiar properties and sustainable appeal. However, obtaining PILCs with higher thermal and mechanical stabilities for product and process design is in demand and studies on such approaches using this new IL generation are still scarce. In this context, this work discloses an alternative way for tuning the physicochemical properties of ILCs by mixing PILs. New binary mixtures of PILs derived from fatty acids and 2-hydroxy ethylamines have been synthesized here and investigated through the characterization of the solid-solid-[liquid crystal]-liquid thermodynamic equilibrium and their rheological and critical micellar concentration profiles. The mixtures presented a marked nonideal melting profile with the formation of solid solutions. This work revealed an improvement of the PILCs' properties based on a significant increase in the ILC temperature domain and the obtainment of more stable mesophases at high temperatures when compared to pure PILs. In addition, mixtures of PILs also showed significant changes in their non-Newtonian and viscosity profile up to 100 s -1 , as well as mechanical stability over a wide temperature range. The enhancement of the physicochemical properties of PILs here disclosed by such an approach leads to more new possibilities of their industrial application at high temperatures.

Non-equilibrium phase transitions in complex plasma

International Nuclear Information System (INIS)

Suetterlin, K R; Raeth, C; Ivlev, A V; Thomas, H M; Khrapak, S; Zhdanov, S; Rubin-Zuzic, M; Morfill, G E; Wysocki, A; Loewen, H; Goedheer, W J; Fortov, V E; Lipaev, A M; Molotkov, V I; Petrov, O F

2010-01-01

Complex plasma being the 'plasma state of soft matter' is especially suitable for investigations of non-equilibrium phase transitions. Non-equilibrium phase transitions can manifest in dissipative structures or self-organization. Two specific examples are lane formation and phase separation. Using the permanent microgravity laboratory PK-3 Plus, operating onboard the International Space Station, we performed unique experiments with binary mixtures of complex plasmas that showed both lane formation and phase separation. These observations have been augmented by comprehensive numerical and theoretical studies. In this paper we present an overview of our most important results. In addition we put our results in context with research of complex plasmas, binary systems and non-equilibrium phase transitions. Necessary and promising future complex plasma experiments on phase separation and lane formation are briefly discussed.

Numerical simulation of gas-liquid two-phase flow behavior with condensation heat transfer

International Nuclear Information System (INIS)

Takamori, Kazuhide; Murase, Michio; Baba, Yoshikazu; Aihara, Tsuyoshi.

1995-01-01

In this study, condensation heat transfer experiments were performed in order to verify a condensation heat transfer model coupled with a three-dimensional two-phase flow analysis. In the heat transfer model, the liquid film flow rate on the heat transfer tubes was calculated by a mass balance equation and the liquid film thickness was calculated from the liquid film flow rate using Nusselt's laminar flow model and Fujii's equation for steam velocity effect. In the experiments, 112 horizontal staggered tubes with an outer diameter of 16 mm and length of 0.55 m were used. Steam and spray water were supplied to the test section, and inlet quality was controlled by the spray water flow rate. The temperature was 100degC and the pressure was 0.1 MPa. The overall heat transfer coefficients were measured for inlet quality of 13-100%. From parameter calculations for the falling liquid film ratio from the upper tubes to the lower tubes, the calculated overall heat transfer coefficients agreed with the data to within ±5% at the falling liquid film ratio of 0.7. (author)

Molecular-dynamics study of propane-hydrate dissociation: Fluctuation-dissipation and non-equilibrium analysis.

Science.gov (United States)

Ghaani, Mohammad Reza; English, Niall J

2018-03-21

Equilibrium and non-equilibrium molecular-dynamics (MD) simulations have been performed to investigate thermal-driven break-up of planar propane-hydrate interfaces in contact with liquid water over the 260-320 K range. Two types of hydrate-surface water-lattice molecular termination were adopted, at the hydrate edge with water, for comparison: a 001-direct surface cleavage and one with completed cages. Statistically significant differences in melting temperatures and initial break-up rates were observed between both interface types. Dissociation rates were observed to be strongly dependent on temperature, with higher rates at larger over-temperatures vis-à-vis melting. A simple coupled mass and heat transfer model, developed previously, was applied to fit the observed dissociation profiles, and this helps us to identify clearly two distinct hydrate-decomposition régimes; following a highly temperature-dependent break-up phase, a second well-defined stage is essentially independent of temperature, in which the remaining nanoscale, de facto two-dimensional system's lattice framework is intrinsically unstable. Further equilibrium MD-analysis of the two-phase systems at their melting point, with consideration of the relaxation times gleaned from the auto-correlation functions of fluctuations in a number of enclathrated guest molecules, led to statistically significant differences between the two surface-termination cases; a consistent correlation emerged in both cases between the underlying, non-equilibrium, thermal-driven dissociation rates sampled directly from melting with that from an equilibrium-MD fluctuation-dissipation approach.

Non-grey benchmark results for two temperature non-equilibrium radiative transfer

International Nuclear Information System (INIS)

Su, B.; Olson, G.L.

1999-01-01

Benchmark solutions to time-dependent radiative transfer problems involving non-equilibrium coupling to the material temperature field are crucial for validating time-dependent radiation transport codes. Previous efforts on generating analytical solutions to non-equilibrium radiative transfer problems were all restricted to the one-group grey model. In this paper, a non-grey model, namely the picket-fence model, is considered for a two temperature non-equilibrium radiative transfer problem in an infinite medium. The analytical solutions, as functions of space and time, are constructed in the form of infinite integrals for both the diffusion description and transport description. These expressions are evaluated numerically and the benchmark results are generated. The asymptotic solutions for large and small times are also derived in terms of elementary functions and are compared with the exact results. Comparisons are given between the transport and diffusion solutions and between the grey and non-grey solutions. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)

Air-cooled steam condensers non-freeze warranties

Energy Technology Data Exchange (ETDEWEB)

Larinoff, M.W.

1995-09-01

What this paper is suggesting is the seller quote a condenser package with a LIMITED NON-FREEZE WARRANTY. Relieve the inexperienced buyer of the responsibility for selecting freeze protection design options. The seller cannot afford to over-design because of the added costs and the need for a competitive price. Yet he cannot under-design and allow the condenser tubes to freeze periodically and then pay the repair bills in accordance with the warranty.

Role of attractive forces in determining the equilibrium structure and dynamics of simple liquids

DEFF Research Database (Denmark)

Toxværd, Søren

2015-01-01

Molecular Dynamics simulations of a Lennard-Jones system with different range of attraction show that the attractive forces modify the radial distribution of the particles. For condensed liquids only, the forces within the the first coordination shell (FCS) are important, but for gases and moderate...... condensed fluids, even the attractive forces outside the FCS play a role. The changes in the distribution caused by neglecting the attractive forces, lead to a too high pressure. The weak long-range attractions damp the dynamics and the diffusion of the particles in gas-, super critical fluid- and in liquid...

Limiting processes in non-equilibrium classical statistical mechanics

International Nuclear Information System (INIS)

Jancel, R.

1983-01-01

After a recall of the basic principles of the statistical mechanics, the results of ergodic theory, the transient at the thermodynamic limit and his link with the transport theory near the equilibrium are analyzed. The fundamental problems put by the description of non-equilibrium macroscopic systems are investigated and the kinetic methods are stated. The problems of the non-equilibrium statistical mechanics are analyzed: irreversibility and coarse-graining, macroscopic variables and kinetic description, autonomous reduced descriptions, limit processes, BBGKY hierarchy, limit theorems [fr

Half-space problem of unsteady evaporation and condensation of polyatomic gas

Science.gov (United States)

Inaba, Masashi; Yano, Takeru

2016-11-01

On the basis of polyatomic version of the ellipsoidal-statistical Bhatnager-Gross-Krook (ES-BGK) model, we consider time-periodic gas flows in a semi-infinite expanse of an initially equilibrium polyatomic gas (methanol) bounded by its planar condensed phase. The kinetic boundary condition at the vapor-liquid interface is assumed to be the complete condensation condition with periodically time-varying macroscopic variables (temperature, saturated vapor density and velocity of the interface), and the boundary condition at infinity is the local equilibrium distribution function. The time scale of variation of macroscopic variables is assumed to be much larger than the mean free time of gas molecules, and the variations of those from a reference state are assumed to be sufficiently small. We numerically investigate thus formulated time-dependent half-space problem for the polyatomic version of linearized ES-BGK model equation with the finite difference method for the case of the Strouhal number Sh=0.01 and 0.1. It is shown that the amplitude of the mass flux at the interface is the maximum, and the phase difference in time between the mass flux and v∞ - vℓ (v∞: vapor velocity at infinity, vℓ: velocity of the vapor-liquid interface) is the minimum absolute value, when the phase difference in time between the liquid surface temperature (the saturated vapor density) and the velocity of interface is close to zero.

Experimental investigation of non-condensable gases effect on operation of VVER steam generator in condensation mode

International Nuclear Information System (INIS)

Efanov, A. D.; Kalyakin, S. G.; Morozov, A. V.; Remizov, O. V.; Tsyganok, A. A.; Generalov, V. N.; Berkovich, V. M.; Taranov, G. S.

2008-01-01

To provide the safety in new Russian NPP designs, protection passive systems which don't depend upon human errors are widely used. In terms of safety, the design of NPP of new generation (NPP-2006) falls into the class of advanced NPPs. In the event of an beyond design basis accident with the rupture of the reactor primary circuit and accompanied by the loss of ac sources, the use of passive safety systems are provided for necessary core cooling. Among these is passive heat removal system (PHRS). In the case of leakage in the primary circuit this system ensures the transition of steam generators (SG) to operation in the mode of condensation of the primary circuit steam coming to SG piping from the reactor. As a result, the condensate from steam generators arrives at the core providing its additional cooling. The SG condensation capacity can be adversely affected by the presence of non-condensable gases in the primary circuit of the reactor. Their main sources are nitrogen arriving at the circuit, as hydro accumulators actuate, products of radiolysis of water and air drawn in from the containment through the pipeline rupture. The accumulation of non-condensable gases in SG piping can result in degradation of its condensation capacity to the extent that condensation completely terminates. In this case, the core cooling conditions may be impaired. To experimental investigation of the condensation mode of operation of WER steam generator, a large scale HA2M-SG test rig was constructed at the SSC RF IPPE. The test rig incorporates: buffer tank, equipped by steam supply system; SG model with volumetric-power scale is 1:46; PHRS heat exchanger imitator, cooling by process water. The rig main equipment connected by pipelines and equipped by valves. The elevations of the main equipment correspond to those of reactor project. The rig maximum operating parameters: steam pressure - 1.6 MPa, temperature - 200 Celsius degrees. Experiments at the HA2M-SG test rig have been

Non-equilibrium quantum heat machines

Science.gov (United States)

Alicki, Robert; Gelbwaser-Klimovsky, David

2015-11-01

Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound.

Non-equilibrium quantum heat machines

International Nuclear Information System (INIS)

Alicki, Robert; Gelbwaser-Klimovsky, David

2015-01-01

Standard heat machines (engine, heat pump, refrigerator) are composed of a system (working fluid) coupled to at least two equilibrium baths at different temperatures and periodically driven by an external device (piston or rotor) sometimes called the work reservoir. The aim of this paper is to go beyond this scheme by considering environments which are stationary but cannot be decomposed into a few baths at thermal equilibrium. Such situations are important, for example in solar cells, chemical machines in biology, various realizations of laser cooling or nanoscopic machines driven by laser radiation. We classify non-equilibrium baths depending on their thermodynamic behavior and show that the efficiency of heat machines powered by them is limited by the generalized Carnot bound. (paper)

Quantum liquid droplets in a mixture of Bose-Einstein condensates

Science.gov (United States)

Cabrera, C. R.; Tanzi, L.; Sanz, J.; Naylor, B.; Thomas, P.; Cheiney, P.; Tarruell, L.

2018-01-01

Quantum droplets are small clusters of atoms self-bound by the balance of attractive and repulsive forces. Here, we report on the observation of droplets solely stabilized by contact interactions in a mixture of two Bose-Einstein condensates. We demonstrate that they are several orders of magnitude more dilute than liquid helium by directly measuring their size and density via in situ imaging. We show that the droplets are stablized against collapse by quantum fluctuations and that they require a minimum atom number to be stable. Below that number, quantum pressure drives a liquid-to-gas transition that we map out as a function of interaction strength. These ultradilute isotropic liquids remain weakly interacting and constitute an ideal platform to benchmark quantum many-body theories.

Equilibrium and non-equilibrium extraction separation of rare earth metals in presence of diethylenetriaminepentaacetic acid in aqueous phase

International Nuclear Information System (INIS)

Azis, Abdul; Teramoto, Masaaki; Matsuyama, Hideto.

1995-01-01

Equilibrium and non-equilibrium extraction separations of rare earth metals were carried out in the presence of chelating agent in the aqueous phase. The separation systems of the rare earth metal mixtures used were Y/Dy, Y/Ho, Y/Er and Y/Tm, and the chelating agent and the extractant were diethylenetriaminepentaacetic acid (DTPA) and bis (2,4,4-trimethylpentyl) phosphinic acid (CYANEXR 272), respectively. For Y/Dy and Y/Ho systems, higher selectivities were obtained in equilibrium separation compared with those in non-equilibrium separation. On the other hand, the selectivities in non-equilibrium separation were higher for Y/Er and Y/Tm systems. In the separation condition suitable to each system, the addition of DTPA to the aqueous phase was found to be very effective for obtaining higher selectivities. The distribution ratios of the rare earth metals and the selectivities in the equilibrium separations obtained experimentally were thoroughly analyzed by considering various equilibria such as the extraction equilibrium and the complex formation equilibrium between rare earth metals and DTPA in the aqueous phase. Moreover, the extraction rates and the selectivities in the non-equilibrium separations were also analyzed by the extraction model considering the dissociation reactions of the rare earth metal-DTPA complexes in the aqueous stagnant layer. Based on these analyses, we presented an index which is useful for selecting the optimum operation mode. Using this index, we can predict that the selectivities under equilibrium conditions are higher than those under non-equilibrium conditions for Y/Dy and Y/Ho systems, while for Y/Er and Y/Tm systems, higher selectivities are obtained under non-equilibrium conditions. The experimental results were in agreement with predictions by this index. Further, the selectivities in various systems including other chelating agents and extractants were discussed based on this index. (J.P.N.)

Demonstration of Nautilus Centripetal Capillary Condenser Technology

Science.gov (United States)

Wheeler, RIchard; Tang, Linh; Wambolt, Spencer; Golliher, Eric; Agui, Juan

2016-01-01

This paper describes the results of a proof of concept effort for development of a Nautilus Centripetal Capillary Condenser (NCCC or NC3) used for microgravity compatible water recovery from moist air with integral passive phase separation. Removal of liquid condensate from the air stream exiting a condenser is readily performed here on Earth. In order to perform this function in space however, without gravity or mechanical action, other tactics including utilization of inertial, drag and capillary forces are required. Within the NC3, liquid water forms via condensation on cold condenser surfaces as humid air passes along multiple spiral channels, each in its own plane, all together forming a stacked plate assembly. Non-mechanical inertial forces are employed to transfer condensate, as it forms, via centripetal action to the outer perimeter of each channel. A V-shaped groove, constructed on this outer edge of the spiral channel, increases local capillary forces thereby retaining the liquid. Air drag then pulls the liquid along to a collection region near the center of the device. Dry air produced by each parallel spiral channel is combined in a common orthogonal, out-of-plane conduit passing down the axial center of the stacked device. Similarly, the parallel condensate streams are combined and removed from the condenser/separator through yet another out-of-plane axial conduit. NC3 is an integration of conventional finned condenser operation, combined with static phase separation and capillary transport phenomena. A Mars' transit mission would be a logical application for this technology where gravity is absent and the use of vibrating, energy-intensive, motor-driven centrifugal separators is undesired. Here a vapor stream from either the Heat Melt Compactor or the Carbon dioxide Reduction Assembly, for example, would be dried to a dew point of 10 deg using a passive NC3 condenser/separator with the precious water condensate recycled to the water bus.

Performance characterization of isolation condenser of SBWR

International Nuclear Information System (INIS)

Khan, H.J.; Rohatgi, U.S.

1992-01-01

A systematic study of the performance of the Isolation Condenser (IC) for a conceptual design of SBWR is presented. The objective of the IC is to passively remove heat and control the pressure variation in the Reactor Pressure Vessel (RPV). According to the observed trends, the IC cooling capacity and condensate flow can independently influence the ultimate performance of the IC. The transient pressure profile for the IC reaches different equilibrium values for each of the cases analyzed. The absolute magnitude of these values are a function of the cooling capacity and flow rates. With appropriate control of the liquid flow loss coefficients, the performance of the IC can be well predicted. Due to the lack of useful data, this study is limited to the numerical simulation of the IC

Molecular dynamics study of CO2 hydrate dissociation: Fluctuation-dissipation and non-equilibrium analysis.

Science.gov (United States)

English, Niall J; Clarke, Elaine T

2013-09-07

Equilibrium and non-equilibrium molecular dynamics (MD) simulations have been performed to investigate thermal-driven break-up of planar CO2 hydrate interfaces in liquid water at 300-320 K. Different guest compositions, at 85%, 95%, and 100% of maximum theoretical occupation, led to statistically-significant differences in the observed initial dissociation rates. The melting temperatures of each interface were estimated, and dissociation rates were observed to be strongly dependent on temperature, with higher dissociation rates at larger over-temperatures vis-à-vis melting. A simple coupled mass and heat transfer model developed previously was applied to fit the observed dissociation profiles, and this helps to identify clearly two distinct régimes of break-up; a second well-defined region is essentially independent of composition and temperature, in which the remaining nanoscale, de facto two-dimensional system's lattice framework is intrinsically unstable. From equilibrium MD of the two-phase systems at their melting point, the relaxation times of the auto-correlation functions of fluctuations in number of enclathrated guest molecules were used as a basis for comparison of the variation in the underlying, non-equilibrium, thermal-driven dissociation rates via Onsager's hypothesis, and statistically significant differences were found, confirming the value of a fluctuation-dissipation approach in this case.

Influence of the distribution of non-condensables on passive containment condenser performance in PANDA

International Nuclear Information System (INIS)

Bandurski, Th.; Huggenberger, M.; Dreier, J.; Aubert, C.; Putz, F.; Gamble, R.E.; Yadigaroglu, G.

2001-01-01

Recently passive cooling systems have been designed for the long-term decay heat removal from the containment of Advanced Light Water Reactors. In particular, the long-term LOCA response of the Passive Containment Cooling System (PCCS) for the General Electric European Simplified Boiling Water Reactor (ESBWR) has been tested in the large-scale PANDA facility. The PANDA tests achieved the dual objectives of improving confidence in the performance of the passive heat removal mechanisms underlying the design of the system, and extending the database available for containment analysis code qualification. The tests conducted subject the PCCS to a variety of conditions representing design-basis and beyond-design-basis accident conditions. These include operation in the presence of both heavier and lighter than steam non-condensable gases, as well as a variety of asymmetric and challenging start-up conditions. The present paper addresses the transient distribution of non-condensables in PANDA, and their effect on (passive) condenser performance. (author)

Influence of the distribution of non-condensables on passive containment condenser performance in PANDA

Energy Technology Data Exchange (ETDEWEB)

Bandurski, Th.; Huggenberger, M.; Dreier, J.; Aubert, C.; Putz, F.; Gamble, R.E.; Yadigaroglu, G

2001-03-01

Recently passive cooling systems have been designed for the long-term decay heat removal from the containment of Advanced Light Water Reactors. In particular, the long-term LOCA response of the Passive Containment Cooling System (PCCS) for the General Electric European Simplified Boiling Water Reactor (ESBWR) has been tested in the large-scale PANDA facility. The PANDA tests achieved the dual objectives of improving confidence in the performance of the passive heat removal mechanisms underlying the design of the system, and extending the database available for containment analysis code qualification. The tests conducted subject the PCCS to a variety of conditions representing design-basis and beyond-design-basis accident conditions. These include operation in the presence of both heavier and lighter than steam non-condensable gases, as well as a variety of asymmetric and challenging start-up conditions. The present paper addresses the transient distribution of non-condensables in PANDA, and their effect on (passive) condenser performance. (author)

Precipitation in as-solidified undercooled Ni-Si hypoeutectic alloy: Effect of non-equilibrium solidification

Energy Technology Data Exchange (ETDEWEB)

Fan Kai [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Liu Feng, E-mail: liufeng@nwpu.edu.cn [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China); Yang Gencang; Zhou Yaohe [State Key Laboratory of Solidification Processing, Northwestern Polytechnical University, Xi' an, Shaanxi 710072 (China)

2011-08-25

Highlights: {yields} The solid solubility of Si atom in {alpha}-Ni matrix increased with undercooling in the as-solidified sample. {yields} The effect of non-equilibrium solidification on precipitation has been theoretically described. {yields} The nucleation density, the real-time particle size and the precipitation rate are all increased upon annealing. {yields} The precipitate process can be artificially controlled by modifying the initial melt undercooling and the annealing time. - Abstract: Applying glass fluxing and cyclic superheating, high undercooling up to {approx}350 K was achieved for Ni-Si hypoeutectic alloy melt. By isothermally annealing the as-solidified alloy subjected to different undercoolings, precipitation behavior of Ni{sub 3}Si particle, at 973 K, was systematically studied. It was found that, the nucleation density and the real-time particle size, as well as the precipitation rate, were all increased, provided the sample was solidified subjected to higher undercooling. This was ascribed mainly to the increased solid solubility of Si atom in {alpha}-Ni matrix upon non-equilibrium solidification. On this basis, the non-equilibrium dendrite growth upon solidification and the soft impingement prevailing upon solid-state precipitation have been quantitatively connected. As such, the effect of liquid/solid transformation on subsequent precipitation was described.

Precipitation in as-solidified undercooled Ni-Si hypoeutectic alloy: Effect of non-equilibrium solidification

International Nuclear Information System (INIS)

Fan Kai; Liu Feng; Yang Gencang; Zhou Yaohe

2011-01-01

Highlights: → The solid solubility of Si atom in α-Ni matrix increased with undercooling in the as-solidified sample. → The effect of non-equilibrium solidification on precipitation has been theoretically described. → The nucleation density, the real-time particle size and the precipitation rate are all increased upon annealing. → The precipitate process can be artificially controlled by modifying the initial melt undercooling and the annealing time. - Abstract: Applying glass fluxing and cyclic superheating, high undercooling up to ∼350 K was achieved for Ni-Si hypoeutectic alloy melt. By isothermally annealing the as-solidified alloy subjected to different undercoolings, precipitation behavior of Ni 3 Si particle, at 973 K, was systematically studied. It was found that, the nucleation density and the real-time particle size, as well as the precipitation rate, were all increased, provided the sample was solidified subjected to higher undercooling. This was ascribed mainly to the increased solid solubility of Si atom in α-Ni matrix upon non-equilibrium solidification. On this basis, the non-equilibrium dendrite growth upon solidification and the soft impingement prevailing upon solid-state precipitation have been quantitatively connected. As such, the effect of liquid/solid transformation on subsequent precipitation was described.

Vapor-liquid equilibrium for the system ethyl alcohol + ester; Equilibrio liquido-vapor para o sistema alcool etilico+ester

Energy Technology Data Exchange (ETDEWEB)

Oliveira, Humberto Neves Maia de; Nascimento, Yuri Corsino do; Chiavone-Filho, Osvaldo [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil)

2004-07-01

This work consists of the experimental determination of a series of vapor-liquid equilibrium (VLE) data, for mixtures of ethyl alcohol + ester (ethyl acetate), prepared synthetically, that may be present in the production of biodiesel. The separation of the ethyl alcohol from esters by distillation is an important stage of this process, and therefore it demands accurate data for an appropriate modelling, and later optimization via simulators. FISCHER'S ebulliometer, with digital control (Model 602), was used for measurement of VLE data for the system ethyl alcohol + ester. It consists of a recirculation cell of the both vapor and liquid phases, providing complete data, i.e., pressure, temperature and compositions of the liquid and vapor phases that were obtained by gaseous chromatography (PTxy). This apparatus is coupled to a thermostatic bath with cooling (TE-184 TECNAL) that aims to condense the coming steams of the ebullition in order to return to the mixture camera. The VLE data obtained experimentally were submitted to the test of thermodynamic consistence of the deviations, where the equation of Gibbs-Duhem is used, through the model UNIQUAC. The parameters obtained from the experimental data can be applied in the simulators of processes with the purpose of optimizing the separation of the ethyl alcohol of Ester. (author)

Combined equilibrium and non-equilibrium phosphorus segregation to grain boundaries in a 2.25Cr1Mo steel

International Nuclear Information System (INIS)

Song, S.-H.; Shen, D.-D.; Yuan, Z.-X.; Liu, J.; Xu, T.-D.; Weng, L.-Q.

2003-01-01

Grain boundary segregation of phosphorus in a P-doped 2.25Cr1Mo steel during ageing at 540 deg. C after quenching from 980 deg. C is examined by Auger electron spectroscopy. The segregation is a combined effect of equilibrium segregation and non-equilibrium segregation. The effect of phosphorus non-equilibrium segregation is to enhance the kinetics of its equilibrium segregation

Understanding Non-equilibrium Thermodynamics Foundations, Applications, Frontiers

CERN Document Server

Jou, David; Lebon, Georgy

2007-01-01

This book offers a homogeneous presentation of the many faces of non-equilibrium thermodynamics. The first part is devoted to a description of the nowadays thermodynamic formalism recognized as the classical theory of non-equilibrium processes. This part of the book may serve as a basis to an introductory course dedicated to first-year graduate students in sciences and engineering. The classical description can however not be complete, as it rests on the hypothesis of local equilibrium. This has fostered the development of many theories going beyond local equilibrium and which cannot be put aside. The second part of the book is concerned with these different approaches, and will be of special interest for PhD students and researchers. For the sake of homogeneity, the authors have used the general structure and methods presented in the first part. Indeed, besides their differences, all these formalisms are not closed boxes but present some overlappings and parallelisms which are emphasized in this book. For pe...

Prediction of the liquid-vapor equilibrium pressure using the quasi-Gaussian entropy theory

NARCIS (Netherlands)

Amadei, A; Roccatano, D; Apol, M.E F; Berendsen, H.J.C.; Di Nola, A.

1996-01-01

We derived a method to evaluate the liquid-vapor equilibrium pressure, with high accuracy over a large range of temperature, using the quasi-Gaussian entropy theory. The final expression that we obtain for the equilibrium pressure as a function of the temperature can be considered as a very accurate

"Non-equilibrium" block copolymer micelles with glassy cores: a predictive approach based on theory of equilibrium micelles.

Science.gov (United States)

Nagarajan, Ramanathan

2015-07-01

Micelles generated in water from most amphiphilic block copolymers are widely recognized to be non-equilibrium structures. Typically, the micelles are prepared by a kinetic process, first allowing molecular scale dissolution of the block copolymer in a common solvent that likes both the blocks and then gradually replacing the common solvent by water to promote the hydrophobic blocks to aggregate and create the micelles. The non-equilibrium nature of the micelle originates from the fact that dynamic exchange between the block copolymer molecules in the micelle and the singly dispersed block copolymer molecules in water is suppressed, because of the glassy nature of the core forming polymer block and/or its very large hydrophobicity. Although most amphiphilic block copolymers generate such non-equilibrium micelles, no theoretical approach to a priori predict the micelle characteristics currently exists. In this work, we propose a predictive approach for non-equilibrium micelles with glassy cores by applying the equilibrium theory of micelles in two steps. In the first, we calculate the properties of micelles formed in the mixed solvent while true equilibrium prevails, until the micelle core becomes glassy. In the second step, we freeze the micelle aggregation number at this glassy state and calculate the corona dimension from the equilibrium theory of micelles. The condition when the micelle core becomes glassy is independently determined from a statistical thermodynamic treatment of diluent effect on polymer glass transition temperature. The predictions based on this "non-equilibrium" model compare reasonably well with experimental data for polystyrene-polyethylene oxide diblock copolymer, which is the most extensively studied system in the literature. In contrast, the application of the equilibrium model to describe such a system significantly overpredicts the micelle core and corona dimensions and the aggregation number. The non-equilibrium model suggests ways to

A new model and extension of Wong-Sandler mixing rule for prediction of (vapour + liquid) equilibrium of polymer solutions using EOS/GE

International Nuclear Information System (INIS)

Haghtalab, Ali; Espanani, Reza

2004-01-01

The cubic equation of state (CEOS) is a powerful method for calculation of (vapour + liquid) equilibrium (VLE) in polymer solutions. Using CEOS for both the vapour and liquid phases allows one to calculate the non-ideality of polymer solutions based on a single EOS approach. However, the traditional mixing rules are not appropriate to extend the CEOS to non-ideal mixtures such as polymer solutions. Several authors have applied the EOS/G E approach to predict (vapour + liquid) equilibria in polymer solutions, however, incorporating an appropriate excess Gibbs free energy for the new mixing rule is a major step. In this research, the NRTL-NRF model was extended in terms of volume fraction of polymer and solvent (instead of mole fraction), then equilibrium calculations were carried out using PRSV EOS and Wong-Sandler mixing rules. Using the adjustable parameters as a function of solution temperature, the NRTL-NRF model can be used as a predictive model. In comparison with NRTL model, the results of the new NRTL-NRF model show better accuracy

Dynamic d-symmetry Bose condensate of a planar-large-bipolaron liquid in cuprate superconductors

Science.gov (United States)

Emin, David

2017-11-01

Planar-large-bipolarons can form if the ratio of the surrounding mediums' static to high-frequency dielectric constants is especially large, ε0/ε∞ >> 2. A large-bipolaron in p-doped La2CuO4 is modelled as two electrons being removed from the out-of-plane orbitals of four oxygen ions circumscribed by four copper ions of a CuO2 layer. These oxygen dianions relax inwardly as they donate electrons to the surrounding outwardly relaxing copper cations. This charge transfer generates the strong in-plane electron-lattice interaction needed to stabilise a large-bipolaron with respect to decomposing into polarons. The lowest-energy radial in-plane optic vibration of a large-bipolaron's four core oxygen ions with their associated electronic charges has d-symmetry. Electronic relaxation in response to multiple large-bipolarons' atomic vibrations lowers their frequencies to generate a phonon-mediated attraction among them which fosters their condensation into a liquid. This liquid features distinctive transport and optical properties. A large-bipolaron liquid's superconductivity can result when it undergoes a Bose condensation yielding macroscopic occupation of its ground state. The synchronised vibrations of large-bipolarons' core-oxygen ions with their electronic charges generate this Bose condensate's dynamic global d-symmetry.

Modelling non-equilibrium thermodynamic systems from the speed-gradient principle.

Science.gov (United States)

Khantuleva, Tatiana A; Shalymov, Dmitry S

2017-03-06

The application of the speed-gradient (SG) principle to the non-equilibrium distribution systems far away from thermodynamic equilibrium is investigated. The options for applying the SG principle to describe the non-equilibrium transport processes in real-world environments are discussed. Investigation of a non-equilibrium system's evolution at different scale levels via the SG principle allows for a fresh look at the thermodynamics problems associated with the behaviour of the system entropy. Generalized dynamic equations for finite and infinite number of constraints are proposed. It is shown that the stationary solution to the equations, resulting from the SG principle, entirely coincides with the locally equilibrium distribution function obtained by Zubarev. A new approach to describe time evolution of systems far from equilibrium is proposed based on application of the SG principle at the intermediate scale level of the system's internal structure. The problem of the high-rate shear flow of viscous fluid near the rigid plane plate is discussed. It is shown that the SG principle allows closed mathematical models of non-equilibrium processes to be constructed.This article is part of the themed issue 'Horizons of cybernetical physics'. © 2017 The Author(s).

Equilibrium configurations of the conducting liquid surface in a nonuniform electric field

Science.gov (United States)

Zubarev, N. M.; Zubareva, O. V.

2011-01-01

Possible equilibrium configurations of the free surface of a conducting liquid deformed by a nonuniform external electric field are investigated. The liquid rests on an electrode that has the shape of a dihedral angle formed by two intersecting equipotential half-planes (conducting wedge). It is assumed that the problem has plane symmetry: the surface is invariant under shift along the edge of the dihedral angle. A one-parametric family of exact solutions for the shape of the surface is found in which the opening angle of the region above the wedge serves as a parameter. The solutions are valid when the pressure difference between the inside and outside of the liquid is zero. For an arbitrary pressure difference, approximate solutions to the problem are constructed and it is demonstrated the approximation error is small. It is found that, when the potential difference exceeds a certain threshold value, equilibrium solutions are absent. In this case, the region occupied by the liquid disintegrates, the disintegration scenario depending on the opening angle.

Harvesting liquid from unsaturated vapor - nanoflows induced by capillary condensation

Science.gov (United States)

Vincent, Olivier; Marguet, Bastien; Stroock, Abraham

2016-11-01

A vapor, even subsaturated, can spontaneously form liquid in nanoscale spaces. This process, known as capillary condensation, plays a fundamental role in various contexts, such as the formation of clouds or the dynamics of hydrocarbons in the geological subsurface. However, large uncertainties remain on the thermodynamics and fluid mechanics of the phenomenon, due to experimental challenges as well as outstanding questions about the validity of macroscale physics at the nanometer scale. We studied experimentally the spatio-temporal dynamics of water condensation in a model nanoporous medium (pore radius 2 nm), taking advantage of the color change of the material upon hydration. We found that at low relative humidities ( 60 % RH, driven by a balance between the pore capillary pressure and the condensation stress given by Kelvin equation. Further analyzing the imbibition dynamics as a function of saturation allowed us to extract detailed information about the physics of nano-confined fluids. Our results suggest excellent extension of macroscale fluid dynamics and thermodynamics even in pores 10 molecules in diameter.

Consistent vapour-liquid equilibrium data containing lipids

DEFF Research Database (Denmark)

Cunico, Larissa; Ceriani, Roberta; Sarup, Bent

Consistent physical and thermodynamic properties of pure components and their mixtures are important for process design, simulation, and optimization as well as design of chemical based products. In the case of lipids, it was observed a lack of experimental data for pure compounds and also...... for their mixtures in open literature, what makes necessary the development of reliable predictive models based on limited data. To contribute to the missing data, measurements of isobaric vapour-liquid equilibrium (VLE) data of three binary mixtures at two different pressures were performed at State University...

Non-equilibrium thermodynamics

CERN Document Server

De Groot, Sybren Ruurds

1984-01-01

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

Evolution and non-equilibrium physics

DEFF Research Database (Denmark)

Becker, Nikolaj; Sibani, Paolo

2014-01-01

We argue that the stochastic dynamics of interacting agents which replicate, mutate and die constitutes a non-equilibrium physical process akin to aging in complex materials. Specifically, our study uses extensive computer simulations of the Tangled Nature Model (TNM) of biological evolution...

Feasibility of a single-parameter description of equilibrium viscous liquid dynamics

DEFF Research Database (Denmark)

Pedersen, Ulf Rørbæk; Christensen, Tage Emil; Schrøder, Thomas

2008-01-01

Molecular dynamics results for the dynamic Prigogine-Defay ratio are presented for two glass-forming liquids, thus evaluating the experimentally relevant quantity for testing whether metastable-equilibrium liquid dynamics is described by a single parameter to a good approximation. For the Kob......-Andersen binary Lennard-Jones mixture as well as for an asymmetric dumbbell model liquid, a single-parameter description works quite well. This is confirmed by time-domain results where it is found that energy and pressure fluctuations are strongly correlated on the alpha time scale in the constant...

Development of chemical equilibrium analysis code 'CHEEQ'

International Nuclear Information System (INIS)

Nagai, Shuichiro

2006-08-01

'CHEEQ' code which calculates the partial pressure and the mass of the system consisting of ideal gas and pure condensed phase compounds, was developed. Characteristics of 'CHEEQ' code are as follows. All the chemical equilibrium equations were described by the formation reactions from the mono-atomic gases in order to simplify the code structure and input preparation. Chemical equilibrium conditions, Σν i μ i =0 for the gaseous compounds and precipitated condensed phase compounds and Σν i μ i > 0 for the non-precipitated condensed phase compounds, were applied. Where, ν i and μ i are stoichiometric coefficient and chemical potential of component i. Virtual solid model was introduced to perform the calculation of constant partial pressure condition. 'CHEEQ' was consisted of following 3 parts, (1) analysis code, zc132. f. (2) thermodynamic data base, zmdb01 and (3) input data file, zindb. 'CHEEQ' code can calculate the system which consisted of elements (max.20), condensed phase compounds (max.100) and gaseous compounds. (max.200). Thermodynamic data base, zmdb01 contains about 1000 elements and compounds, and 200 of them were Actinide elements and their compounds. This report describes the basic equations, the outline of the solution procedure and instructions to prepare the input data and to evaluate the calculation results. (author)

One-dimensional three-field model of condensation in horizontal countercurrent flow with supercritical liquid velocity

International Nuclear Information System (INIS)

Trewin, Richard R.

2011-01-01

Highlights: → CCFL in the hot leg of a PWR with ECC Injection. → Three-Field Model of counter flowing water film and entrained droplets. → Flow of steam can cause a hydraulic jump in the supercritical flow of water. → Condensation of steam on subcooled water increases the required flow for hydraulic jump. → Better agreement with UPTF experimental data than Wallis-type correlation. - Abstract: A one-dimensional three-field model was developed to predict the flow of liquid and vapor that results from countercurrent flow of water injected into the hot leg of a PWR and the oncoming steam flowing from the upper plenum. The model solves the conservation equations for mass, momentum, and energy in a continuous-vapor field, a continuous-liquid field, and a dispersed-liquid (entrained-droplet) field. Single-effect experiments performed in the upper plenum test facility (UPTF) of the former SIEMENS KWU (now AREVA) at Mannheim, Germany, were used to validate the countercurrent flow limitation (CCFL) model in case of emergency core cooling water injection into the hot legs. Subcooled water and saturated steam flowed countercurrent in a horizontal pipe with an inside diameter of 0.75 m. The flow of injected water was varied from 150 kg/s to 400 kg/s, and the flow of steam varied from 13 kg/s to 178 kg/s. The subcooling of the liquid ranged from 0 K to 104 K. The velocity of the water at the injection point was supercritical (greater than the celerity of a gravity wave) for all the experiments. The three-field model was successfully used to predict the experimental data, and the results from the model provide insight into the mechanisms that influence the flows of liquid and vapor during countercurrent flow in a hot leg. When the injected water was saturated and the flow of steam was small, all or most of the injected water flowed to the upper plenum. Because the velocity of the liquid remained supercritical, entrainment of droplets was suppressed. When the injected

Optimisation of condenser design in waste immobilisation plants (WIP`s)

Energy Technology Data Exchange (ETDEWEB)

Rajani, G; Ozarde, P D; Gandhi, P M [Waste Management Projects Division, Bhabha Atomic Research Centre, Mumbai (India)

1994-06-01

The situation under study is vertical heat exchanger with steam as the condensing vapour and NO{sub x} gases as the non condensible gas. The presence of even a small quantity of non-condensible gas in the condensible vapour has a profound influence on the resistance to heat transfer in the region of liquid-vapour heat transfer. Heat transfer coefficients go on reducing progressively, making condensers prohibitively bulky and hence optimisation of condensers is necessary for carrying out design calculations. The condenser has been divided into segments and for each segment, momentum and energy equations have been established and solved. Finally the average value for overall mass transfer coefficients has been calculated. Parametric studies giving the influence of sub cooling gases, water temperature, exit temperature etc. have been studied. (author). 5 refs., 5 figs., 2 tabs.

Investigation of Non-Equilibrium Radiation for Earth Entry

Science.gov (United States)

Brandis, A. M.; Johnston, C. O.; Cruden, B. A.

2016-01-01

For Earth re-entry at velocities between 8 and 11.5 km/s, the accuracy of NASA's computational uid dynamic and radiative simulations of non-equilibrium shock layer radiation is assessed through comparisons with measurements. These measurements were obtained in the NASA Ames Research Center's Electric Arc Shock Tube (EAST) facility. The experiments were aimed at measuring the spatially and spectrally resolved radiance at relevant entry conditions for both an approximate Earth atmosphere (79% N2 : 21% O2 by mole) as well as a more accurate composition featuring the trace species Ar and CO2 (78.08% N2 : 20.95% O2 : 0.04% CO2 : 0.93% Ar by mole). The experiments were configured to target a wide range of conditions, of which shots from 8 to 11.5 km/s at 0.2 Torr (26.7 Pa) are examined in this paper. The non-equilibrium component was chosen to be the focus of this study as it can account for a significant percentage of the emitted radiation for Earth re-entry, and more importantly, non-equilibrium has traditionally been assigned a large uncertainty for vehicle design. The main goals of this study are to present the shock tube data in the form of a non-equilibrium metric, evaluate the level of agreement between the experiment and simulations, identify key discrepancies and to examine critical aspects of modeling non-equilibrium radiating flows. Radiance pro les integrated over discreet wavelength regions, ranging from the Vacuum Ultra Violet (VUV) through to the Near Infra-Red (NIR), were compared in order to maximize both the spectral coverage and the number of experiments that could be used in the analysis. A previously defined non-equilibrium metric has been used to allow comparisons with several shots and reveal trends in the data. Overall, LAURA/HARA is shown to under-predict EAST by as much as 40% and over-predict by as much as 12% depending on the shock speed. DPLR/NEQAIR is shown to under-predict EAST by as much as 50% and over-predict by as much as 20% depending

Numerical Method based on SIMPLE Algorithm for a Two-Phase Flow with Non-condensable Gas

International Nuclear Information System (INIS)

Kim, Jong Tae

2009-08-01

In this study, a numerical method based on SIMPLE algorithm for a two-phase flow with non-condensable gas has been developed in order to simulate thermal hydraulics in a containment of a nuclear power plant. As governing equations, it adopts a two-fluid three-field model for the two-phase flows. The three fields include gas, drops, and continuous liquid. The gas field can contains vapor and non-condensable gases such as air and hydrogen. In order to resolve mixing phenomena of gas species, gas transport equations for each species base on the gas mass fractions are solved with gas phase governing equations such as mass, momentum and energy equations. Methods to evaluate the properties of the gas species were implemented in the code. They are constant or polynomial function based a user input and a property library from Chemkin and JANAF table for gas specific heat. Properties for the gas mixture which are dependent on mole fractions of the gas species were evaluated by a mix rule

Kelvin Equation for a Non-Ideal Multicomponent Mixture

DEFF Research Database (Denmark)

Shapiro, Alexander; Stenby, Erling Halfdan

1997-01-01

The Kelvin equation is generalized by application to a case of a multicomponent non-ideal mixture. Such a generalization is necessary in order to describe the two-phase equilibrium in a capillary medium with respect to both normal and retrograde condensation. The equation obtained is applied...... to the equilibrium state of a hydrocarbon mixture ina gas-condensate reservoir....

Liquid-liquid equilibrium of water + PEG 8000 + magnesium sulfate or sodium sulfate aqueous two-phase systems at 35°C: experimental determination and thermodynamic modeling

Directory of Open Access Journals (Sweden)

B. D. Castro

2005-09-01

Full Text Available Liquid-liquid extraction using aqueous two-phase systems is a highly efficient technique for separation and purification of biomolecules due to the mild properties of both liquid phases. Reliable data on the phase behavior of these systems are essential for the design and operation of new separation processes; several authors reported phase diagrams for polymer-polymer systems, but data on polymer-salt systems are still relatively scarce. In this work, experimental liquid-liquid equilibrium data on water + polyethylene glycol 8000 + magnesium sulfate and water + polyethylene glycol 8000 + sodium sulfate aqueous two-phase systems were obtained at 35°C. Both equilibrium phases were analyzed by lyophilization and ashing. Experimental results were correlated with a mass-fraction-based NRTL activity coefficient model. New interaction parameters were estimated with the Simplex method. The mean deviations between the experimental and calculated compositions in both equilibrium phases is about 2%.

On non-equilibrium states in QFT model with boundary interaction

International Nuclear Information System (INIS)

Bazhanov, Vladimir V.; Lukyanov, Sergei L.; Zamolodchikov, Alexander B.

1999-01-01

We prove that certain non-equilibrium expectation values in the boundary sine-Gordon model coincide with associated equilibrium-state expectation values in the systems which differ from the boundary sine-Gordon in that certain extra boundary degrees of freedom (q-oscillators) are added. Applications of this result to actual calculation of non-equilibrium characteristics of the boundary sine-Gordon model are also discussed

Isobaric (vapour + liquid) equilibrium for N-methyl-2-pyrrolidone with branched alcohols

International Nuclear Information System (INIS)

Gnanakumari, P.; Venkatesu, P.; Hsieh, C.-T.; Rao, M.V. Prabhakara; Lee, M.-J.; Lin, Ho-mu

2009-01-01

The (vapour + liquid) equilibrium (VLE) and boiling temperature measurements have been determined at 95.3 kPa as a function of composition for the binary liquid mixtures of N-methyl-2-pyrrolidone (NMP) with branched alcohols using a Swietoslawski-ebulliometer. The branched alcohols include 2-propanol, 2-butanol, 2-methyl-l- propanol, 2-methyl-2-propanol, and 3-methyl-l-butanol. The experimental temperature-composition (T-x) results were used to estimate Wilson parameters and then used to calculate the equilibrium vapour compositions and the excess Gibbs free energy at T = 298.15 K. The experimental temperature-composition (T, x) results were correlated with the Wilson, the NRTL and the UNIQUAC models. The experimental results are interpreted in terms of intermolecular interactions between constituent molecules

Non-equilibrium mean-field theories on scale-free networks

International Nuclear Information System (INIS)

Caccioli, Fabio; Dall'Asta, Luca

2009-01-01

Many non-equilibrium processes on scale-free networks present anomalous critical behavior that is not explained by standard mean-field theories. We propose a systematic method to derive stochastic equations for mean-field order parameters that implicitly account for the degree heterogeneity. The method is used to correctly predict the dynamical critical behavior of some binary spin models and reaction–diffusion processes. The validity of our non-equilibrium theory is further supported by showing its relation with the generalized Landau theory of equilibrium critical phenomena on networks

On the forces and fluxes in non-equilibrium thermodynamics

International Nuclear Information System (INIS)

Kitahara, Kazuo

1986-01-01

A formulation of non-equilibrium thermodynamics of continuum systems based on local equilibrium assumption is reported. Thermodynamic forces are defined from a generalized local entropy and irreversible fluxes are defined as non-advective parts of fluxes of conservative quantities. The validity of the general evolution criterion and its generalization is discussed. (author)

Supercooled dynamics of glass-forming liquids and polymers under hydrostatic pressure

Energy Technology Data Exchange (ETDEWEB)

Roland, C M [Naval Research Laboratory, Chemistry Division, Code 6120, Washington, DC 20375-5342 (United States); Hensel-Bielowka, S [Institute of Physics, Silesian University, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Paluch, M [Institute of Physics, Silesian University, ul. Uniwersytecka 4, 40-007 Katowice (Poland); Casalini, R [Naval Research Laboratory, Chemistry Division, Code 6120, Washington, DC 20375-5342 (United States); Chemistry Department, George Mason University, Fairfax, VA 22030 (United States)

2005-06-01

An intriguing problem in condensed matter physics is understanding the glass transition, in particular the dynamics in the equilibrium liquid close to vitrification. Recent advances have been made by using hydrostatic pressure as an experimental variable. These results are reviewed, with an emphasis in the insight provided into the mechanisms underlying the relaxation properties of glass-forming liquids and polymers.

Wall ablation of heated compound-materials into non-equilibrium discharge plasmas

Science.gov (United States)

Wang, Weizong; Kong, Linghan; Geng, Jinyue; Wei, Fuzhi; Xia, Guangqing

2017-02-01

The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

Energy Technology Data Exchange (ETDEWEB)

Duchemin, Ivan, E-mail: ivan.duchemin@cea.fr [INAC, SP2M/L-Sim, CEA/UJF Cedex 09, 38054 Grenoble (France); Jacquemin, Denis [Laboratoire CEISAM - UMR CNR 6230, Université de Nantes, 2 Rue de la Houssinière, BP 92208, 44322 Nantes Cedex 3 (France); Institut Universitaire de France, 1 rue Descartes, 75005 Paris Cedex 5 (France); Blase, Xavier [CNRS, Inst. NÉEL, F-38000 Grenoble (France); Univ. Grenoble Alpes, Inst. NÉEL, F-38000 Grenoble (France)

2016-04-28

We have implemented the polarizable continuum model within the framework of the many-body Green’s function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases of interest in organic optoelectronics, wet chemistry, and biology.

Condensed matter analogues of cosmology

Science.gov (United States)

Kibble, Tom; Srivastava, Ajit

2013-10-01

Ranjkesh, V Simonka, M Ambrozic, Z Bradac and S Kralj Morphogenesis of defects and tactoids during isotropic-nematic phase transition in self-assembled lyotropic chromonic liquid crystalsYoung-Ki Kim, Sergij V Shiyanovskii and Oleg D Lavrentovich Annihilation dynamics of stringlike topological defects in a nematic lyotropic liquid crystalR R Guimarães, R S Mendes, P R G Fernandes and H Mukai Duality between the dynamics of line-like brushes of point defects in 2D and strings in 3D in liquid crystalsSanatan Digal, Rajarshi Ray, P S Saumia and Ajit M Srivastava The multiuniverse transition in superfluid 3HeYury Bunkov Coherent topological defect dynamics and collective modes in superconductors and electronic crystalsD Mihailovic, T Mertelj, V V Kabanov and S Brazovskii Gaussianity revisited: exploring the Kibble-Zurek mechanism with superconducting ringsD J Weir, R Monaco, V P Koshelets, J Mygind and R J Rivers The Kibble-Zurek mechanism in a subcritical bifurcationM A Miranda, D Laroze and W González-Viñas Topological relics of symmetry breaking: winding numbers and scaling tilts from random vortex-antivortex pairsW H Zurek Causality and non-equilibrium second-order phase transitions in inhomogeneous systemsA del Campo, T W B Kibble and W H Zurek The role of causality in tunable Fermi gas condensatesJen-Tsung Hsiang, Chi-Yong Lin, Da-Shin Lee and Ray J Rivers Kibble-Zurek mechanism in a trapped ferromagnetic Bose-Einstein condensateHiroki Saito, Yuki Kawaguchi and Masahito Ueda D-brane solitons and boojums in field theory and Bose-Einstein condensatesKenichi Kasamatsu, Hiromitsu Takeuchi and Muneto Nitta Kibble-Zurek scaling and string-net coarsening in topologically ordered systemsAnushya Chandran, F J Burnell, Vedika Khemani and S L Sondhi Universal frozen spectra after time-dependent symmetry restoring phase transitionsFriedemann Queisser, Patrick Navez and Ralf Schützhold Microscopic theory of non-adiabatic response in real and imaginary timeC De Grandi, A

(Surfactant + polymer) interaction parameter studied by (liquid + liquid) equilibrium data of quaternary aqueous solution containing surfactant, polymer, and salt

Energy Technology Data Exchange (ETDEWEB)

Foroutan, Masumeh [Physical Chemistry Department, School of Chemistry, College of Science, University of Tehran, 14155-6455 Tehran (Iran, Islamic Republic of)], E-mail: foroutan@khayam.ut.ac.ir; Heidari, Nosrat; Mohammadlou, Maryam [Chemistry Department, Faculty of Science, Uremia University, Uremia (Iran, Islamic Republic of); Sojahrood, Amin Jafari [Physics Department, Faculty of Science, Uremia University, Uremia (Iran, Islamic Republic of)

2009-02-15

(Liquid + liquid) equilibrium (LLE) data of quaternary aqueous system containing polyoxyethylene (20) cetyl ether (with abbreviation name Brij 58, non-ionic surfactant), diammonium hydrogen phosphate, and poly ethylene glycol (PEG) with three molar masses {l_brace}M{sub W} = (1000, 6000, and 35,000) g . mol{sup -1}{r_brace} have been determined experimentally at T = 313.15 K. Furthermore, the Flory-Huggins theory with two electrostatic terms (Debye-Hueckel and Pitzer-Debye-Hueckel equations) have been used to calculate the phase behavior of the quaternary systems and (surfactant + polymer) interaction parameter as well as interaction parameters between other species. Temperature dependency of the parameters of the Flory-Huggins theory has been obtained. Also an effort have been done to show that addition of PEG as well as increasing the temperature can shift the binodal curves of the ternary aqueous system containing surfactant and salt to lower mole fraction of salt. Also the effect of polymer molar mass on the binodal diagram displacement has been discussed.

Non-Equilibrium Heavy Flavored Hadron Yields from Chemical Equilibrium Strangeness-Rich QGP

OpenAIRE

Kuznetsova, Inga; Rafelski, Johann

2008-01-01

The yields of heavy flavored hadrons emitted from strangeness-rich QGP are evaluated within chemical non-equilibrium statistical hadronization model, conserving strangeness, charm, and entropy yields at hadronization.

Temperature dependence of Self-diffusion coefficient (SDC) of liquid ...

African Journals Online (AJOL)

PROF HORSFALL

2018-04-09

Apr 9, 2018 ... inverse square relationship between the natural logarithm of self-diffusion ... using the Equilibrium Molecular Dynamics (MD) and ..... Density, and Viscosity of Liquid Aluminum and. Iron. J. Phys. Chem. Ref. Data 35 ... Atomic Diffusion in Condensed Matter. Nature. 381: 137. Einstein, A (1905). Annalen der ...

Introduction. Cosmology meets condensed matter.

Science.gov (United States)

Kibble, T W B; Pickett, G R

2008-08-28

At first sight, low-temperature condensed-matter physics and early Universe cosmology seem worlds apart. Yet, in the last few years a remarkable synergy has developed between the two. It has emerged that, in terms of their mathematical description, there are surprisingly close parallels between them. This interplay has been the subject of a very successful European Science Foundation (ESF) programme entitled COSLAB ('Cosmology in the Laboratory') that ran from 2001 to 2006, itself built on an earlier ESF network called TOPDEF ('Topological Defects: Non-equilibrium Field Theory in Particle Physics, Condensed Matter and Cosmology'). The articles presented in this issue of Philosophical Transactions A are based on talks given at the Royal Society Discussion Meeting 'Cosmology meets condensed matter', held on 28 and 29 January 2008. Many of the speakers had participated earlier in the COSLAB programme, but the strength of the field is illustrated by the presence also of quite a few new participants.

Stochastic linearization of turbulent dynamics of dispersive waves in equilibrium and non-equilibrium state

International Nuclear Information System (INIS)

Jiang, Shixiao W; Lu, Haihao; Zhou, Douglas; Cai, David

2016-01-01

Characterizing dispersive wave turbulence in the long time dynamics is central to understanding of many natural phenomena, e.g., in atmosphere ocean dynamics, nonlinear optics, and plasma physics. Using the β -Fermi–Pasta–Ulam nonlinear system as a prototypical example, we show that in thermal equilibrium and non-equilibrium steady state the turbulent state even in the strongly nonlinear regime possesses an effective linear stochastic structure in renormalized normal variables. In this framework, we can well characterize the spatiotemporal dynamics, which are dominated by long-wavelength renormalized waves. We further demonstrate that the energy flux is nearly saturated by the long-wavelength renormalized waves in non-equilibrium steady state. The scenario of such effective linear stochastic dynamics can be extended to study turbulent states in other nonlinear wave systems. (paper)

Bio-oil fractionation and condensation

Science.gov (United States)

Brown, Robert C; Jones, Samuel T; Pollard, Anthony

2013-07-02

A method of fractionating bio-oil vapors which involves providing bio-oil vapors comprising bio-oil constituents is described. The bio-oil vapors are cooled in a first stage which comprises a condenser having passages for the bio-oil separated by a heat conducting wall from passages for a coolant. The coolant in the condenser of the first stage is maintained at a substantially constant temperature, set at a temperature in the range of 75 to 100.degree. C., to condense a first liquid fraction of liquefied bio-oil constituents in the condenser of the first stage. The first liquid fraction of liquified bio-oil constituents from the condenser in the first stage is collected. Also described are steps for subsequently recovering further liquid fractions of liquefied bio-oil constituents. Particular compositions of bio-oil condensation products are also described.

THE LIQUIDITY RATIOS AND THEIR SIGNIFICANCE IN THE FINANCIAL EQUILIBRIUM OF THE FIRMS

OpenAIRE

Ciprian Dan COSTEA; Florin HOSTIUC

2009-01-01

The year of 2008 was an important inflection point of the world’s economy evolution. Most of the economists talk about a banking crisis, some of them talk about a financial crisis, and a part of them agree that we are facing also a liquidity crisis. Following this idea, the objective of this working paper is to analyze the liquidity ratios and their significance in the financial equilibrium of the firms. The working paper points out the most important liquidity ratios: general liquidity ratio...

Spectral non-equilibrium property in homogeneous isotropic turbulence and its implication in subgrid-scale modeling

Energy Technology Data Exchange (ETDEWEB)

Fang, Le [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); Zhu, Ying [Laboratory of Mathematics and Physics, Ecole Centrale de Pékin, Beihang University, Beijing 100191 (China); National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Liu, Yangwei, E-mail: liuyangwei@126.com [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China); Lu, Lipeng [National Key Laboratory of Science and Technology on Aero-Engine Aero-Thermodynamics, School of Energy and Power Engineering, Beihang University, Beijing 100191 (China)

2015-10-09

The non-equilibrium property in turbulence is a non-negligible problem in large-eddy simulation but has not yet been systematically considered. The generalization from equilibrium turbulence to non-equilibrium turbulence requires a clear recognition of the non-equilibrium property. As a preliminary step of this recognition, the present letter defines a typical non-equilibrium process, that is, the spectral non-equilibrium process, in homogeneous isotropic turbulence. It is then theoretically investigated by employing the skewness of grid-scale velocity gradient, which permits the decomposition of resolved velocity field into an equilibrium one and a time-reversed one. Based on this decomposition, an improved Smagorinsky model is proposed to correct the non-equilibrium behavior of the traditional Smagorinsky model. The present study is expected to shed light on the future studies of more generalized non-equilibrium turbulent flows. - Highlights: • A spectral non-equilibrium process in isotropic turbulence is defined theoretically. • A decomposition method is proposed to divide a non-equilibrium turbulence field. • An improved Smagorinsky model is proposed to correct the non-equilibrium behavior.

Topological order and thermal equilibrium in polariton condensates

Science.gov (United States)

Caputo, Davide; Ballarini, Dario; Dagvadorj, Galbadrakh; Sánchez Muñoz, Carlos; de Giorgi, Milena; Dominici, Lorenzo; West, Kenneth; Pfeiffer, Loren N.; Gigli, Giuseppe; Laussy, Fabrice P.; Szymańska, Marzena H.; Sanvitto, Daniele

2018-02-01

The Berezinskii-Kosterlitz-Thouless phase transition from a disordered to a quasi-ordered state, mediated by the proliferation of topological defects in two dimensions, governs seemingly remote physical systems ranging from liquid helium, ultracold atoms and superconducting thin films to ensembles of spins. Here we observe such a transition in a short-lived gas of exciton-polaritons, bosonic light-matter particles in semiconductor microcavities. The observed quasi-ordered phase, characteristic for an equilibrium two-dimensional bosonic gas, with a decay of coherence in both spatial and temporal domains with the same algebraic exponent, is reproduced with numerical solutions of stochastic dynamics, proving that the mechanism of pairing of the topological defects (vortices) is responsible for the transition to the algebraic order. This is made possible thanks to long polariton lifetimes in high-quality samples and in a reservoir-free region. Our results show that the joint measurement of coherence both in space and time is required to characterize driven-dissipative phase transitions and enable the investigation of topological ordering in open systems.

Topological order and thermal equilibrium in polariton condensates.

Science.gov (United States)

Caputo, Davide; Ballarini, Dario; Dagvadorj, Galbadrakh; Sánchez Muñoz, Carlos; De Giorgi, Milena; Dominici, Lorenzo; West, Kenneth; Pfeiffer, Loren N; Gigli, Giuseppe; Laussy, Fabrice P; Szymańska, Marzena H; Sanvitto, Daniele

2018-02-01

The Berezinskii-Kosterlitz-Thouless phase transition from a disordered to a quasi-ordered state, mediated by the proliferation of topological defects in two dimensions, governs seemingly remote physical systems ranging from liquid helium, ultracold atoms and superconducting thin films to ensembles of spins. Here we observe such a transition in a short-lived gas of exciton-polaritons, bosonic light-matter particles in semiconductor microcavities. The observed quasi-ordered phase, characteristic for an equilibrium two-dimensional bosonic gas, with a decay of coherence in both spatial and temporal domains with the same algebraic exponent, is reproduced with numerical solutions of stochastic dynamics, proving that the mechanism of pairing of the topological defects (vortices) is responsible for the transition to the algebraic order. This is made possible thanks to long polariton lifetimes in high-quality samples and in a reservoir-free region. Our results show that the joint measurement of coherence both in space and time is required to characterize driven-dissipative phase transitions and enable the investigation of topological ordering in open systems.

Thermodynamics of binary mixtures of N-methyl-2-pyrrolidinone and ketone. Experimental results and modelling of the (solid + liquid) equilibrium and the (vapour + liquid) equilibrium. The modified UNIFAC (Do) model characterization

International Nuclear Information System (INIS)

Domanska, Urszula; Lachwa, Joanna

2005-01-01

The (solid + liquid) equilibrium (SLE) of eight binary systems containing N-methyl-2-pyrrolidinone (NMP) with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) were carried out by using a dynamic method from T = 200 K to the melting point of the NMP. The isothermal (vapour + liquid) equilibrium data (VLE) have been measured for three binary mixtures of NMP with 2-propanone, 3-pentanone and 2-hexanone at pressure range from p = 0 kPa to p = 115 kPa. Data were obtained at the temperature T = 333.15 K for the first system and at T = 373.15 K for the second two systems. The experimental results of SLE have been correlated using the binary parameters Wilson, UNIQUAC ASM and two modified NRTL equations. The root-mean-square deviations of the solubility temperatures for all the calculated values vary from (0.32 K to 0.68 K) and depend on the particular equation used. The data of VLE were correlated with one to three parameters in the Redlich-Kister expansion. Binary mixtures of NMP with (2-propanone, or 2-butanone, or 2-pentanone, or 3-pentanone, or cyclopentanone, or 2-hexanone, or 4-methyl-2-pentanone, or 3-heptanone) have been investigated in the framework of the modified UNIFAC (Do) model. The reported new interaction parameters for NMP-group (c-CONCH 3 ) and carbonyl group ( C=O) let the model consistently described a set of thermodynamic properties, including (solid + liquid) equilibrium (vapour + liquid) equilibrium, excess Gibbs energy and molar excess enthalpies of mixing. Our experimental and literature data of binary mixtures containing NMP and ketones were compared with the results of prediction with the modified UNIFAC (Do) model

The entropy concept for non-equilibrium states.

Science.gov (United States)

Lieb, Elliott H; Yngvason, Jakob

2013-10-08

In earlier work, we presented a foundation for the second law of classical thermodynamics in terms of the entropy principle. More precisely, we provided an empirically accessible axiomatic derivation of an entropy function defined on all equilibrium states of all systems that has the appropriate additivity and scaling properties, and whose increase is a necessary and sufficient condition for an adiabatic process between two states to be possible. Here, after a brief review of this approach, we address the question of defining entropy for non-equilibrium states. Our conclusion is that it is generally not possible to find a unique entropy that has all relevant physical properties. We do show, however, that one can define two entropy functions, called S - and S + , which, taken together, delimit the range of adiabatic processes that can occur between non-equilibrium states. The concept of comparability of states with respect to adiabatic changes plays an important role in our reasoning.

(Liquid + liquid) equilibrium of {water + phenol + (1-butanol, or 2-butanol, or tert-butanol)} systems

International Nuclear Information System (INIS)

Hadlich de Oliveira, Leonardo; Aznar, Martin

2010-01-01

(Liquid + liquid) equilibrium (LLE) and binodal curve data were determined for the systems (water + phenol + tert-butanol) at T = 298.15 K, (water + phenol + 2-butanol) and (water + phenol + 1-butanol) at T = 298.15 K and T = 313.15 K by the combined techniques of densimetry and refractometry. Type I curve (for tert-butanol) and Type II curves (for 1- and 2-butanol) were found. The data were correlated with the NRTL model and the parameters estimated present root mean square deviations below 2% for the system with tert-butanol and lower than 0.8% for the other systems.

Force-dominated non-equilibrium oxidation kinetics of tantalum

International Nuclear Information System (INIS)

Kar, Prasenjit; Wang, Ke; Liang, Hong

2008-01-01

Using a combined electrochemical and mechanical manipulation technique, we compared the equilibrium and non-equilibrium oxidation processes and states of tantalum. Experimentally, a setup was developed with an electrochemical system attached to a sliding mechanical configuration capable of friction force measurement. The surface chemistry of a sliding surface, i.e., tantalum, was modified through the electrolyte. The mechanically applied force was fixed and the dynamics of the surface was monitored in situ through a force sensor. The formation of non-equilibrium oxidation states of tantalum was found in oxidation limiting environment of acetic acid. An oxidative environment of deionized water saturated with KCl was used as comparison. We proposed a modified Arrhenius-Eyring equation in which the mechanical factor was considered. We found that the mechanical energy induced the non-stable-state reactions leading to metastable oxidation states of tantalum. This equation can be used to predict mechanochemical reactions that are important in many industrial applications

Relation between absorbed dose, charged particle equilibrium and nuclear transformations: A non-equilibrium thermodynamics point of view

International Nuclear Information System (INIS)

Alvarez-Romero, J. T.

2006-01-01

We present a discussion to show that the absorbed dose D is a time-dependent function. This time dependence is demonstrated based on the concepts of charged particle equilibrium and on radiation equilibrium within the context of thermodynamic non-equilibrium. In the latter, the time dependence is due to changes of the rest mass energy of the nuclei and elementary particles involved in the terms ΣQ and Q that appear in the definitions of energy imparted ε and energy deposit ε i , respectively. In fact, nothing is said about the averaging operation of the non-stochastic quantity mean energy imparted ε-bar, which is used in the definition of D according to ICRU 60. It is shown in this research that the averaging operation necessary to define the ε-bar employed to get D cannot be performed with an equilibrium statistical operator ρ(r) as could be expected. Rather, the operation has to be defined with a time-dependent non-equilibrium statistical operator (r, t) therefore, D is a time-dependent function D(r, t). (authors)

Strongly correlated Fermi-systems: Non-Fermi liquid behavior, quasiparticle effective mass and their interplay

Energy Technology Data Exchange (ETDEWEB)

Shaginyan, V.R. [Petersburg Nuclear Physics Institute, RAS, Gatchina 188300 (Russian Federation); Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel)], E-mail: vrshag@thd.pnpi.spb.ru; Amusia, M.Ya. [Racah Institute of Physics, Hebrew University, Jerusalem 91904 (Israel); Popov, K.G. [Komi Science Center, Ural Division, RAS, Syktyvkar 167982 (Russian Federation)

2009-06-15

Basing on the density functional theory of fermion condensation, we analyze the non-Fermi liquid behavior of strongly correlated Fermi-systems such as heavy-fermion metals. When deriving equations for the effective mass of quasiparticles, we consider solids with a lattice and homogeneous systems. We show that the low-temperature thermodynamic and transport properties are formed by quasiparticles, while the dependence of the effective mass on temperature, number density, magnetic fields, etc., gives rise to the non-Fermi liquid behavior. Our theoretical study of the heat capacity, magnetization, energy scales, the longitudinal magnetoresistance and magnetic entropy are in good agreement with the remarkable recent facts collected on the heavy-fermion metal YbRh{sub 2}Si{sub 2}.

Strongly correlated Fermi-systems: Non-Fermi liquid behavior, quasiparticle effective mass and their interplay

International Nuclear Information System (INIS)

Shaginyan, V.R.; Amusia, M.Ya.; Popov, K.G.

2009-01-01

Basing on the density functional theory of fermion condensation, we analyze the non-Fermi liquid behavior of strongly correlated Fermi-systems such as heavy-fermion metals. When deriving equations for the effective mass of quasiparticles, we consider solids with a lattice and homogeneous systems. We show that the low-temperature thermodynamic and transport properties are formed by quasiparticles, while the dependence of the effective mass on temperature, number density, magnetic fields, etc., gives rise to the non-Fermi liquid behavior. Our theoretical study of the heat capacity, magnetization, energy scales, the longitudinal magnetoresistance and magnetic entropy are in good agreement with the remarkable recent facts collected on the heavy-fermion metal YbRh 2 Si 2 .

Non-equilibrium scaling analysis of the Kondo model with voltage bias

International Nuclear Information System (INIS)

Fritsch, Peter; Kehrein, Stefan

2009-01-01

The quintessential description of Kondo physics in equilibrium is obtained within a scaling picture that shows the buildup of Kondo screening at low temperature. For the non-equilibrium Kondo model with a voltage bias, the key new feature are decoherence effects due to the current across the impurity. In the present paper, we show how one can develop a consistent framework for studying the non-equilibrium Kondo model within a scaling picture of infinitesimal unitary transformations (flow equations). Decoherence effects appear naturally in third order of the β-function and dominate the Hamiltonian flow for sufficiently large voltage bias. We work out the spin dynamics in non-equilibrium and compare it with finite temperature equilibrium results. In particular, we report on the behavior of the static spin susceptibility including leading logarithmic corrections and compare it with the celebrated equilibrium result as a function of temperature.

Phase equilibrium in systems with ionic liquids: An example for the downstream process of the Biphasic Acid Scavenging utilizing Ionic Liquids (BASIL) process. Part I: Experimental data

International Nuclear Information System (INIS)

Sahandzhieva, Katya; Maurer, Gerd

2012-01-01

Highlights: ► Phase equilibrium for a downstream process in sustainable chemical technology. ► Biphasic Acid Scavenging Utilizing Ionic Liquids (BASIL) Process. ► SLE, LLE, and SLLE of (NaCl + water + 1-propanol + 1-MIM) and its ternary subsystems. ► Experimental phase equilibrium data at temperatures between 298 K and 333 K. - Abstract: Experimental results are presented for the (liquid + liquid), (solid + liquid) and (solid + liquid + liquid) equilibria occurring in the downstream process of a typical example for the Biphasic Acid Scavenging Utilizing Ionic Liquids (BASIL)-processes. In a BASIL process an organic base is used to catalyze a chemical reaction and, at the same time, to scavenge an acid that is an undesired side product of that reaction. The particular example of a BASIL process treated here is the reaction of 1-butanol and acetylchloride to butylacetate and hydrochloric acid, where the acid is scavenged by the organic base 1-methyl imidazole (1-MIM) resulting in the ionic liquid 1-methyl imidazolium chloride. The reaction results in a two-phase system as butylacetate and the ionic liquid reveal a large liquid–liquid miscibility gap. The organic base has to be recovered. This is commonly achieved by treating the ionic liquid–rich liquid phase with an aqueous solution of sodium hydroxide (i.e., converting the ionic liquid to the organic base) and extracting the organic base by an appropriate organic solvent (e.g., 1-propanol). The work presented here deals in experimental work with the (liquid + liquid), (solid + liquid) and (solid + liquid + liquid) phase equilibria that are encountered in such extraction processes. Experimental results are reported for temperatures between about 298 K and 333 K: for the solubility of NaCl in several solvents (1-propanol, 1-MIM), (water + 1-MIM), (1-propanol + 1-MIM), (water + 1-propanol), and (water + 1-propanol + 1-MIM) and for the (liquid + liquid) equilibrium as well as for the (solid + liquid

Mapping Isobaric Aging onto the Equilibrium Phase Diagram

DEFF Research Database (Denmark)

Niss, Kristine

2017-01-01

The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts...... of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case—challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium...... states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single...

A two-temperature chemical non-equilibrium modeling of DC arc plasma

International Nuclear Information System (INIS)

Qian Haiyang; Wu Bin

2011-01-01

To a better understanding of non-equilibrium characteristics of DC arc plasma,a two-dimensional axisymmetric two-temperature chemical non-equilibrium (2T-NCE) model is applied for direct current arc argon plasma generator with water-cooled constrictor at atmospheric pressure. The results show that the electron temperature and heavy particle temperature has a relationship under different working parameters, indicating that DC arc plasma has a strong non-equilibrium characteristic, and the variation is obvious. (authors)

APPLICATION OF A GENERALIZED MAXIMUM LIKELIHOOD METHOD IN THE REDUCTION OF MULTICOMPONENT LIQUID-LIQUID EQUILIBRIUM DATA

Directory of Open Access Journals (Sweden)

L. STRAGEVITCH

1997-03-01

Full Text Available The equations of the method based on the maximum likelihood principle have been rewritten in a suitable generalized form to allow the use of any number of implicit constraints in the determination of model parameters from experimental data and from the associated experimental uncertainties. In addition to the use of any number of constraints, this method also allows data, with different numbers of constraints, to be reduced simultaneously. Application of the method is illustrated in the reduction of liquid-liquid equilibrium data of binary, ternary and quaternary systems simultaneously

Spin polarized semimagnetic exciton-polariton condensate in magnetic field.

Science.gov (United States)

Król, Mateusz; Mirek, Rafał; Lekenta, Katarzyna; Rousset, Jean-Guy; Stephan, Daniel; Nawrocki, Michał; Matuszewski, Michał; Szczytko, Jacek; Pacuski, Wojciech; Piętka, Barbara

2018-04-27

Owing to their integer spin, exciton-polaritons in microcavities can be used for observation of non-equilibrium Bose-Einstein condensation in solid state. However, spin-related phenomena of such condensates are difficult to explore due to the relatively small Zeeman effect of standard semiconductor microcavity systems and the strong tendency to sustain an equal population of two spin components, which precludes the observation of condensates with a well defined spin projection along the axis of the system. The enhancement of the Zeeman splitting can be achieved by introducing magnetic ions to the quantum wells, and consequently forming semimagnetic polaritons. In this system, increasing magnetic field can induce polariton condensation at constant excitation power. Here we evidence the spin polarization of a semimagnetic polaritons condensate exhibiting a circularly polarized emission over 95% even in a moderate magnetic field of about 3 T. Furthermore, we show that unlike nonmagnetic polaritons, an increase on excitation power results in an increase of the semimagnetic polaritons condensate spin polarization. These properties open new possibilities for testing theoretically predicted phenomena of spin polarized condensate.

Numerical analysis of a non equilibrium two-component two-compressible flow in porous media

KAUST Repository

Saad, Bilal Mohammed

2013-09-01

We propose and analyze a finite volume scheme to simulate a non equilibrium two components (water and hydrogen) two phase flow (liquid and gas) model. In this model, the assumption of local mass non equilibrium is ensured and thus the velocity of the mass exchange between dissolved hydrogen and hydrogen in the gas phase is supposed finite. The proposed finite volume scheme is fully implicit in time together with a phase-by-phase upwind approach in space and it is discretize the equations in their general form with gravity and capillary terms We show that the proposed scheme satisfies the maximum principle for the saturation and the concentration of the dissolved hydrogen. We establish stability results on the velocity of each phase and on the discrete gradient of the concentration. We show the convergence of a subsequence to a weak solution of the continuous equations as the size of the discretization tends to zero. At our knowledge, this is the first convergence result of finite volume scheme in the case of two component two phase compressible flow in several space dimensions.

Colloidal dispersions in external fields: from equilibrium to non-equilibrium

Science.gov (United States)

Lowen, Hartmut

2010-03-01

Dispersions of colloidal particles are excellent model systems of classical statistical mechanics in order to understand the principles of self-organization processes. Using an external field (e.g. electric or magnetic field) the effective interaction between the colloidal particles can be tailored and the system can be brought into non-equilibrium in a controlled way. Glass formation after an ultrafast quench in a two-dimensional superparamagnetic binary colloidal mixture [1,2] will be discussed as well as lane [3,4,5,6,7] and band [8] formation in mixtures of charged suspensions and dusty plasmas driven by an electric field. [4pt] References:[0pt] [1] L. Assoud, F. Ebert, P. Keim, R. Messina, G. Maret, H. Lowen, Phys. Rev. Letters 102, 238301 (2009). [0pt] [2] L. Assoud, F. Ebert, P. Keim, R. Messina, G. Maret, H. Lowen, J. Phys.: Condensed Matter 21, 464114 (2009). [0pt] [3] J. Dzubiella, G. P. Hoffmann, H. Lowen, Phys. Rev. E 65, 021402 (1-8) (2002). [0pt] [4] M. E. Leunissen, C. G. Christova, A. P. Hynninen, C. P. Royall, A. I. Campbell, A. Imhof, M. Dijkstra, R. van Roij, A. van Blaaderen, Nature 437, 235 (2005). [0pt] [5] M. Rex, H. Lowen, Phys. Rev. E 75, 051402 (2007). [0pt] [6] M. Rex, C. P. Royall, A. van Blaaderen, H. Lowen, Lane formation in driven colloidal mixtures: is it continuous or discontinuous?, http://arxiv.org/abs/0812.0908 [0pt] [7] K. R. Sutterlin, A. Wysocki, A. V. Ivlev, C. Rath, H. M. Thomas, M. Rubin-Zuzic, W. J. Goedheer, V. E. Fortov, A. M. Lipaev, V. I. Molotkov, O. F. Petrov, G. E. Morfill, H. Lowen, Phys. Rev. Letters 102, 085003 (2009). [0pt] [8] A. Wysocki, H. Lowen, Phys. Rev. E 79, 041408 (2009).

Equilibrium and surface stability of liquid dielectric interface in electrical and gravitational fields

Energy Technology Data Exchange (ETDEWEB)

Ievlev, I I; Isers, A B

1976-01-01

An examination is made of the problem of locating the stable equilibrium surface shape of the interface between two liquid, uniform, isotropic, ideal dielectrics subject to the force of gravity, surface tension, and electrical forces. The conditions for the equilibrium and surface stability of the interface were obtained from the minimum free energy principle. These conditions are used for solving problems on locating the stable equilibrium interface boundary between two dielectrics positioned between infinite charged vertical plates, between infinite vertical coaxial cylinders, between infinite grounded plates and two horizontal charged thin cylinders placed between them. 8 references, 4 figures.

Non-equilibrium Dynamics, Thermalization and Entropy Production

International Nuclear Information System (INIS)

Hinrichsen, Haye; Janotta, Peter; Gogolin, Christian

2011-01-01

This paper addresses fundamental aspects of statistical mechanics such as the motivation of a classical state space with spontaneous transitions, the meaning of non-equilibrium in the context of thermalization, and the justification of these concepts from the quantum-mechanical point of view. After an introductory part we focus on the problem of entropy production in non-equilibrium systems. In particular, the generally accepted formula for entropy production in the environment is analyzed from a critical perspective. It is shown that this formula is only valid in the limit of separated time scales of the system's and the environmental degrees of freedom. Finally, we present an alternative simple proof of the fluctuation theorem.

Bose-condensation through resonance decay

International Nuclear Information System (INIS)

Ornik, U.; Pluemer, M.; Strottman, D.

1993-04-01

We show that a system described by an equation of state which contains a high number of degrees of freedom (resonances) can create a considerable amount of superfluid (condensed) pions through the decay of short-lived resonances, if baryon number and entropy are large and the dense matter decouples from chemical equilibrium earlier than from thermal equilibrium. The system cools down faster in the presence of a condensate, an effect that may partially compensate the enhancement of the lifetime expected in the case of quark-gluon-plasma formation. (orig.). 3 figs

Modelling Thomson scattering for systems with non-equilibrium electron distributions

Directory of Open Access Journals (Sweden)

Chapman D.A.

2013-11-01

Full Text Available We investigate the effect of non-equilibrium electron distributions in the analysis of Thomson scattering for a range of conditions of interest to inertial confinement fusion experiments. Firstly, a generalised one-component model based on quantum statistical theory is given in the random phase approximation (RPA. The Chihara expression for electron-ion plasmas is then adapted to include the new non-equilibrium electron physics. The theoretical scattering spectra for both diffuse and dense plasmas in which non-equilibrium electron distributions are expected to arise are considered. We find that such distributions strongly influence the spectra and are hence an important consideration for accurately determining the plasma conditions.

Non-equilibrium plasma chemistry at high pressure and its applications

International Nuclear Information System (INIS)

Bai Xiyao; Zhang Zhitao; Bai Mindong; Zhu Qiaoying

2000-01-01

A review is presented of research and development of gas discharge and non-equilibrium plasma including, new ideas of non-equilibrium plasma at high gas pressure. With special technology, strong electric fields (>400 Td) can be achieved by which electrons are accelerated suddenly, becoming high energy electrons (> 10 eV) at high pressure. On impact with the electrons, the gas molecules dissociate into ions, atomic ions, atoms and free radicals, and new substances or molecules can be synthesized through custom design. Chemical reaction difficult to achieve by conventional method can be realized or accelerated. Non-equilibrium plasma chemistry at high pressure has wide application prospects

X-ray scattering studies of non-equilibrium ordering processes

International Nuclear Information System (INIS)

Nagler, S.E.

1990-01-01

We report on the progress of our project entitled ''X-ray Scattering of Non-Equilibrium Ordering Processes.'' During the past year we have made the first synchrotron measurements of ordering in Cu 3 Au have revealed the presence of an intermediate, non-equilibrium ordered state. Preliminary work involving x-ray magnetic scattering has been carried out. Work is continuing in these areas as well as on related problems. 5 refs

Analysis of non-equilibrium phenomena in inductively coupled plasma generators

Energy Technology Data Exchange (ETDEWEB)

Zhang, W.; Panesi, M., E-mail: mpanesi@illinois.edu [University of Illinois at Urbana-Champaign, Urbana, Illinois 61822 (United States); Lani, A. [Von Karman Institute for Fluid Dynamics, Rhode-Saint-Genèse (Belgium)

2016-07-15

This work addresses the modeling of non-equilibrium phenomena in inductively coupled plasma discharges. In the proposed computational model, the electromagnetic induction equation is solved together with the set of Navier-Stokes equations in order to compute the electromagnetic and flow fields, accounting for their mutual interaction. Semi-classical statistical thermodynamics is used to determine the plasma thermodynamic properties, while transport properties are obtained from kinetic principles, with the method of Chapman and Enskog. Particle ambipolar diffusive fluxes are found by solving the Stefan-Maxwell equations with a simple iterative method. Two physico-mathematical formulations are used to model the chemical reaction processes: (1) A Local Thermodynamics Equilibrium (LTE) formulation and (2) a thermo-chemical non-equilibrium (TCNEQ) formulation. In the TCNEQ model, thermal non-equilibrium between the translational energy mode of the gas and the vibrational energy mode of individual molecules is accounted for. The electronic states of the chemical species are assumed in equilibrium with the vibrational temperature, whereas the rotational energy mode is assumed to be equilibrated with translation. Three different physical models are used to account for the coupling of chemistry and energy transfer processes. Numerical simulations obtained with the LTE and TCNEQ formulations are used to characterize the extent of non-equilibrium of the flow inside the Plasmatron facility at the von Karman Institute. Each model was tested using different kinetic mechanisms to assess the sensitivity of the results to variations in the reaction parameters. A comparison of temperatures and composition profiles at the outlet of the torch demonstrates that the flow is in non-equilibrium for operating conditions characterized by pressures below 30 000 Pa, frequency 0.37 MHz, input power 80 kW, and mass flow 8 g/s.

Code-experiment comparison on wall condensation tests in the presence of non-condensable gases-Numerical calculations for containment studies

Energy Technology Data Exchange (ETDEWEB)

Malet, J., E-mail: jeanne.malet@irsn.fr [Institut de Radioprotection et de Surete Nucleaire (IRSN), PSN-RES, SCA, BP 68, 91192 Gif-sur-Yvette (France); Porcheron, E.; Dumay, F.; Vendel, J. [Institut de Radioprotection et de Surete Nucleaire (IRSN), PSN-RES, SCA, BP 68, 91192 Gif-sur-Yvette (France)

2012-12-15

Highlights: Black-Right-Pointing-Pointer Steam condensation on walls has been investigated in the TOSQAN vessel. Black-Right-Pointing-Pointer Experiments on 7 different tests have been performed. Black-Right-Pointing-Pointer Different steam injections and wall temperatures are used. Black-Right-Pointing-Pointer Simulations are performed in 2D using the TONUS code. Black-Right-Pointing-Pointer Code-experiments comparisons at many different locations show a good agreement. - Abstract: During the course of a severe Pressurized Water Reactor accident, pressurization of the containment occurs and hydrogen can be produced by the reactor core oxidation and distributed in the containment according to convection flows and wall condensation. Filmwise wall condensation in the presence of non-condensable gases is a subject of many interests and extensive studies have been performed in the past. Some empirical correlations have demonstrated their limit for extrapolation under different thermal-hydraulic conditions and at different geometries/scales. The French Institute for Radiological Protection and Nuclear Safety (IRSN) has developed a numerical tool and an experimental facility in order to investigate free convection flows in the presence of condensation. The objective of this paper is to present numerical results obtained on different wall condensation tests in 7 m{sup 3} volume vessel (TOSQAN facility), and to compare them with the experimental ones. Over eight tests are considered here, and code-experiment comparison is performed on many different locations, giving an extensive insight of the code assessment for air-steam mixture flows involving wall condensation in the presence of non-condensable gases.

Influence of arc current and pressure on non-chemical equilibrium air arc behavior

Science.gov (United States)

Yi, WU; Yufei, CUI; Jiawei, DUAN; Hao, SUN; Chunlin, WANG; Chunping, NIU

2018-01-01

The influence of arc current and pressure on the non-chemical equilibrium (non-CE) air arc behavior of a nozzle structure was investigated based on the self-consistent non-chemical equilibrium model. The arc behavior during both the arc burning and arc decay phases were discussed at different currents and different pressures. We also devised the concept of a non-equilibrium parameter for a better understanding of non-CE effects. During the arc burning phase, the increasing current leads to a decrease of the non-equilibrium parameter of the particles in the arc core, while the increasing pressure leads to an increase of the non-equilibrium parameter of the particles in the arc core. During the arc decay phase, the non-CE effect will decrease by increasing the arc burning current and the nozzle pressure. Three factors together—convection, diffusion and chemical reactions—influence non-CE behavior.

Isothermal (vapour + liquid) equilibrium data for binary systems of (n-hexane + CO2 or CHF3)

International Nuclear Information System (INIS)

Williams-Wynn, Mark D.; Naidoo, Paramespri; Ramjugernath, Deresh

2016-01-01

Highlights: • (Static-analytic + static-synthetic) phase equilibrium measurements. • Binary VLE data for (CO 2 + n-hexane) and (trifluoromethane + n-hexane). • Thermodynamic models were fitted to the experimental data. • Liquid–liquid immiscibility occurred with (trifluoromethane + n-hexane) system. - Abstract: The (vapour + liquid) equilibrium (VLE) was measured for the (carbon dioxide + n-hexane) binary system at temperatures between T = (303.1 and 323.1) K. In addition, VLE and (vapour + liquid + liquid) equilibria (VLLE) were determined for the (trifluoromethane + n-hexane) binary system at temperatures between T = (272.9 and 313.3) K and pressures in the range of P = (1.0 to 5.7) MPa. Measurements were undertaken in a static-analytic apparatus, with verification of experimental values undertaken using a static-synthetic equilibrium cell to measure bubble point pressures at several compositions. The phase equilibrium results were modelled with the Peng–Robinson equation of state with the Mathias–Copeman alpha function, coupled with the Wong–Sandler mixing rules. Regression of the data was performed with the NRTL and the UNIQUAC activity coefficient models with the Wong–Sandler mixing rules, and the performance of the models was compared. Critical loci for both systems were estimated, using the calculation procedures of Ungerer et al. and Heidemann and Khalil. For the (trifluoromethane + n-hexane) system, liquid–liquid immiscibility was experienced at the lowest temperature measured (T = 272.9 K). At higher temperatures, no immiscibility was visible during the measurements; however, the models continued to predict a miscibility gap.

Temperature control in molecular dynamic simulations of non-equilibrium processes

International Nuclear Information System (INIS)

Toton, Dawid; Lorenz, Christian D; Rompotis, Nikolaos; Martsinovich, Natalia; Kantorovich, Lev

2010-01-01

Thermostats are often used in various condensed matter problems, e.g. when a biological molecule undergoes a transformation in a solution, a crystal surface is irradiated with energetic particles, a crack propagates in a solid upon applied stress, two surfaces slide with respect to each other, an excited local phonon dissipates its energy into a crystal bulk, and so on. In all of these problems, as well as in many others, there is an energy transfer between different local parts of the entire system kept at a constant temperature. Very often, when modelling such processes using molecular dynamics simulations, thermostatting is done using strictly equilibrium approaches serving to describe the NVT ensemble. In this paper we critically discuss the applicability of such approaches to non-equilibrium problems, including those mentioned above, and stress that the correct temperature control can only be achieved if the method is based on the generalized Langevin equation (GLE). Specifically, we emphasize that a meaningful compromise between computational efficiency and a physically appropriate implementation of the NVT thermostat can be achieved, at least for solid state and surface problems, if the so-called stochastic boundary conditions (SBC), recently derived from the GLE (Kantorovich and Rompotis 2008 Phys. Rev. B 78 094305), are used. For SBC, the Langevin thermostat is only applied to the outer part of the simulated fragment of the entire system which borders the surrounding environment (not considered explicitly) serving as a heat bath. This point is illustrated by comparing the performance of the SBC and some of the equilibrium thermostats in two problems: (i) irradiation of the Si(001) surface with an energetic CaF 2 molecule using an ab initio density functional theory based method, and (ii) the tribology of two amorphous SiO 2 surfaces coated with self-assembled monolayers of methyl-terminated hydrocarbon alkoxylsilane molecules using a classical atomistic

Evaluating equilibrium and non-equilibrium transport of bromide and isoproturon in disturbed and undisturbed soil columns

Science.gov (United States)

Dousset, S.; Thevenot, M.; Pot, V.; Šimunek, J.; Andreux, F.

2007-12-01

In this study, displacement experiments of isoproturon were conducted in disturbed and undisturbed columns of a silty clay loam soil under similar rainfall intensities. Solute transport occurred under saturated conditions in the undisturbed soil and under unsaturated conditions in the sieved soil because of a greater bulk density of the compacted undisturbed soil compared to the sieved soil. The objective of this work was to determine transport characteristics of isoproturon relative to bromide tracer. Triplicate column experiments were performed with sieved (structure partially destroyed to simulate conventional tillage) and undisturbed (structure preserved) soils. Bromide experimental breakthrough curves were analyzed using convective-dispersive and dual-permeability (DP) models (HYDRUS-1D). Isoproturon breakthrough curves (BTCs) were analyzed using the DP model that considered either chemical equilibrium or non-equilibrium transport. The DP model described the bromide elution curves of the sieved soil columns well, whereas it overestimated the tailing of the bromide BTCs of the undisturbed soil columns. A higher degree of physical non-equilibrium was found in the undisturbed soil, where 56% of total water was contained in the slow-flow matrix, compared to 26% in the sieved soil. Isoproturon BTCs were best described in both sieved and undisturbed soil columns using the DP model combined with the chemical non-equilibrium. Higher degradation rates were obtained in the transport experiments than in batch studies, for both soils. This was likely caused by hysteresis in sorption of isoproturon. However, it cannot be ruled out that higher degradation rates were due, at least in part, to the adopted first-order model. Results showed that for similar rainfall intensity, physical and chemical non-equilibrium were greater in the saturated undisturbed soil than in the unsaturated sieved soil. Results also suggested faster transport of isoproturon in the undisturbed soil due

Light-induced electronic non-equilibrium in plasmonic particles.

Science.gov (United States)

Kornbluth, Mordechai; Nitzan, Abraham; Seideman, Tamar

2013-05-07

We consider the transient non-equilibrium electronic distribution that is created in a metal nanoparticle upon plasmon excitation. Following light absorption, the created plasmons decohere within a few femtoseconds, producing uncorrelated electron-hole pairs. The corresponding non-thermal electronic distribution evolves in response to the photo-exciting pulse and to subsequent relaxation processes. First, on the femtosecond timescale, the electronic subsystem relaxes to a Fermi-Dirac distribution characterized by an electronic temperature. Next, within picoseconds, thermalization with the underlying lattice phonons leads to a hot particle in internal equilibrium that subsequently equilibrates with the environment. Here we focus on the early stage of this multistep relaxation process, and on the properties of the ensuing non-equilibrium electronic distribution. We consider the form of this distribution as derived from the balance between the optical absorption and the subsequent relaxation processes, and discuss its implication for (a) heating of illuminated plasmonic particles, (b) the possibility to optically induce current in junctions, and (c) the prospect for experimental observation of such light-driven transport phenomena.

Communication: Influence of external static and alternating electric fields on water from long-time non-equilibrium ab initio molecular dynamics

Science.gov (United States)

Futera, Zdenek; English, Niall J.

2017-07-01

The response of water to externally applied electric fields is of central relevance in the modern world, where many extraneous electric fields are ubiquitous. Historically, the application of external fields in non-equilibrium molecular dynamics has been restricted, by and large, to relatively inexpensive, more or less sophisticated, empirical models. Here, we report long-time non-equilibrium ab initio molecular dynamics in both static and oscillating (time-dependent) external electric fields, therefore opening up a new vista in rigorous studies of electric-field effects on dynamical systems with the full arsenal of electronic-structure methods. In so doing, we apply this to liquid water with state-of-the-art non-local treatment of dispersion, and we compute a range of field effects on structural and dynamical properties, such as diffusivities and hydrogen-bond kinetics.

Core structure and dynamics of non-Abelian vortices in a biaxial nematic spinor Bose-Einstein condensate

Science.gov (United States)

Borgh, Magnus O.; Ruostekoski, Janne

2016-05-01

We demonstrate that multiple interaction-dependent defect core structures as well as dynamics of non-Abelian vortices can be realized in the biaxial nematic (BN) phase of a spin-2 atomic Bose-Einstein condensate (BEC). An experimentally simple protocol may be used to break degeneracy with the uniaxial nematic phase. We show that a discrete spin-space symmetry in the core may be reflected in a breaking of its spatial symmetry. The discrete symmetry of the BN order parameter leads to non-commuting vortex charges. We numerically simulate reconnection of non-Abelian vortices, demonstrating formation of the obligatory rung vortex. In addition to atomic BECs, non-Abelian vortices are theorized in, e.g., liquid crystals and cosmic strings. Our results suggest the BN spin-2 BEC as a prime candidate for their realization. We acknowledge financial support from the EPSRC.

NON-EQUILIBRIUM HELIUM IONIZATION IN AN MHD SIMULATION OF THE SOLAR ATMOSPHERE

International Nuclear Information System (INIS)

Golding, Thomas Peter; Carlsson, Mats; Leenaarts, Jorrit

2016-01-01

The ionization state of the gas in the dynamic solar chromosphere can depart strongly from the instantaneous statistical equilibrium commonly assumed in numerical modeling. We improve on earlier simulations of the solar atmosphere that only included non-equilibrium hydrogen ionization by performing a 2D radiation-magnetohydrodynamics simulation featuring non-equilibrium ionization of both hydrogen and helium. The simulation includes the effect of hydrogen Lyα and the EUV radiation from the corona on the ionization and heating of the atmosphere. Details on code implementation are given. We obtain helium ion fractions that are far from their equilibrium values. Comparison with models with local thermodynamic equilibrium (LTE) ionization shows that non-equilibrium helium ionization leads to higher temperatures in wavefronts and lower temperatures in the gas between shocks. Assuming LTE ionization results in a thermostat-like behavior with matter accumulating around the temperatures where the LTE ionization fractions change rapidly. Comparison of DEM curves computed from our models shows that non-equilibrium ionization leads to more radiating material in the temperature range 11–18 kK, compared to models with LTE helium ionization. We conclude that non-equilibrium helium ionization is important for the dynamics and thermal structure of the upper chromosphere and transition region. It might also help resolve the problem that intensities of chromospheric lines computed from current models are smaller than those observed

Equilibrium and non-equilibrium metal-ceramic interfaces

International Nuclear Information System (INIS)

Gao, Y.; Merkle, K.L.

1992-01-01

Metal-ceramic interfaces in thermodynamic equilibrium (Au/ZrO 2 ) and non-equilibrium (Au/MgO) have been studied by TEM and HREM. In the Au/ZrO 2 system, ZrO 2 precipitates formed by internal oxidation of a 7%Zr-Au alloy show a cubic ZrO 2 phase. It appears that formation of the cubic ZrO 2 is facilitated by alignment with the Au matrix. Most of the ZrO 2 precipitates have a perfect cube-on-cube orientation relationship with the Au matrix. The large number of interfacial steps observed in a short-time annealing experiment indicate that the precipitates are formed by the ledge growth mechanism. The lowest interfacial energy is indicated by the dominance of closed-packed [111] Au/ZrO 2 interfaces. In the Au/MgO system, composite films with small MgO smoke particles embedded in a Au matrix were prepared by a thin film technique. HREM observations show that most of the Au/MgO interfaces have a strong tendency to maintain a dense lattice structure across the interfaces irrespective of whether the interfaces are incoherent or semi-coherent. This paper reports that this indicates that there may be a relatively strong bond between MgO and Au

Mapping Isobaric Aging onto the Equilibrium Phase Diagram.

Science.gov (United States)

Niss, Kristine

2017-09-15

The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case-challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single structural parameter, referred to as an effective temperature.

Influence of non-ideality on condensation to aerosol

Directory of Open Access Journals (Sweden)

S. Compernolle

2009-02-01

Full Text Available Secondary organic aerosol (SOA is a complex mixture of water and organic molecules. Its composition is determined by the presence of semi-volatile or non-volatile compounds, their saturation vapor pressure and activity coefficient. The activity coefficient is a non-ideality effect and is a complex function of SOA composition. In a previous publication, the detailed chemical mechanism (DCM for α-pinene oxidation and subsequent aerosol formation BOREAM was presented. In this work, we investigate with this DCM the impact of non-ideality by simulating smog chamber experiments for α-pinene degradation and aerosol formation and taking the activity coefficient into account of all molecules in the aerosol phase. Several versions of the UNIFAC method are tested for this purpose, and missing parameters for e.g. hydroperoxides and nitrates are inferred from fittings to activity coefficient data generated using the SPARC model. Alternative approaches to deal with these missing parameters are also tested, as well as an activity coefficient calculation method based on Hansen solubility parameters (HSP. It turns out that for most experiments, non-ideality has only a limited impact on the interaction between the organic molecules, and therefore on SOA yields and composition, when water uptake is ignored. The reason is that often, the activity coefficient is on average close to 1 and, specifically for high-VOC experiments, partitioning is not very sensitive on the activity coefficient because the equilibrium is shifted strongly towards condensation. Still, for ozonolysis experiments with low amounts of volatile organic carbon (low-VOC, the UNIFAC parameterization of Raatikainen et al. leads to significantly higher SOA yields (by up to a factor 1.6 compared to the ideal case and to other parameterizations. Water uptake is model dependent, in the order: ideal > UNIFAC-Raatikainen > UNIFAC-Peng > UNIFAC-Hansen ≈ UNIFAC-Magnussen ≈ UNIFAC-Ming. In the absence

Fragmentation function in non-equilibrium QCD using closed-time path integral formalism

International Nuclear Information System (INIS)

Nayak, Gouranga C.

2009-01-01

In this paper we implement the Schwinger-Keldysh closed-time path integral formalism in non-equilibrium QCD in accordance to the definition of the Collins-Soper fragmentation function. We consider a high-p T parton in QCD medium at initial time τ 0 with an arbitrary non-equilibrium (non-isotropic) distribution function f(vector (p)) fragmenting to a hadron. We formulate the parton-to-hadron fragmentation function in non-equilibrium QCD in the light-cone quantization formalism. It may be possible to include final-state interactions with the medium via a modification of the Wilson lines in this definition of the non-equilibrium fragmentation function. This may be relevant to the study of hadron production from a quark-gluon plasma at RHIC and LHC. (orig.)

Electrolytes: transport properties and non-equilibrium thermodynamics

International Nuclear Information System (INIS)

Miller, D.G.

1980-12-01

This paper presents a review on the application of non-equilibrium thermodynamics to transport in electrolyte solutions, and some recent experimental work and results for mutual diffusion in electrolyte solutions

High Pressure Vapor-Liquid Equilibrium of Supercritical Carbon Dioxide + n-Hexane System

Institute of Scientific and Technical Information of China (English)

YU Jinglin; TIAN Yiling; ZHU Rongjiao; LIU Zhihua

2006-01-01

Vapor-liquid equilibrium data of supercritical carbon dioxide + n-hexane system were measured at 313.15 K,333.15 K,353.15 K,and 373.15 K and their molar volumes and densities were measured both in the subcritical and supercritical regions ranging from 2.15 to 12.63 MPa using a variable-volume autoclave.The thermodynamic properties including mole fractions,densities,and molar volumes of the system were calculated with an equation of state by Heilig and Franck,in which a repulsion term and a square-well potential attraction term for intermolecular interaction was used.The pairwise combination rule was used to calculate the square-well molecular interaction potential and three adjustable parameters (ω,kε,kσ) were obtained.The Heilig-Franck equation of state is found to have good correlation with binary vapor-liquid equilibrium data of the carbon dioxide + n-hexane system.

Investigation on non-equilibrium performance of composite adsorbent for resorption refrigeration

International Nuclear Information System (INIS)

Jiang, L.; Wang, L.W.; Zhou, Z.S.; Zhu, F.Q.; Wang, R.Z.

2016-01-01

Highlights: • Performance of resorption refrigeration is analyzed based on non-equilibrium reaction process. • The porous matrix improves the heat and mass performance of composite adsorbent. • The actual desorption process has the significant hysteresis phenomenon. • The highest energy efficiency of Manganese and Calcium chloride working pair is 0.272. - Abstract: The aims of this paper is to indicate that the non-equilibrium adsorption testing results is more suitable for prediction of real refrigeration performance than equilibrium data. Therefore, a test unit is constructed to test the non-equilibrium performance of different composite adsorbents. The adsorption and desorption quantity are measured and calculated by smart differential pressure transmitter. The non-equilibrium adsorption performances of working pair of Manganese chloride–ammonia, Calcium chloride–ammonia and Ammonium chloride–ammonia are investigated respectively. Results show that hysteresis phenomena happens obviously in non-equilibrium desorption process, which is related with dual variables rather than single variable. Based on the testing results, resorption refrigeration performance is analyzed, in which Manganese chloride is used as high temperature salt (HTS), and Calcium chloride, Ammonium chloride are selected as low temperature salt (LTS) for comparison. Results show that the highest COP and SCP for resorption refrigeration are about 0.272 and 45.6 W/kg, respectively. Performance of Manganese chloride–Calcium chloride and Manganese chloride–Ammonium chloride working pairs are much lower when compared with theoretical data.

Bioanalysis of underivatized amino acids in non-invasive exhaled breath condensate samples using liquid chromatography coupled with tandem mass spectrometry.

Science.gov (United States)

Konieczna, Lucyna; Pyszka, Magdalena; Okońska, Magdalena; Niedźwiecki, Maciej; Bączek, Tomasz

2018-03-23

Exhaled breath condensate (EBC) is receiving increased attention as a novel, entirely non-invasive technique for collecting biomarker samples. This increased attention is due to the fact that EBC is simple, effort independent, rapid, can be repeated frequently, and can be performed on young children and patients suffering from a variety of diseases. By having a subject breathe tidally through a cooling system for 15-20 min, a sufficient amount of condensate is collected for analysis of biomarkers in clinical studies. However, bioanalysis of EBC involves an unavoidable sample preparation step due to the low concentration of its components. Thus, there is a need for a new and more sensitive analytical method of assessing EBC samples. While researchers have considered analyses of single and small quantities of amino acids - for example, those connected with leukemia - no one has previously attempted to simultaneously analyze a panel of 23 amino acids. Moreover, the present study is well-justified, as prior studies focusing on single amino acids and leukemia at the moment of diagnosis and during chemotherapy (33 days of treatment) are inconsistent. In the present study, amino acids were separated using an XBridge Amide column (3 mm × 100 mm, 3.5 μm). The mobile phase consisted of 10 mM of ammonium buffer in water with a pH of 3 (Phase A) and 10 mM ammonium buffer in acetonitrile (Phase B) under gradient program elution. The analytes were detected in electrospray positive ionization mode. Under optimal conditions, the proposed method exhibited limits of quantification (LOQ) in the range of 0.05-0.5 ng/mL, and good linearity, with the determination coefficient (R 2 ) falling between 0.9904 and 0.9998. The accuracy in human exhaled breath condensate samples ranged between 93.3-113.3% for the 23 studied amino acids, with intra- and inter-day coefficient of variation (CVs) of 0.13-9.92% and 0.17-10.53%, respectively. To demonstrate the liquid

Organic condensation: a vital link connecting aerosol formation to cloud condensation nuclei (CCN) concentrations

Science.gov (United States)

Riipinen, I.; Pierce, J. R.; Yli-Juuti, T.; Nieminen, T.; Häkkinen, S.; Ehn, M.; Junninen, H.; Lehtipalo, K.; Petäjä, T.; Slowik, J.; Chang, R.; Shantz, N. C.; Abbatt, J.; Leaitch, W. R.; Kerminen, V.-M.; Worsnop, D. R.; Pandis, S. N.; Donahue, N. M.; Kulmala, M.

2011-04-01

Atmospheric aerosol particles influence global climate as well as impair air quality through their effects on atmospheric visibility and human health. Ultrafine (<100 nm) particles often dominate aerosol numbers, and nucleation of atmospheric vapors is an important source of these particles. To have climatic relevance, however, the freshly nucleated particles need to grow in size. We combine observations from two continental sites (Egbert, Canada and Hyytiälä, Finland) to show that condensation of organic vapors is a crucial factor governing the lifetimes and climatic importance of the smallest atmospheric particles. We model the observed ultrafine aerosol growth with a simplified scheme approximating the condensing species as a mixture of effectively non-volatile and semi-volatile species, demonstrate that state-of-the-art organic gas-particle partitioning models fail to reproduce the observations, and propose a modeling approach that is consistent with the measurements. We find that roughly half of the mass of the condensing mass needs to be distributed proportional to the aerosol surface area (thus implying that the condensation is governed by gas-phase concentration rather than the equilibrium vapour pressure) to explain the observed aerosol growth. We demonstrate the large sensitivity of predicted number concentrations of cloud condensation nuclei (CCN) to these interactions between organic vapors and the smallest atmospheric nanoparticles - highlighting the need for representing this process in global climate models.

Simulation of condensation and liquid break-up on a micro-object with upper and lower movable walls using Lattice Boltzmann Method

Science.gov (United States)

Asadollahi, Arash; Esmaeeli, Asghar

2018-05-01

In this paper, two-dimensional condensation, liquid behavior on the micro-object with moving walls, and breaking up have been investigated by the Shan and Chen multiphase Lattice Boltzmann Method (LBM), which has the ability to incorporate interactions such as fluid-fluid, and also fluid-solid. Four test cases with low, medium, high, and very high Weber numbers are investigated considering the velocity control of walls in detail. Vertical spread fraction n / h (where n is the minimum liquid thickness after deformation and h is the maximum length of liquid deformation in each time) decreases quickly indicating the liquid tendency to breakup in all cases. Except for the case of a very high Weber number, the separation will not happen and finally after fluctuation the fixed bulk of condensed liquid will be placed on the side of the micro-object. The maximum value of reaction parameter h / d becomes larger as the Weber number increases. It is shown that an increase in the Weber number leads to liquid breakup and this mechanism provides an effective way for removing the condensed liquid from micro-devices surfaces. The results by LBM reveal the liquid evolutionary behavior and breaking up over time and show that it is a controllable situation by manipulating the walls velocity. Moreover, it can be used in order to centralize and aggregate all the liquid to a specific direction.

Numerical investigation of convective condensation with the presence of non-condensable gases in a vertical tube

Energy Technology Data Exchange (ETDEWEB)

Fu, Wen [Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Li, Xiaowei, E-mail: lixiaowei@tsinghua.edu.cn [Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Wu, Xinxin [Key Laboratory of Advanced Reactor Engineering and Safety of Ministry of Education, Collaborative Innovation Center of Advanced Nuclear Energy Technology, Institute of Nuclear and New Energy Technology, Tsinghua University, Beijing 100084 (China); Corradini, Michael L. [Department of Engineering Physics, University of Wisconsin-Madison, 1500 Engineering Drive, Madison, WI 53706 (United States)

2016-02-15

Highlights: • Gas mixture convective condensation in vertical tubes were simulated using FLUENT code. • The simulation results matched well with experimental data. • The detailed velocity field and species distribution were investigated. • The suction factors predicted by CFD models were compared with the classical correlations. • The effects of air and helium on steam condensation were compared. - Abstract: Steam condensation is degraded when non-condensable gases are present. Convective condensation of steam–air mixture and steam–helium mixture in vertical tubes were simulated using the CFD code FLUENT. The condensation process was modeled by defining source terms for the mass, momentum, species and energy conservation equations. Several cases with various steam mass fractions were simulated, the results matched well with the experimental data. Detailed velocity field and species distribution were investigated. The radial velocity was clearly represented, and the suction effect was modeled, which needs to be accounted for when using the heat and mass transfer analogy theory. The Nusselt and Sherwood numbers predicted by CFD models were compared with the classical correlations, and the suction effects were analyzed. The suction effect is proportional to steam mass fraction, while the suction factor is little affected by the Reynolds number. For forced convection flow in this work, the buoyant force can be neglected, so the larger diffusion coefficient of steam–helium mixture would improve the steam condensation compared to steam–air mixture. The condensation mass fluxes of steam–helium mixture and steam–air mixture are almost the same at relatively high steam inlet molar fraction (≥90%).

The Use of VMD Data/Model to Test Different Thermodynamic Models for Vapour-Liquid Equilibrium

DEFF Research Database (Denmark)

Abildskov, Jens; Azquierdo-Gil, M.A.; Jonsson, Gunnar Eigil

2004-01-01

Vacuum membrane distillation (VMD) has been studied as a separation process to remove volatile organic compounds from aqueous streams. A vapour pressure difference across a microporous hydrophobic membrane is the driving force for the mass transport through the membrane pores (this transport take...... place in vapour phase). The vapour pressure difference is obtained in VMD processes by applying a vacuum on one side of the membrane. The membrane acts as a mere support for the liquid-vapour equilibrium. The evaporation of the liquid stream takes place on the feed side of the membrane...... values; membrane type: PTFE/PP/PVDF; feed flow rate; feed temperature. A comparison is made between different thermodynamic models for calculating the vapour-liquid equilibrium at the membrane/pore interface. (C) 2004 Elsevier B.V. All rights reserved....

Initial conditions of non-equilibrium quark-gluon plasma evolution

International Nuclear Information System (INIS)

Shmatov, S.V.

2002-01-01

In accordance with the hydrodynamic Bjorken limit, the initial energy density and temperature for a chemical non-equilibrium quark-gluon system formed in the heavy ion collisions at the LHC are computed. The dependence of this value on the type of colliding nuclei and the collision impact parameter is studied. The principle possibility of the non-equilibrium quark-gluon plasma (QGP) formation in the light nuclei collisions is shown. The life time of QGP is calculated. (author)

Non-Equilibrium Liouville and Wigner Equations: Moment Methods and Long-Time Approximations

Directory of Open Access Journals (Sweden)

Ramon F. Álvarez-Estrada

2014-03-01

Full Text Available We treat the non-equilibrium evolution of an open one-particle statistical system, subject to a potential and to an external “heat bath” (hb with negligible dissipation. For the classical equilibrium Boltzmann distribution, Wc,eq, a non-equilibrium three-term hierarchy for moments fulfills Hermiticity, which allows one to justify an approximate long-time thermalization. That gives partial dynamical support to Boltzmann’s Wc,eq, out of the set of classical stationary distributions, Wc;st, also investigated here, for which neither Hermiticity nor that thermalization hold, in general. For closed classical many-particle systems without hb (by using Wc,eq, the long-time approximate thermalization for three-term hierarchies is justified and yields an approximate Lyapunov function and an arrow of time. The largest part of the work treats an open quantum one-particle system through the non-equilibrium Wigner function, W. Weq for a repulsive finite square well is reported. W’s (< 0 in various cases are assumed to be quasi-definite functionals regarding their dependences on momentum (q. That yields orthogonal polynomials, HQ,n(q, for Weq (and for stationary Wst, non-equilibrium moments, Wn, of W and hierarchies. For the first excited state of the harmonic oscillator, its stationary Wst is a quasi-definite functional, and the orthogonal polynomials and three-term hierarchy are studied. In general, the non-equilibrium quantum hierarchies (associated with Weq for the Wn’s are not three-term ones. As an illustration, we outline a non-equilibrium four-term hierarchy and its solution in terms of generalized operator continued fractions. Such structures also allow one to formulate long-time approximations, but make it more difficult to justify thermalization. For large thermal and de Broglie wavelengths, the dominant Weq and a non-equilibrium equation for W are reported: the non-equilibrium hierarchy could plausibly be a three-term one and possibly not

Condensation and critical exponents of an ideal non-Abelian gas

Science.gov (United States)

Talaei, Zahra; Mirza, Behrouz; Mohammadzadeh, Hosein

2017-11-01

We investigate an ideal gas obeying non-Abelian statistics and derive the expressions for some thermodynamic quantities. It is found that thermodynamic quantities are finite at the condensation point where their derivatives diverge and, near this point, they behave as \\vert T-Tc\\vert^{-ρ} in which Tc denotes the condensation temperature and ρ is a critical exponent. The critical exponents related to the heat capacity and compressibility are obtained by fitting numerical results and others are obtained using the scaling law hypothesis for a three-dimensional non-Abelian ideal gas. This set of critical exponents introduces a new universality class.

Route to non-Abelian quantum turbulence in spinor Bose-Einstein condensates

Science.gov (United States)

Mawson, Thomas; Ruben, Gary; Simula, Tapio

2015-06-01

We have studied computationally the collision dynamics of spin-2 Bose-Einstein condensates initially confined in a triple-well trap. Depending on the phase structure of the initial-state spinor wave function, the collision of the three condensate fragments produces one of many possible vortex-antivortex lattices, after which the system transitions to quantum turbulence. We find that the emerging vortex lattice structures can be described in terms of multiwave interference. We show that the three-fragment collisions can be used to systematically produce staggered vortex-antivortex honeycomb lattices of fractional-charge vortices, whose collision dynamics are known to be non-Abelian. Such condensate collider experiments could potentially be used as a controllable pathway to generating non-Abelian superfluid turbulence with networks of vortex rungs.

Self-assembly and transformation of hybrid nano-objects and nanostructures under equilibrium and non-equilibrium conditions

Science.gov (United States)

Mann, Stephen

2009-10-01

Understanding how chemically derived processes control the construction and organization of matter across extended and multiple length scales is of growing interest in many areas of materials research. Here we review present equilibrium and non-equilibrium self-assembly approaches to the synthetic construction of discrete hybrid (inorganic-organic) nano-objects and higher-level nanostructured networks. We examine a range of synthetic modalities under equilibrium conditions that give rise to integrative self-assembly (supramolecular wrapping, nanoscale incarceration and nanostructure templating) or higher-order self-assembly (programmed/directed aggregation). We contrast these strategies with processes of transformative self-assembly that use self-organizing media, reaction-diffusion systems and coupled mesophases to produce higher-level hybrid structures under non-equilibrium conditions. Key elements of the constructional codes associated with these processes are identified with regard to existing theoretical knowledge, and presented as a heuristic guideline for the rational design of hybrid nano-objects and nanomaterials.

Equilibrium vapor-liquid-crystal in Sn-In-P system

International Nuclear Information System (INIS)

Ermilin, V.N.; Selin, A.A.; Khukhryanskij, Yu.P.

1991-01-01

Using flow method the dependence of phosphorus vapor pressure was investigated on the composition of equilibrium with indium phosphide crystal of Sn-In-P system melt (x P l ≤x In l ) and temperature (in the range 918 to 978 K). Its multiplicative character conditioned by change in phosphorus solubility in liquid phase and reconstruction of internal structure of the melt was established. It is revealed that in the considered melts phosphorus is in atomic form (possible as In n P complexes)

Identifying Liquid-Gas System Misconceptions and Addressing Them Using a Laboratory Exercise on Pressure-Temperature Diagrams of a Mixed Gas Involving Liquid-Vapor Equilibrium

Science.gov (United States)

Yoshikawa, Masahiro; Koga, Nobuyoshi

2016-01-01

This study focuses on students' understandings of a liquid-gas system with liquid-vapor equilibrium in a closed system using a pressure-temperature ("P-T") diagram. By administrating three assessment questions concerning the "P-T" diagrams of liquid-gas systems to students at the beginning of undergraduate general chemistry…

Non-equilibrium umbrella sampling applied to force spectroscopy of soft matter.

Science.gov (United States)

Gao, Y X; Wang, G M; Williams, D R M; Williams, Stephen R; Evans, Denis J; Sevick, E M

2012-02-07

Physical systems often respond on a timescale which is longer than that of the measurement. This is particularly true in soft matter where direct experimental measurement, for example in force spectroscopy, drives the soft system out of equilibrium and provides a non-equilibrium measure. Here we demonstrate experimentally for the first time that equilibrium physical quantities (such as the mean square displacement) can be obtained from non-equilibrium measurements via umbrella sampling. Our model experimental system is a bead fluctuating in a time-varying optical trap. We also show this for simulated force spectroscopy on a complex soft molecule--a piston-rotaxane.

Vapor-liquid equilibrium prediction with pseudo-cubic equation of state for binary mixtures containing hydrogen, helium, or neon

Energy Technology Data Exchange (ETDEWEB)

Kato, M.; Tanaka, H. (Nihon Univ.,Fukushima, (Japan). Faculty of Enineering)

1990-03-01

As an equation of state of vapor-liquid equilibrium, an original pseudo-cubic equation of state was previously proposed by the authors of this report and its study is continued. In the present study, new effective critical values of hydrogen, helium and neon were determined empirically from vapor-liquid equilibrium data of literature values against their critical temperatures, critical pressures and critical volumes. The vapor-liquid equilibrium relations of binary system quantum gas mixtures were predicted combining the conventinal pseudo-cubic equation of state and the new effective critical values, and without using binary heteromolecular interaction parameter. The predicted values of hydrogen-ethylene, helium-propane and neon-oxygen systems were compared with literature values. As a result, it was indicated that the vapor-liquid relations of binary system mixtures containing hydrogen, helium and neon can be predicted with favorable accuracy combining the effective critical values and the three parameter pseudo-cubic equation of state. 37 refs., 3 figs., 4 tabs.

Equilibrium chemistry down to 100 K. Impact of silicates and phyllosilicates on the carbon to oxygen ratio

Science.gov (United States)

Woitke, P.; Helling, Ch.; Hunter, G. H.; Millard, J. D.; Turner, G. E.; Worters, M.; Blecic, J.; Stock, J. W.

2018-06-01

We have introduced a fast and versatile computer code, GGCHEM, to determine the chemical composition of gases in thermo-chemical equilibrium down to 100 K, with or without equilibrium condensation. We have reviewed the data for molecular equilibrium constants, kp(T), from several sources and discussed which functional fits are most suitable for low temperatures. We benchmarked our results against another chemical equilibrium code. We collected Gibbs free energies, ΔGf⊖, for about 200 solid and liquid species from the NIST-JANAF database and the geophysical database SUPCRTBL. We discussed the condensation sequence of the elements with solar abundances in phase equilibrium down to 100 K. Once the major magnesium silicates Mg2SiO4[s] and MgSiO3[s] have formed, the dust to gas mass ratio jumps to a value of about 0.0045 which is significantly lower than the often assumed value of 0.01. Silicate condensation is found to increase the carbon to oxygen ratio (C/O) in the gas from its solar value of 0.55 up to 0.71, and, by the additional intake of water and hydroxyl into the solid matrix, the formation of phyllosilicates at temperatures below 400 K increases the gaseous C/O further to about 0.83. Metallic tungsten (W) is the first condensate found to become thermodynamically stable around 1600-2200 K (depending on pressure), several hundreds of Kelvin before subsequent materials such as zirconium dioxide (ZrO2) or corundum (Al2O3) can condense. We briefly discuss whether tungsten, despite its low abundance of 2 × 10-7 times the silicon abundance, could provide the first seed particles for astrophysical dust formation. GGCHEM code is publicly available at http://https://github.com/pw31/GGchemTable D.1 is only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/614/A1

Non-equilibrium thermodynamics, maximum entropy production and Earth-system evolution.

Science.gov (United States)

Kleidon, Axel

2010-01-13

The present-day atmosphere is in a unique state far from thermodynamic equilibrium. This uniqueness is for instance reflected in the high concentration of molecular oxygen and the low relative humidity in the atmosphere. Given that the concentration of atmospheric oxygen has likely increased throughout Earth-system history, we can ask whether this trend can be generalized to a trend of Earth-system evolution that is directed away from thermodynamic equilibrium, why we would expect such a trend to take place and what it would imply for Earth-system evolution as a whole. The justification for such a trend could be found in the proposed general principle of maximum entropy production (MEP), which states that non-equilibrium thermodynamic systems maintain steady states at which entropy production is maximized. Here, I justify and demonstrate this application of MEP to the Earth at the planetary scale. I first describe the non-equilibrium thermodynamic nature of Earth-system processes and distinguish processes that drive the system's state away from equilibrium from those that are directed towards equilibrium. I formulate the interactions among these processes from a thermodynamic perspective and then connect them to a holistic view of the planetary thermodynamic state of the Earth system. In conclusion, non-equilibrium thermodynamics and MEP have the potential to provide a simple and holistic theory of Earth-system functioning. This theory can be used to derive overall evolutionary trends of the Earth's past, identify the role that life plays in driving thermodynamic states far from equilibrium, identify habitability in other planetary environments and evaluate human impacts on Earth-system functioning. This journal is © 2010 The Royal Society

Communication: energy benchmarking with quantum Monte Carlo for water nano-droplets and bulk liquid water.

Science.gov (United States)

Alfè, D; Bartók, A P; Csányi, G; Gillan, M J

2013-06-14

We show the feasibility of using quantum Monte Carlo (QMC) to compute benchmark energies for configuration samples of thermal-equilibrium water clusters and the bulk liquid containing up to 64 molecules. Evidence that the accuracy of these benchmarks approaches that of basis-set converged coupled-cluster calculations is noted. We illustrate the usefulness of the benchmarks by using them to analyze the errors of the popular BLYP approximation of density functional theory (DFT). The results indicate the possibility of using QMC as a routine tool for analyzing DFT errors for non-covalent bonding in many types of condensed-phase molecular system.

Method and apparatus for high-efficiency direct contact condensation

Science.gov (United States)

Bharathan, Desikan; Parent, Yves; Hassani, A. Vahab

1999-01-01

A direct contact condenser having a downward vapor flow chamber and an upward vapor flow chamber, wherein each of the vapor flow chambers includes a plurality of cooling liquid supplying pipes and a vapor-liquid contact medium disposed thereunder to facilitate contact and direct heat exchange between the vapor and cooling liquid. The contact medium includes a plurality of sheets arranged to form vertical interleaved channels or passageways for the vapor and cooling liquid streams. The upward vapor flow chamber also includes a second set of cooling liquid supplying pipes disposed beneath the vapor-liquid contact medium which operate intermittently in response to a pressure differential within the upward vapor flow chamber. The condenser further includes separate wells for collecting condensate and cooling liquid from each of the vapor flow chambers. In alternate embodiments, the condenser includes a cross-current flow chamber and an upward flow chamber, a plurality of upward flow chambers, or a single upward flow chamber. The method of use of the direct contact condenser of this invention includes passing a vapor stream sequentially through the downward and upward vapor flow chambers, where the vapor is condensed as a result of heat exchange with the cooling liquid in the contact medium. The concentration of noncondensable gases in the resulting condensate-liquid mixtures can be minimized by controlling the partial pressure of the vapor, which depends in part upon the geometry of the vapor-liquid contact medium. In another aspect of this invention, the physical and chemical performance of a direct contact condenser can be predicted based on the vapor and coolant compositions, the condensation conditions. and the geometric properties of the contact medium.

What Can Reinforcement Learning Teach Us About Non-Equilibrium Quantum Dynamics

Science.gov (United States)

Bukov, Marin; Day, Alexandre; Sels, Dries; Weinberg, Phillip; Polkovnikov, Anatoli; Mehta, Pankaj

Equilibrium thermodynamics and statistical physics are the building blocks of modern science and technology. Yet, our understanding of thermodynamic processes away from equilibrium is largely missing. In this talk, I will reveal the potential of what artificial intelligence can teach us about the complex behaviour of non-equilibrium systems. Specifically, I will discuss the problem of finding optimal drive protocols to prepare a desired target state in quantum mechanical systems by applying ideas from Reinforcement Learning [one can think of Reinforcement Learning as the study of how an agent (e.g. a robot) can learn and perfect a given policy through interactions with an environment.]. The driving protocols learnt by our agent suggest that the non-equilibrium world features possibilities easily defying intuition based on equilibrium physics.

Non-equilibrium thermodynamics and physical kinetics

CERN Document Server

Bikkin, Halid

2014-01-01

This graduate textbook covers contemporary directions of non-equilibrium statistical mechanics as well as classical methods of kinetics. With one of the main propositions being to avoid terms such as "obviously" and "it is easy to show", this treatise is an easy-to-read introduction into this traditional, yet vibrant field.

Novel Quantum Condensates in Excitonic Matter

International Nuclear Information System (INIS)

Littlewood, P. B.; Keeling, J. M. J.; Simons, B. D.; Eastham, P. R.; Marchetti, F. M.; Szymanska, M. H.

2009-01-01

These lectures interleave discussion of a novel physical problem of a new kind of condensate with teaching of the fundamental theoretical tools of quantum condensed matter field theory. Polaritons and excitons are light mass composite bosons that can be made inside solids in a number of different ways. As bosonic particles, they are liable to make a phase coherent ground state - generically called a Bose-Einstein condensate (BEC) - and these lectures present some models to describe that problem, as well as general approaches to the theory. The focus is very much to explain how mean-field-like approximations that are often presented heuristically can be derived in a systematic fashion by path integral methods. Going beyond the mean field theory then produces a systematic approach to calculation of the excitation energies, and the derivation of effective low energy theories that can be generalised to more complex dynamical and spatial situations than is practicable for the full theory, as well as to study statistical properties beyond the semi-classical regime. in particular, for the polariton problem, it allows one to connect the regimes of equilibrium BEC and non-equilibrium laser. The lectures are self-sufficient, but not highly detailed. The methodological aspects are covered in standard quantum field theory texts and the presentation here is deliberately cursory: the approach will be closest to the book of Altland and Simons. Since these lectures concern a particular type of condensate, reference should also be made to texts on BEC, for example by Pitaevskii and Stringari. A recent theoretically focussed review of polariton systems covers many of the technical issues associated with the polariton problem in greater depth and provides many further references.

Measurements and correlation of liquid-liquid equilibrium data for the ternary (3-heptanone + phenol + water) system

International Nuclear Information System (INIS)

Xu, Gaojie; Yang, Deling; Ning, Pengge; Wang, Qingjie; Gong, Fuchun; Cao, Hongbin

2017-01-01

Highlights: • The liquid-liquid equilibrium data for 3-heptanone + phenol + water were measured. • The distribution coefficient of phenol and selectivity for solvent extraction efficiency were calculated. • The NRTL model (two regression methods) and UNIQUAC model were used to correlate the experimental data with good results. • The physical meaning of the regressed binary parameters was explained by intermolecular attractive energy. • The activity coefficient of phenol and enthalpy change in extraction process were investigated. - Abstract: Liquid-liquid equilibrium (LLE) for the ternary (3-heptanone + phenol + water) system has been determined under atmospheric pressure at 298.15 K, 303.15 K, 318.15 K and 323.15 K. The NRTL and UNIQUAC models were used to correlate the experimental results. The corresponding binary parameters were obtained and their physical meaning is explained by intermolecular attractive energy. The results from the two models agree well with experimental values. The NRTL model was more accurate than that of the UNIQUAC model. Meanwhile, the NRTL model was used to regress all the experimental values at different temperatures simultaneously, which is defined as total-regression. Compared with the individual regression by the NRTL model, the total regression by the NRTL model has fewer parameters and covers a wider interpolated range from 298.15 K to 323.15 K. The distribution coefficient for phenol changes with temperature. The phenol concentration can be expressed as a function of activity coefficient of phenol in both phases. The effect of temperature on the extraction performance of 3-heptanone was also investigated. The phenol extraction process by 3-heptanone is exothermic. The increase of temperature is not a benefit to phenol extraction.

Simulations of NMR pulse sequences during equilibrium and non-equilibrium chemical exchange

International Nuclear Information System (INIS)

Helgstrand, Magnus; Haerd, Torleif; Allard, Peter

2000-01-01

The McConnell equations combine the differential equations for a simple two-state chemical exchange process with the Bloch differential equations for a classical description of the behavior of nuclear spins in a magnetic field. This equation system provides a useful starting point for the analysis of slow, intermediate and fast chemical exchange studied using a variety of NMR experiments. The McConnell equations are in the mathematical form of an inhomogeneous system of first-order differential equations. Here we rewrite the McConnell equations in a homogeneous form in order to facilitate fast and simple numerical calculation of the solution to the equation system. The McConnell equations can only treat equilibrium chemical exchange. We therefore also present a homogeneous equation system that can handle both equilibrium and non-equilibrium chemical processes correctly, as long as the kinetics is of first-order. Finally, the same method of rewriting the inhomogeneous form of the McConnell equations into a homogeneous form is applied to a quantum mechanical treatment of a spin system in chemical exchange. In order to illustrate the homogeneous McConnell equations, we have simulated pulse sequences useful for measuring exchange rates in slow, intermediate and fast chemical exchange processes. A stopped-flow NMR experiment was simulated using the equations for non-equilibrium chemical exchange. The quantum mechanical treatment was tested by the simulation of a sensitivity enhanced 15 N-HSQC with pulsed field gradients during slow chemical exchange and by the simulation of the transfer efficiency of a two-dimensional heteronuclear cross-polarization based experiment as a function of both chemical shift difference and exchange rate constants

Note: Local thermal conductivities from boundary driven non-equilibrium molecular dynamics simulations

International Nuclear Information System (INIS)

Bresme, F.; Armstrong, J.

2014-01-01

We report non-equilibrium molecular dynamics simulations of heat transport in models of molecular fluids. We show that the “local” thermal conductivities obtained from non-equilibrium molecular dynamics simulations agree within numerical accuracy with equilibrium Green-Kubo computations. Our results support the local equilibrium hypothesis for transport properties. We show how to use the local dependence of the thermal gradients to quantify the thermal conductivity of molecular fluids for a wide range of thermodynamic states using a single simulation

Supersymmetric Field Theory of Non-Equilibrium Thermodynamic System

OpenAIRE

Olemskoi, Alexander I.; Brazhnyi, Valerii A.

1998-01-01

On the basis of Langevin equation the optimal SUSY field scheme is formulated to discribe a non-equilibrium thermodynamic system with quenched disorder and non-ergodicity effects. Thermodynamic and isothermal susceptibilities, memory parameter and irreversible response are determined at different temperatures and quenched disorder intensities.

Temperature in non-equilibrium states: a review of open problems and current proposals

International Nuclear Information System (INIS)

Casas-Vazquez, J; Jou, D

2003-01-01

The conceptual problems arising in the definition and measurement of temperature in non-equilibrium states are discussed in this paper in situations where the local-equilibrium hypothesis is no longer satisfactory. This is a necessary and urgent discussion because of the increasing interest in thermodynamic theories beyond local equilibrium, in computer simulations, in non-linear statistical mechanics, in new experiments, and in technological applications of nanoscale systems and material sciences. First, we briefly review the concept of temperature from the perspectives of equilibrium thermodynamics and statistical mechanics. Afterwards, we explore which of the equilibrium concepts may be extrapolated beyond local equilibrium and which of them should be modified, then we review several attempts to define temperature in non-equilibrium situations from macroscopic and microscopic bases. A wide review of proposals is offered on effective non-equilibrium temperatures and their application to ideal and real gases, electromagnetic radiation, nuclear collisions, granular systems, glasses, sheared fluids, amorphous semiconductors and turbulent fluids. The consistency between the different relativistic transformation laws for temperature is discussed in the new light gained from this perspective. A wide bibliography is provided in order to foster further research in this field

Modeling of two-phase flow with thermal and mechanical non-equilibrium

International Nuclear Information System (INIS)

Houdayer, G.; Pinet, B.; Le Coq, G.; Reocreux, M.; Rousseau, J.C.

1977-01-01

To improve two-phase flow modeling by taking into account thermal and mechanical non-equilibrium a joint effort on analytical experiment and physical modeling has been undertaken. A model describing thermal non-equilibrium effects is first presented. A correlation of mass transfer has been developed using steam water critical flow tests. This model has been used to predict in a satisfactory manner blowdown tests. It has been incorporated in CLYSTERE system code. To take into account mechanical non-equilibrium, a six equations model is written. To get information on the momentum transfers special nitrogen-water tests have been undertaken. The first results of these studies are presented

Elastic models for the non-Arrhenius relaxation time of glass-forming liquids

DEFF Research Database (Denmark)

Dyre, Jeppe

We first review the phenomenology of viscous liquids and the standard models used for explaining the non-Arrhenius average relaxation time. Then the focus is turned to the so-called elastic models, arguing that these models are all equivalent in the Einstein approximation (where the short-time...... elastic properties are all determined by just one effective, temperature-dependent force constant). We finally discuss the connection between the elastic models and two well-established research fields of condensed-matter physics: point defects in crystals and solid-state diffusion....

Elastic models for the Non-Arrhenius Relaxation Time of Glass-Forming Liquids

DEFF Research Database (Denmark)

Dyre, J. C.

2006-01-01

We first review the phenomenology of viscous liquids and the standard models used for explaining the non-Arrhenius average relaxation time. Then the focus is turned to the so-called elastic models, arguing that these models are all equivalent in the Einstein approximation (where the short-time...... elastic properties are all determined by just one effective, temperature-dependent force constant). We finally discuss the connection between the elastic models and two well-established research fields of condensed-matter physics: point defects in crystals and solid-state diffusion....

Two-temperature chemically non-equilibrium modelling of an air supersonic ICP

Energy Technology Data Exchange (ETDEWEB)

El Morsli, Mbark; Proulx, Pierre [Laboratoire de Modelisation de Procedes Chimiques par Ordinateur Oppus, Departement de Genie Chimique, Universite de Sherbrooke (Ciheam) J1K 2R1 (Canada)

2007-08-21

In this work, a non-equilibrium mathematical model for an air inductively coupled plasma torch with a supersonic nozzle is developed without making thermal and chemical equilibrium assumptions. Reaction rate equations are written, and two coupled energy equations are used, one for the calculation of the translational-rotational temperature T{sub hr} and one for the calculation of the electro-vibrational temperature T{sub ev}. The viscous dissipation is taken into account in the translational-rotational energy equation. The electro-vibrational energy equation also includes the pressure work of the electrons, the Ohmic heating power and the exchange due to elastic collision. Higher order approximations of the Chapman-Enskog method are used to obtain better accuracy for transport properties, taking advantage of the most recent sets of collisions integrals available in the literature. The results obtained are compared with those obtained using a chemical equilibrium model and a one-temperature chemical non-equilibrium model. The influence of the power and the pressure chamber on the chemical and thermal non-equilibrium is investigated.

Forces and energy dissipation in inhomogeneous non-equilibrium superconductors

International Nuclear Information System (INIS)

Poluehktov, Yu.M.; Slezov, V.V.

1987-01-01

The phenomenological theory of volume forces and dissipation processes in inhomogeneous non-equilibrium superconductors near temperature transition from the normal to superconducting state is constructed. The approach is based on application of dynamic equations of superconductivity formulated on the basis of the Lagrangian formalism. These equations are generalized the Ginzburg-Landau theory in the nonstationary non-equilibrium case for ''foul'' superconductors. The value estimations of volume forces arising in inhomogeneities during relaxation of an order parameter and when the electrical field is penetrated into the superconductor, are given

Equilibrium and non-equilibrium dynamics simultaneously operate in the Galápagos islands.

Science.gov (United States)

Valente, Luis M; Phillimore, Albert B; Etienne, Rampal S

2015-08-01

Island biotas emerge from the interplay between colonisation, speciation and extinction and are often the scene of spectacular adaptive radiations. A common assumption is that insular diversity is at a dynamic equilibrium, but for remote islands, such as Hawaii or Galápagos, this idea remains untested. Here, we reconstruct the temporal accumulation of terrestrial bird species of the Galápagos using a novel phylogenetic method that estimates rates of biota assembly for an entire community. We show that species richness on the archipelago is in an ascending phase and does not tend towards equilibrium. The majority of the avifauna diversifies at a slow rate, without detectable ecological limits. However, Darwin's finches form an exception: they rapidly reach a carrying capacity and subsequently follow a coalescent-like diversification process. Together, these results suggest that avian diversity of remote islands is rising, and challenge the mutual exclusivity of the non-equilibrium and equilibrium ecological paradigms. © 2015 The Authors Ecology Letters published by John Wiley & Sons Ltd and CNRS.

Non-equilibrium plasma reactor for natrual gas processing

International Nuclear Information System (INIS)

Shair, F.H.; Ravimohan, A.L.

1974-01-01

A non-equilibrium plasma reactor for natural gas processing into ethane and ethylene comprising means of producing a non-equilibrium chemical plasma wherein selective conversion of the methane in natural gas to desired products of ethane and ethylene at a pre-determined ethane/ethylene ratio in the chemical process may be intimately controlled and optimized at a high electrical power efficiency rate by mixing with a recycling gas inert to the chemical process such as argon, helium, or hydrogen, reducing the residence time of the methane in the chemical plasma, selecting the gas pressure in the chemical plasma from a wide range of pressures, and utilizing pulsed electrical discharge producing the chemical plasma. (author)

Chemical equilibrium calculations for the high pressure and temperature dissociation of liquid nitrogen

Energy Technology Data Exchange (ETDEWEB)

Hamilton, D.C.; Ree, F.H.

1987-07-01

Calculations are reported for the equation-of-state properties of shock-compressed liquid nitrogen. The statistical mechanical, chemical equilibrium calculations, which allow for the simultaneous presence of both the diatomic and monatomic forms of nitrogen, show good agreement with recent dynamic experiments.

Chemical equilibrium calculations for the high pressure and temperature dissociation of liquid nitrogen

International Nuclear Information System (INIS)

Hamilton, D.C.; Ree, F.H.

1987-07-01

Calculations are reported for the equation-of-state properties of shock-compressed liquid nitrogen. The statistical mechanical, chemical equilibrium calculations, which allow for the simultaneous presence of both the diatomic and monatomic forms of nitrogen, show good agreement with recent dynamic experiments

Quantum condensates and topological bosons in coupled light-matter excitations

Energy Technology Data Exchange (ETDEWEB)

Janot, Alexander

2016-02-29

Motivated by the sustained interest in Bose Einstein condensates and the recent progress in the understanding of topological phases in condensed matter systems, we study quantum condensates and possible topological phases of bosons in coupled light-matter excitations, so-called polaritons. These bosonic quasi-particles emerge if electronic excitations (excitons) couple strongly to photons. In the first part of this thesis a polariton Bose Einstein condensate in the presence of disorder is investigated. In contrast to the constituents of a conventional condensate, such as cold atoms, polaritons have a finite life time. Then, the losses have to be compensated by continued pumping, and a non-thermal steady state can build up. We discuss how static disorder affects this non-equilibrium condensate, and analyze the stability of the superfluid state against disorder. We find that disorder destroys the quasi-long range order of the condensate wave function, and that the polariton condensate is not a superfluid in the thermodynamic limit, even for weak disorder, although superfluid behavior would persist in small systems. Furthermore, we analyze the far field emission pattern of a polariton condensate in a disorder environment in order to compare directly with experiments. In the second part of this thesis features of polaritons in a two-dimensional quantum spin Hall cavity with time reversal symmetry are discussed. We propose a topological invariant which has a nontrivial value if the quantum spin Hall insulator is topologically nontrivial. Furthermore, we analyze emerging polaritonic edge states, discuss their relation to the underlying electronic structure, and develop an effective edge state model for polaritons.

Beyond the second law entropy production and non-equilibrium systems

CERN Document Server

Lineweaver, Charles; Niven, Robert; Regenauer-Lieb, Klaus

2014-01-01

The Second Law, a cornerstone of thermodynamics, governs the average direction of dissipative, non-equilibrium processes. But it says nothing about their actual rates or the probability of fluctuations about the average. This interdisciplinary book, written and peer-reviewed by international experts, presents recent advances in the search for new non-equilibrium principles beyond the Second Law, and their applications to a wide range of systems across physics, chemistry and biology. Beyond The Second Law brings together traditionally isolated areas of non-equilibrium research and highlights potentially fruitful connections between them, with entropy production playing the unifying role. Key theoretical concepts include the Maximum Entropy Production principle, the Fluctuation Theorem, and the Maximum Entropy method of statistical inference. Applications of these principles are illustrated in such diverse fields as climatology, cosmology, crystal growth morphology, Earth system science, environmental physics, ...

An overview of dehydration, aldol-condensation and hydrogenation processes for production of liquid alkanes from biomass-derived carbohydrates

Energy Technology Data Exchange (ETDEWEB)

Chheda, Juben N.; Dumesic, James A. [University of Wisconsin-Madison, Department of Chemical and Biological Engineering, Madison, WI 53706 (United States)

2007-05-30

We present results for the conversion of carbohydrate feedstocks to liquid alkanes by the combination of dehydration, aldol-condensation/hydrogenation, and dehydration/hydrogenation processing. With respect to the first dehydration step, we demonstrate that HMF can be produced in good selectivity from abundantly available polysaccharides (such as inulin, sucrose) containing fructose monomer units using a biphasic batch reactor system. The reaction system can be optimized to achieve good yields to 5-hydroxymethylfurfural (HMF) from fructose by varying the contents of aqueous-phase modifiers such as dimethylsulfoxide (DMSO) and 1-methyl-2-pyrrolidinone (NMP). Regarding the aldol-condensation/hydrogenation step, we present the development of stable, solid base catalysts in aqueous environments. We address the effects of various reaction parameters such as the molar ratio of reactants and temperature on overall product yield for sequential aldol-condensation and hydrogenation steps. Overall, our results show that it is technically possible to convert carbohydrate feedstocks to produce liquid alkanes by the combination of dehydration, aldol-condensation/hydrogenation, and dehydration/hydrogenation processing; however, further optimization of these processes is required to decrease the overall number of separate steps (and reactors) required in this conversion. (author)

Non-equilibrium effects in the plasmas

International Nuclear Information System (INIS)

Einfeld, D.

1975-01-01

Radial dependences of non-equilibrium effects of a He plasma were studied in a wall-stabilized short-time discharge. The electron density (nsub(e) = 2.5 x 10 22 m -3 ), the electron temperature and the equilibrium shift were determined by calculations of the continuum beam density and the beam densities of one He-I and one He-II line, respectively. In the discharge axis, the overpopulation factors of the ground state of He-I and He-II are about 75. As the distance to the axis increases, they increase for He-I and decrease for He-II. Except for the usual errors of measurement, the overpopulation factors found here correspond to those calculated from the balance equations (Drawin). (orig./AK) [de

Non-equilibrium dynamics of open systems and fluctuation-dissipation theorems

Czech Academy of Sciences Publication Activity Database

Špička, Václav; Velický, B.; Kalvová, Anděla

2017-01-01

Roč. 65, 6-8 (2017), s. 1-23, č. článku 1700032. ISSN 0015-8208 Institutional support: RVO:68378271 Keywords : non-equilibrium * fluctuation-dissipation theorems * non-equilibrium Greens function * transient and steady state magnetic current * molecular bridge Subject RIV: BE - Theoretical Physics OBOR OECD: Atomic, molecular and chemical physics ( physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect) Impact factor: 2.434, year: 2016

Waste heat recovery system including a mechanism for collection, detection and removal of non-condensable gas

Science.gov (United States)

Ernst, Timothy C.; Zigan, James A.

2017-06-20

The disclosure describes a non-condensable gas collection, detection, and removal system for a WHR system that helps to maintain cycle efficiency of the WHR system across the life of an engine system associated with the WHR system. A storage volume is configured to collect non-condensable gas received from the working fluid circuit, and a release valve is configured to selectively release non-condensable gas contained within the storage volume.

Memory loss process and non-Gibbsian equilibrium solutions of master equations

International Nuclear Information System (INIS)

Cataldo, H.M.; Hernandez, E.S.

1988-01-01

The phonon dynamics of a harmonic oscillator coupled to a steady reservoir is studied. In the Markovian limit, the equilibrium is reached through a progressive loss of memory process which involves the moments of the initial distribution. The relationship to the non-Markovian equations of motion and its resolvent poles is settled. As a particular model of the coupling mechanism is adopted, the possibility of non-Gibbsian equilibrium distribution arises, which is analyzed focusing upon the dependence of various parameters of the system on an effective equilibrium temperature

Isotope effect on the zero point energy shift upon condensation

International Nuclear Information System (INIS)

Kornblum, Z.C.; Ishida, T.

1977-07-01

The various isotope-dependent and independent atomic and molecular properties that pertain to the isotopic difference between the zero point energy (ZPE) shifts upon condensation were derived. The theoretical development of the change of the ZPE associated with the internal molecular vibrations, due to the condensation of the gaseous molecules, is presented on the basis of Wolfsberg's second-order perturbation treatment of the isotope-dependent London dispersion forces between liquid molecules. The isotope effect on the ZPE shift is related to the difference between the sums of the integrated intensities of the infrared absorption bands of the two gaseous isotopic molecules. The effective atomic charges are also calculated from available experimental infrared intensity data. The effects of isotopic substitutions of carbon-13 for carbon-12 and/or deuterium for protium, in ethylene, methane, and the fluorinated methanes, CH 3 F, CH 2 F 2 , CHF 3 , and CF 4 , on the ZPE shift upon condensation are calculated. These results compare well with the Bigeleisen B-factors, which are experimentally obtained from vapor pressure measurements of the isotopic species. Each of the following molecular properties will tend to increase the isotopic difference between the ZPE shifts upon condensation: (1) large number of highly polar bonds, (2) high molecular weight, (3) non-polar (preferably) or massive molecule, (4) non-hydrogenous molecule, and (5) closely packed liquid molecules. These properties will result in stronger dispersion forces in the liquid phase between the lighter molecules than between the isotopically heavier molecules. 36 tables, 9 figures

Studies on the characteristics of the separated heat pipe system with non-condensible gas for the use of the passive decay heat removal in reactor systems

International Nuclear Information System (INIS)

Hayashi, Takao; Ishi, Takayuki; Hayakawa, Hitoshi; Ohashi, Kazutaka

1997-01-01

Experiments on the separated heat pipe system of variable conductance type, which enclose non-condensible gas, have been carried out with intention of applying such system to passive decay heat removal of the modular reactors such as HTR plant. Basic experiments have been carried out on the experimental apparatus consisting of evaporator, vapor transfer tube, condenser tube and return tube which returns the condensed liquid back to the evaporator. Water and methanol were examined as the working fluids and nitrogen gas was enclosed as the non-condensible gas. The behaviors of the system were examined for the parametric changes of the heat input under the various pressures of nitrogen gas initially enclosed, including the case without enclosing N 2 gas for the comparison. The results of the experiments shows very clear features of self control characteristics. The self control mechanism was made clear, that is, in such system in which the condensing area in the condenser expands automatically in accordance with the increase of the heat input to keep the system temperature nearly constant. The working temperature of the system are clearly dependent on the pressure of the non-condensable gas initially enclosed, with higher system working temperature with higher initial gas pressure enclosed. The analyses were done on water and methanol as the working fluids, which show very good agreement with the experimental results. A lot of attractive applications are expected including the self switching feature with minimum heat loss during normal operation with maintaining the sufficient heat removal at accidents. (author)

Reactive species in non-equilibrium atmospheric-pressure plasmas: Generation, transport, and biological effects

Energy Technology Data Exchange (ETDEWEB)

Lu, X., E-mail: luxinpei@hotmail.com [State Key Laboratory of Advanced Electromagnetic Engineering and Technology, Huazhong University of Science and Technology, Wuhan, Hubei 430074 (China); IFSA Collaborative Innovation Center, Shanghai Jiao Tong University, Shanghai 200240 (China); Naidis, G.V. [Joint Institute for High Temperatures, Russian Academy of Sciences, Moscow 125412 (Russian Federation); Laroussi, M. [Plasma Engineering & Medicine Institute, Old Dominion University, Norfolk, VA 23529 (United States); Reuter, S. [Leibniz Institute for Plasma Science and Technology, Felix-Hausdorff-Strasse 2, 17489 Greifswald (Germany); Graves, D.B. [Department of Chemical and Biomolecular Engineering, University of California, Berkeley, CA 94720 (United States); Ostrikov, K. [Institute for Future Environments, Queensland University of Technology, Brisbane, QLD 4000 (Australia); School of Physics, Chemistry, and Mechanical Engineering, Queensland University of Technology, Brisbane, QLD 4000 (Australia); Commonwealth Scientific and Industrial Research Organization, P.O.Box 218, Lindfield, NSW 2070 (Australia); School of Physics, The University of Sydney, Sydney, NSW 2006 (Australia)

2016-05-04

Non-equilibrium atmospheric-pressure plasmas have recently become a topical area of research owing to their diverse applications in health care and medicine, environmental remediation and pollution control, materials processing, electrochemistry, nanotechnology and other fields. This review focuses on the reactive electrons and ionic, atomic, molecular, and radical species that are produced in these plasmas and then transported from the point of generation to the point of interaction with the material, medium, living cells or tissues being processed. The most important mechanisms of generation and transport of the key species in the plasmas of atmospheric-pressure plasma jets and other non-equilibrium atmospheric-pressure plasmas are introduced and examined from the viewpoint of their applications in plasma hygiene and medicine and other relevant fields. Sophisticated high-precision, time-resolved plasma diagnostics approaches and techniques are presented and their applications to monitor the reactive species and plasma dynamics in the plasma jets and other discharges, both in the gas phase and during the plasma interaction with liquid media, are critically reviewed. The large amount of experimental data is supported by the theoretical models of reactive species generation and transport in the plasmas, surrounding gaseous environments, and plasma interaction with liquid media. These models are presented and their limitations are discussed. Special attention is paid to biological effects of the plasma-generated reactive oxygen and nitrogen (and some other) species in basic biological processes such as cell metabolism, proliferation, survival, etc. as well as plasma applications in bacterial inactivation, wound healing, cancer treatment and some others. Challenges and opportunities for theoretical and experimental research are discussed and the authors’ vision for the emerging convergence trends across several disciplines and application domains is presented to

Vapor-liquid equilibrium of ethanol/ethyl acetate mixture in ultrasonic intensified environment

Energy Technology Data Exchange (ETDEWEB)

Mahdi, Taha; Ahmad, Arshad; Ripin, Adnan Nasef; Mohamed, Mahmoud [Universiti Teknologi Malaysia, Johor Bahru (Malaysia)

2014-05-15

A vapor-liquid equilibrium (VLE) study was conducted on ethanol/ethylacetate mixture as a preliminary step towards developing an ultrasonic-assisted distillation process for separating azeotropic mixtures. The influence of ultrasonic intensity and frequency on the vapor-liquid equilibrium (VLE) of the mixture was examined using a combination of four ultrasonic intensities in range of 100-400W/cm{sup 2} and three frequencies ranging from 25-68 kHz. The sonication was found to have significant impacts on the VLE of the system as it alters both the relative volatility and azeotrope point, with preference to lower frequency operation. A maximum relative volatility of 2.32 was obtained at an intensity of 300 W/cm{sup 2} and a frequency of 25 kHz coupled with complete elimination of ethanol-ethyl acetate azeotrope. Results from this work were also congruent with some experimental and theoretical works presented in the literature. These findings set a good beginning towards the development of an ultrasonic assisted distillation that is currently in progress.

Thermodynamic and structure-property study of liquid-vapor equilibrium for aroma compounds.

Science.gov (United States)

Tromelin, Anne; Andriot, Isabelle; Kopjar, Mirela; Guichard, Elisabeth

2010-04-14

Thermodynamic parameters (T, DeltaH degrees , DeltaS degrees , K) were collected from the literature and/or calculated for five esters, four ketones, two aldehydes, and three alcohols, pure compounds and compounds in aqueous solution. Examination of correlations between these parameters and the range values of DeltaH degrees and DeltaS degrees puts forward the key roles of enthalpy for vaporization of pure compounds and of entropy in liquid-vapor equilibrium of compounds in aqueous solution. A structure-property relationship (SPR) study was performed using molecular descriptors on aroma compounds to better understand their vaporization behavior. In addition to the role of polarity for vapor-liquid equilibrium of compounds in aqueous solution, the structure-property study points out the role of chain length and branching, illustrated by the correlation between the connectivity index CHI-V-1 and the difference between T and log K for vaporization of pure compounds and compounds in aqueous solution. Moreover, examination of the esters' enthalpy values allowed a probable conformation adopted by ethyl octanoate in aqueous solution to be proposed.

Vapor-liquid equilibrium of ethanol/ethyl acetate mixture in ultrasonic intensified environment

International Nuclear Information System (INIS)

Mahdi, Taha; Ahmad, Arshad; Ripin, Adnan Nasef; Mohamed, Mahmoud

2014-01-01

A vapor-liquid equilibrium (VLE) study was conducted on ethanol/ethylacetate mixture as a preliminary step towards developing an ultrasonic-assisted distillation process for separating azeotropic mixtures. The influence of ultrasonic intensity and frequency on the vapor-liquid equilibrium (VLE) of the mixture was examined using a combination of four ultrasonic intensities in range of 100-400W/cm 2 and three frequencies ranging from 25-68 kHz. The sonication was found to have significant impacts on the VLE of the system as it alters both the relative volatility and azeotrope point, with preference to lower frequency operation. A maximum relative volatility of 2.32 was obtained at an intensity of 300 W/cm 2 and a frequency of 25 kHz coupled with complete elimination of ethanol-ethyl acetate azeotrope. Results from this work were also congruent with some experimental and theoretical works presented in the literature. These findings set a good beginning towards the development of an ultrasonic assisted distillation that is currently in progress

Steam condenser

International Nuclear Information System (INIS)

Masuda, Fujio

1980-01-01

Purpose: To enable safe steam condensation by providing steam condensation blades at the end of a pipe. Constitution: When high temperature high pressure steam flows into a vent pipe having an opening under water in a pool or an exhaust pipe or the like for a main steam eacape safety valve, non-condensable gas filled beforehand in the steam exhaust pipe is compressed, and discharged into the water in the pool. The non-condensable gas thus discharged from the steam exhaust pipe is introduced into the interior of the hollow steam condensing blades, is then suitably expanded, and thereafter exhausted from a number of exhaust holes into the water in the pool. In this manner, the non-condensable gas thus discharged is not directly introduced into the water in the pool, but is suitable expanded in the space of the steam condensing blades to suppress extreme over-compression and over-expansion of the gas so as to prevent unstable pressure vibration. (Yoshihara, H.)

Seventeenth Workshop on Computer Simulation Studies in Condensed-Matter Physics

CERN Document Server

Landau, David P; Schütler, Heinz-Bernd; Computer Simulation Studies in Condensed-Matter Physics XVI

2006-01-01

This status report features the most recent developments in the field, spanning a wide range of topical areas in the computer simulation of condensed matter/materials physics. Both established and new topics are included, ranging from the statistical mechanics of classical magnetic spin models to electronic structure calculations, quantum simulations, and simulations of soft condensed matter. The book presents new physical results as well as novel methods of simulation and data analysis. Highlights of this volume include various aspects of non-equilibrium statistical mechanics, studies of properties of real materials using both classical model simulations and electronic structure calculations, and the use of computer simulations in teaching.

Convection with local thermal non-equilibrium and microfluidic effects

CERN Document Server

Straughan, Brian

2015-01-01

This book is one of the first devoted to an account of theories of thermal convection which involve local thermal non-equilibrium effects, including a concentration on microfluidic effects. The text introduces convection with local thermal non-equilibrium effects in extraordinary detail, making it easy for readers newer to the subject area to understand. This book is unique in the fact that it addresses a large number of convection theories and provides many new results which are not available elsewhere. This book will be useful to researchers from engineering, fluid mechanics, and applied mathematics, particularly those interested in microfluidics and porous media.

Implementation of wall film condensation model to two-fluid model in component thermal hydraulic analysis code CUPID - 15237

International Nuclear Information System (INIS)

Lee, J.H.; Park, G.C.; Cho, H.K.

2015-01-01

In the containment of a nuclear reactor, the wall condensation occurs when containment cooling system and structures remove the mass and energy release and this phenomenon is of great importance to ensure containment integrity. If the phenomenon occurs in the presence of non-condensable gases, their accumulation near the condensate film leads to significant reduction in heat transfer during the condensation. This study aims at simulating the wall film condensation in the presence of non-condensable gas using CUPID, a computational multi-fluid dynamics code, which is developed by the Korea Atomic Energy Research Institute (KAERI) for the analysis of transient two-phase flows in nuclear reactor components. In order to simulate the wall film condensation in containment, the code requires a proper wall condensation model and liquid film model applicable to the analysis of the large scale system. In the present study, the liquid film model and wall film condensation model were implemented in the two-fluid model of CUPID. For the condensation simulation, a wall function approach with heat and mass transfer analogy was applied in order to save computational time without considerable refinement for the boundary layer. This paper presents the implemented wall film condensation model and then, introduces the simulation result using CUPID with the model for a conceptual condensation problem in a large system. (authors)

Near equilibrium dynamics and one-dimensional spatial—temporal structures of polar active liquid crystals

International Nuclear Information System (INIS)

Yang Xiao-Gang; Wang Qi; Forest, M. Gregory

2014-01-01

We systematically explore near equilibrium, flow-driven, and flow-activity coupled dynamics of polar active liquid crystals using a continuum model. Firstly, we re-derive the hydrodynamic model to ensure the thermodynamic laws are obeyed and elastic stresses and forces are consistently accounted. We then carry out a linear stability analysis about constant steady states to study near equilibrium dynamics around the steady states, revealing long-wave instability inherent in this model system and how active parameters in the model affect the instability. We then study model predictions for one-dimensional (1D) spatial—temporal structures of active liquid crystals in a channel subject to physical boundary conditions. We discuss the model prediction in two selected regimes, one is the viscous stress dominated regime, also known as the flow-driven regime, while the other is the full regime, in which all active mechanisms are included. In the viscous stress dominated regime, the polarity vector is driven by the prescribed flow field. Dynamics depend sensitively on the physical boundary condition and the type of the driven flow field. Bulk-dominated temporal periodic states and spatially homogeneous states are possible under weak anchoring conditions while spatially inhomogeneous states exist under strong anchoring conditions. In the full model, flow-orientation interaction generates a host of planar as well as out-of-plane spatial—temporal structures related to the spontaneous flows due to the molecular self-propelled motion. These results provide contact with the recent literature on active nematic suspensions. In addition, symmetry breaking patterns emerge as the additional active viscous stress due to the polarity vector is included in the force balance. The inertia effect is found to limit the long-time survival of spatial structures to those with small wave numbers, i.e., an asymptotic coarsening to long wave structures. A rich set of mechanisms for generating

Replacing leads by self-energies using non-equilibrium Green's functions

International Nuclear Information System (INIS)

Michael, Fredrick; Johnson, M.D.

2003-01-01

Open quantum systems consist of semi-infinite leads which transport electrons to and from the device of interest. We show here that within the non-equilibrium Green's function technique for continuum systems, the leads can be replaced by simple c-number self-energies. Our starting point is an approach for continuum systems developed by Feuchtwang. The reformulation developed here is simpler to understand and carry out than the somewhat unwieldly manipulations typical in the Feuchtwang method. The self-energies turn out to have a limited variability: the retarded self-energy Σ r depends on the arbitrary choice of internal boundary conditions, but the non-equilibrium self-energy or scattering function Σ which determines transport is invariant for a broad class of boundary conditions. Expressed in terms of these self-energies, continuum non-equilibrium transport calculations take a particularly simple form similar to that developed for discrete systems

Continuum model of non-equilibrium solvation and solvent effect on ultra-fast processes

International Nuclear Information System (INIS)

Li Xiangyuan; Fu Kexiang; Zhu Quan

2006-01-01

In the past 50 years, non-equilibrium solvation theory for ultra-fast processes such as electron transfer and light absorption/emission has attracted particular interest. A great deal of research efforts was made in this area and various models which give reasonable qualitative descriptions for such as solvent reorganization energy in electron transfer and spectral shift in solution, were developed within the framework of continuous medium theory. In a series of publications by the authors, we clarified that the expression of the non-equilibrium electrostatic free energy that is at the dominant position of non-equilibrium solvation and serves as the basis of various models, however, was incorrectly formulated. In this work, the authors argue that reversible charging work integration was inappropriately applied in the past to an irreversible path linking the equilibrium or the non-equilibrium state. Because the step from the equilibrium state to the nonequilibrium state is factually thermodynamically irreversible, the conventional expression for non-equilibrium free energy that was deduced in different ways is unreasonable. Here the authors derive the non-equilibrium free energy to a quite different form according to Jackson integral formula. Such a difference throws doubts to the models including the famous Marcus two-sphere model for solvent reorganization energy of electron transfer and the Lippert-Mataga equation for spectral shift. By introducing the concept of 'spring energy' arising from medium polarizations, the energy constitution of the non-equilibrium state is highlighted. For a solute-solvent system, the authors separate the total electrostatic energy into different components: the self-energies of solute charge and polarized charge, the interaction energy between them and the 'spring energy' of the solvent polarization. With detailed reasoning and derivation, our formula for non-equilibrium free energy can be reached through different ways. Based on the

Non-equilibrium reaction rates in chemical kinetic equations

Science.gov (United States)

Gorbachev, Yuriy

2018-05-01

Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

Electron Stimulated Desorption of Condensed Gases on Cryogenic Surfaces

CERN Document Server

Tratnik, H; Hilleret, Noël

2005-01-01

In ultra-high vacuum systems outgassing from vacuum chamber walls and desorption from surface adsorbates are usually the factors which in°uence pressure and residual gas composition. In particular in beam vacuum systems of accelerators like the LHC, where surfaces are exposed to intense synchro- tron radiation and bombardment by energetic ions and electrons, properties like the molecular desorption yield or secondary electron yield can strongly in°uence the performance of the accelerator. In high-energy particle accelerators operating at liquid helium temperature, cold surfaces are exposed to the bombardment of energetic photons, electrons and ions. The gases released by the subsequent desorption are re-condensed on the cold surfaces and can be re-desorbed by the impinging electrons and ions. The equilibrium coverage reached on the surfaces exposed to the impact of energetic particles depends on the desorption yield of the condensed gases and can a®ect the operation of the accelerator by modifying th...

Fluegas condensation of domestic fuels. Kotimaisten polttoaineiden savukaasulauhdutus

Energy Technology Data Exchange (ETDEWEB)

Kankkunen, A; Fagerholm, N E

1988-01-01

The suitability of domestic fuel for condensation heat recovery was studied. With the developed computer program, enthalpies of flue gas as function of temperature were computed and also the theoretical advandages aquired by condensation were compared with different fuels. The maximal advantages of condensation were 39 % with wooden chips and 31 % with peat. The domestic fuels were found to be useful for condensation heat recovery because of the high water content and the high dewpoint of flu egas. Condensation was found to have a purifying effect on flue gases. It was found experimentaly that 30 % the sulfur of the peat dissolved to the condensed liquid. The composition of condensed liquid of peat- and wooden chip flue gases was studied to find out the corrosion and enviromental effects. The risk of corrosion to metallic heat exhanger was concluded from the compositio of peat condensat. Chip condensate was found to be almost neutral. Normally the condensate liquids were fit for sewering without aftertreatment. Heat transfer coefficient from flue gases to the wall of the condenser was measured to be 150-170 W/Km{sup 2}. Heat transfer coefficients were three times higher compared to condensing heat transfer.

Dynamical Cooper pairing in non-equilibrium electron-phonon systems

Energy Technology Data Exchange (ETDEWEB)

Knap, Michael [Technical University of Munich (Germany); Harvard University (United States); Babadi, Mehrtash; Refael, Gil [Caltech (United States); Martin, Ivar [Argonne National Laboratory (United States); Demler, Eugene [Harvard University (United States)

2016-07-01

Ultrafast laser pulses have been used to manipulate complex quantum materials and to induce dynamical phase transitions. One of the most striking examples is the transient enhancement of superconductivity in several classes of materials upon irradiating them with high intensity pulses of terahertz light. Motivated by these experiments we analyze the Cooper pairing instabilities in non-equilibrium electron-phonon systems. We demonstrate that the light induced non-equilibrium state of phonons results in a simultaneous increase of the superconducting coupling constant and the electron scattering. We analyze the competition between these effects and show that in a broad range of parameters the dynamic enhancement of Cooper pair formation dominates over the increase in the scattering rate. This opens the possibility of transient light induced superconductivity at temperatures that are considerably higher than the equilibrium transition temperatures. Our results pave new pathways for engineering high-temperature light-induced superconducting states.

Non-equilibrium Microwave Plasma for Efficient High Temperature Chemistry.

Science.gov (United States)

van den Bekerom, Dirk; den Harder, Niek; Minea, Teofil; Gatti, Nicola; Linares, Jose Palomares; Bongers, Waldo; van de Sanden, Richard; van Rooij, Gerard

2017-08-01

A flowing microwave plasma based methodology for converting electric energy into internal and/or translational modes of stable molecules with the purpose of efficiently driving non-equilibrium chemistry is discussed. The advantage of a flowing plasma reactor is that continuous chemical processes can be driven with the flexibility of startup times in the seconds timescale. The plasma approach is generically suitable for conversion/activation of stable molecules such as CO2, N2 and CH4. Here the reduction of CO2 to CO is used as a model system: the complementary diagnostics illustrate how a baseline thermodynamic equilibrium conversion can be exceeded by the intrinsic non-equilibrium from high vibrational excitation. Laser (Rayleigh) scattering is used to measure the reactor temperature and Fourier Transform Infrared Spectroscopy (FTIR) to characterize in situ internal (vibrational) excitation as well as the effluent composition to monitor conversion and selectivity.

Non-equilibrium thermodynamical description of rhythmic motion patterns of active systems: a canonical-dissipative approach.

Science.gov (United States)

Dotov, D G; Kim, S; Frank, T D

2015-02-01

We derive explicit expressions for the non-equilibrium thermodynamical variables of a canonical-dissipative limit cycle oscillator describing rhythmic motion patterns of active systems. These variables are statistical entropy, non-equilibrium internal energy, and non-equilibrium free energy. In particular, the expression for the non-equilibrium free energy is derived as a function of a suitable control parameter. The control parameter determines the Hopf bifurcation point of the deterministic active system and describes the effective pumping of the oscillator. In analogy to the equilibrium free energy of the Landau theory, it is shown that the non-equilibrium free energy decays as a function of the control parameter. In doing so, a similarity between certain equilibrium and non-equilibrium phase transitions is pointed out. Data from an experiment on human rhythmic movements is presented. Estimates for pumping intensity as well as the thermodynamical variables are reported. It is shown that in the experiment the non-equilibrium free energy decayed when pumping intensity was increased, which is consistent with the theory. Moreover, pumping intensities close to zero could be observed at relatively slow intended rhythmic movements. In view of the Hopf bifurcation underlying the limit cycle oscillator model, this observation suggests that the intended limit cycle movements were actually more similar to trajectories of a randomly perturbed stable focus. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

One-loop calculation in time-dependent non-equilibrium thermo field dynamics

International Nuclear Information System (INIS)

Umezawa, H.; Yamanaka, Y.

1989-01-01

This paper is a review on the structure of thermo field dynamics (TFD) in which the basic concepts such as the thermal doublets, the quasi-particles and the self-consistent renormalization are presented in detail. A strong emphasis is put on the computational scheme. A detailed structure of this scheme is illustrated by the one-loop calculation in a non-equilibrium time-dependent process. A detailed account of the one-loop calculation has never been reported anywhere. The role of the self-consistent renormalization is explained. The equilibrium TFD is obtained as the long-time limit of non-equilibrium TFD. (author)

Simulation of water vapor condensation on LOX droplet surface using liquid nitrogen

Science.gov (United States)

Powell, Eugene A.

1988-01-01

The formation of ice or water layers on liquid oxygen (LOX) droplets in the Space Shuttle Main Engine (SSME) environment was investigated. Formulation of such ice/water layers is indicated by phase-equilibrium considerations under conditions of high partial pressure of water vapor (steam) and low LOX droplet temperature prevailing in the SSME preburner or main chamber. An experimental investigation was begun using liquid nitrogen as a LOX simulant. A monodisperse liquid nitrogen droplet generator was developed which uses an acoustic driver to force the stream of liquid emerging from a capillary tube to break up into a stream of regularly space uniformly sized spherical droplets. The atmospheric pressure liquid nitrogen in the droplet generator reservoir was cooled below its boiling point to prevent two phase flow from occurring in the capillary tube. An existing steam chamber was modified for injection of liquid nitrogen droplets into atmospheric pressure superheated steam. The droplets were imaged using a stroboscopic video system and a laser shadowgraphy system. Several tests were conducted in which liquid nitrogen droplets were injected into the steam chamber. Under conditions of periodic droplet formation, images of 600 micron diameter liquid nitrogen droplets were obtained with the stroboscopic video systems.

Coherent application of a contact structure to formulate Classical Non-Equilibrium Thermodynamics

NARCIS (Netherlands)

Knobbe, E; Roekaerts, D.J.E.M.

2017-01-01

This contribution presents an outline of a new mathematical formulation for
Classical Non-Equilibrium Thermodynamics (CNET) based on a contact
structure in differential geometry. First a non-equilibrium state space is introduced as the third key element besides the first and second law of

Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics.

Science.gov (United States)

Bose, Amartya; Makri, Nancy

2017-10-21

The flux formulation of reaction rate theory is recast in terms of the expectation value of the reactive flux with an initial condition that corresponds to a non-equilibrium, factorized reactant density. In the common case of slow reactive processes, the non-equilibrium expression reaches the plateau regime only slightly slower than the equilibrium flux form. When the reactants are described by a single quantum state, as in the case of electron transfer reactions, the factorized reactant density describes the true initial condition of the reactive process. In such cases, the time integral of the non-equilibrium flux expression yields the reactant population as a function of time, allowing characterization of the dynamics in cases where there is no clear separation of time scales and thus a plateau regime cannot be identified. The non-equilibrium flux offers a unified approach to the kinetics of slow and fast chemical reactions and is ideally suited to mixed quantum-classical methods.

A condensed-mass advection based model for the simulation of liquid polar stratospheric clouds

Directory of Open Access Journals (Sweden)

D. Lowe

2003-01-01

Full Text Available We present a condensed-mass advection based model (MADVEC designed to simulate the condensation/evaporation of liquid polar stratospheric cloud (PSC particles. A (Eulerian-in-radius discretization scheme is used, making the model suitable for use in global or mesoscale chemistry and transport models (CTMs. The mass advection equations are solved using an adaption of the weighted average flux (WAF scheme. We validate the numerical scheme using an analytical solution for multicomponent aerosols. The physics of the model are tested using a test case designed by Meilinger et al. (1995. The results from this test corroborate the composition gradients across the size distribution under rapid cooling conditions that were reported in earlier studies.

Finite temperature effects in Bose-Einstein condensed dark matter halos

International Nuclear Information System (INIS)

Harko, Tiberiu; Madarassy, Enikö J.M.

2012-01-01

Once the critical temperature of a cosmological boson gas is less than the critical temperature, a Bose-Einstein Condensation process can always take place during the cosmic history of the universe. Zero temperature condensed dark matter can be described as a non-relativistic, Newtonian gravitational condensate, whose density and pressure are related by a barotropic equation of state, with barotropic index equal to one. In the present paper we analyze the effects of the finite dark matter temperature on the properties of the dark matter halos. We formulate the basic equations describing the finite temperature condensate, representing a generalized Gross-Pitaevskii equation that takes into account the presence of the thermal cloud. The static condensate and thermal cloud in thermodynamic equilibrium is analyzed in detail, by using the Hartree-Fock-Bogoliubov and Thomas-Fermi approximations. The condensed dark matter and thermal cloud density and mass profiles at finite temperatures are explicitly obtained. Our results show that when the temperature of the condensate and of the thermal cloud are much smaller than the critical Bose-Einstein transition temperature, the zero temperature density and mass profiles give an excellent description of the dark matter halos. However, finite temperature effects may play an important role in the early stages of the cosmological evolution of the dark matter condensates

Isothermal vapour–liquid equilibrium of binary systems containing polyoxyethylene dodecanoate and alcohols

International Nuclear Information System (INIS)

Khoiroh, Ianatul; Lee, Ming-Jer

2013-01-01

Highlights: ► An autoclave apparatus was used to measure binary vapor-liquid equilibrium data. ► The studied systems are polyoxyethylene dodecanoate with 2-butanol, tert-butanol, and 1-pentanol. ► The saturated pressure data were fitted accurately to the Antoine equation. ► The UNIQUAC, the NRTL, and the Flory–Huggins models correlated well the phase equilibrium data. ► The solvent activities have been calculated. - Abstract: Isothermal vapour–liquid equilibrium (VLE) data have been measured with a static method for three binary systems of polyoxyethylene dodecanoate {(POEDDA) + butan-2-ol} at T = (333.4 to 424.5) K, (POEDDA + tert-butanol) at (321.1 to 401.5) K, and (POEDDA + pentan-1-ol) at (340.2 to 419.4) K. Four feed compositions were studied over the concentration range of 0.099 to 0.432 of POEDDA mole fractions. The experimental results were fitted to the Antoine equation to regress the Antoine constants. These VLE data were further treated by using the Barker method to obtain the best fit of binary interaction parameters from the UNIQUAC, the NRTL, and the Flory–Huggins models. The results showed good agreement between the experimental and calculated values. The Flory–Huggins model yielded the best result with an overall average absolute relative deviation (AARD) of 2.1%. The solvent activities were also calculated and showed agree well with the calculated values from those three activity coefficient models.

Free convective condensation in a vertical enclosure

Energy Technology Data Exchange (ETDEWEB)

Fox, R.J.; Peterson, P.F. [Univ. of California, Berkeley, CA (United States); Corradini, M.L.; Pernsteiner, A.P. [Univ. of Wisconsin, Madison, WI (United States)

1995-09-01

Free convective condensation in a vertical enclosure was studied numerically and the results were compared with experiments. In both the numerical and experimental investigations, mist formation was observed to occur near the cooling wall, with significant droplet concentrations in the bulk. Large recirculation cells near the end of the condensing section were generated as the heavy noncondensing gas collecting near the cooling wall was accelerated downward. Near the top of the enclosure the recirculation cells became weaker and smaller than those below, ultimately disappearing near the top of the condenser. In the experiment the mist density was seen to be highest near the wall and at the bottom of the condensing section, whereas the numerical model predicted a much more uniform distribution. The model used to describe the formation of mist was based on a Modified Critical Saturation Model (MCSM), which allows mist to be generated once the vapor pressure exceeds a critical value. Equilibrium, nonequilibrium, and MCSM calculations were preformed, showing the experimental results to lie somewhere in between the equilibrium and nonequilibrium predictions of the numerical model. A single adjustable constant (indicating the degree to which equilibrium is achieved) is used in the model in order to match the experimental results.

A non-equilibrium model for soil heating and moisture transport during extreme surface heating: The soil (heat-moisture-vapor) HMV-Model Version

Science.gov (United States)

William Massman

2015-01-01

Increased use of prescribed fire by land managers and the increasing likelihood of wildfires due to climate change require an improved modeling capability of extreme heating of soils during fires. This issue is addressed here by developing and testing the soil (heat-moisture-vapor) HMVmodel, a 1-D (one-dimensional) non-equilibrium (liquid- vapor phase change)...

Nakedly singular non-vacuum gravitating equilibrium states

Science.gov (United States)

Woszczyna, Andrzej; Kutschera, Marek; Kubis, Sebastian; Czaja, Wojciech; Plaszczyk, Piotr; Golda, Zdzisław A.

2016-01-01

Non-vacuum static spherically symmetric spacetimes with central point-like repulsive gravity sources are investigated. Both the symmetries of spacetime and the degree of irregularity of curvature invariants, are the same as for the Schwarzschild case. The equilibrium configurations are modelled using the neutron star polytrope equation of state.

Dark matter as a Bose-Einstein Condensate: the relativistic non-minimally coupled case

International Nuclear Information System (INIS)

Bettoni, Dario; Colombo, Mattia; Liberati, Stefano

2014-01-01

Bose-Einstein Condensates have been recently proposed as dark matter candidates. In order to characterize the phenomenology associated to such models, we extend previous investigations by studying the general case of a relativistic BEC on a curved background including a non-minimal coupling to curvature. In particular, we discuss the possibility of a two phase cosmological evolution: a cold dark matter-like phase at the large scales/early times and a condensed phase inside dark matter halos. During the first phase dark matter is described by a minimally coupled weakly self-interacting scalar field, while in the second one dark matter condensates and, we shall argue, develops as a consequence the non-minimal coupling. Finally, we discuss how such non-minimal coupling could provide a new mechanism to address cold dark matter paradigm issues at galactic scales

The Planck-Benzinger thermal work function in the condensation of water vapor

Science.gov (United States)

Chun, Paul W.

Based on the Planck-Benzinger thermal work function using Chun's method, the innate temperature-invariant enthalpy at 0 K, ?H0(T0), for the condensation of water vapor as well as the dimer, trimer, tetramer, and pentamer form in the vapor phase, was determined to be 0.447 kcal mol-1 for vapor, 1.127 for the dimer, 0.555 for the trimer, 0.236 for the tetramer, and 0.079 kcal mol-1 for the pentamer using ?G(T) data reported by Kell et al. in 1968 and Kell and McLaurin in 1969. These results suggest that the predominant dimeric form is the most stable of these n-mers. Using Nemethy and Scheraga's 1962 data for the Helmholtz free energy of liquid water, the value of ?H0(T0) was determined to be 1.21 kcal mol-1. This is very close to the value for the energy of the hydrogen bond EH of 1.32 kcal mol-1 reported by Nemethy and Scheraga, using statistical thermodynamics. It seems clear that very little energy is required for interconversion between the hypothetical supercooled water vapor and glassy water at 0 K. A hypothetical supercooled water vapor at 0 K is apparently almost as highly associated as glassy water at that temperature, suggesting a dynamic equilibrium between vapor and liquid. This water vapor condensation is highly similar in its thermodynamic behavior to that of sequence-specific pairwise (dipeptide) hydrophobic interaction, except that the negative Gibbs free energy change minimum at ?Ts?, the thermal setpoint for vapor condensation, where T?S = 0, occurs at a considerably lower temperature, 270 K (below 0°C) compared with ?350 K. The temperature of condensation ?Tcond? at which ?G(T) = 0, where water vapor begins to condense, was found to be 383 K. In the case of a sequence-specific pairwise hydrophobic interaction, the melting temperature, ?Tm?, where ?G(Tm) = 0 was found to be 460 K. Only between two temperature limits, ?Th? = 99 K and ?Tcond? = 383 K, where ?G(Tcond) = 0, is the net chemical driving force favorable for polymorphism of glassy water

Experimental approaches for studying non-equilibrium atmospheric plasma jets

Energy Technology Data Exchange (ETDEWEB)

Shashurin, A., E-mail: ashashur@purdue.edu [School of Aeronautics & Astronautics, Purdue University, West Lafayette, Indiana 47907 (United States); Keidar, M. [Department of Mechanical and Aerospace Engineering, The George Washington University, Washington, District of Columbia 20052 (United States)

2015-12-15

This work reviews recent research efforts undertaken in the area non-equilibrium atmospheric plasma jets with special focus on experimental approaches. Physics of small non-equilibrium atmospheric plasma jets operating in kHz frequency range at powers around few Watts will be analyzed, including mechanism of breakdown, process of ionization front propagation, electrical coupling of the ionization front with the discharge electrodes, distributions of excited and ionized species, discharge current spreading, transient dynamics of various plasma parameters, etc. Experimental diagnostic approaches utilized in the field will be considered, including Rayleigh microwave scattering, Thomson laser scattering, electrostatic streamer scatterers, optical emission spectroscopy, fast photographing, etc.

Quantum mechanical force fields for condensed phase molecular simulations

Science.gov (United States)

Giese, Timothy J.; York, Darrin M.

2017-09-01

Molecular simulations are powerful tools for providing atomic-level details into complex chemical and physical processes that occur in the condensed phase. For strongly interacting systems where quantum many-body effects are known to play an important role, density-functional methods are often used to provide the model with the potential energy used to drive dynamics. These methods, however, suffer from two major drawbacks. First, they are often too computationally intensive to practically apply to large systems over long time scales, limiting their scope of application. Second, there remain challenges for these models to obtain the necessary level of accuracy for weak non-bonded interactions to obtain quantitative accuracy for a wide range of condensed phase properties. Quantum mechanical force fields (QMFFs) provide a potential solution to both of these limitations. In this review, we address recent advances in the development of QMFFs for condensed phase simulations. In particular, we examine the development of QMFF models using both approximate and ab initio density-functional models, the treatment of short-ranged non-bonded and long-ranged electrostatic interactions, and stability issues in molecular dynamics calculations. Example calculations are provided for crystalline systems, liquid water, and ionic liquids. We conclude with a perspective for emerging challenges and future research directions.

Numerical study of non-ideal Vlasov-BGK plasmas

International Nuclear Information System (INIS)

Levchenko, V.D.; Sigov, Y.S.; Premuda, F.

1995-01-01

A relatively simple quasi-classical description of quantum plasmas using as first approximation the Bhatnagar-Gross-Krook (BGK) collision integral, if combined with the modern numerical simulation methods, might be effective tool of a deep study of non-ideal plasma kinetics in a variety of urgent applications as inertial confinement and cold fusion, transport and collective properties of highly condensed plasmas in liquid metals, semi- and superconductors and others. Consider one-dimensional degenerate plasma consisting of thermal electrons and thermal bosons (deuterons) in the vicinity of the equilibrium Fermi- and Bose-type distributions respectively. In the frame of our rough mixed model we solve Vlasov-BGK-Poisson eqs using simplified version of the SUR code

Non-equilibrium magnetic interactions in strongly correlated systems

Energy Technology Data Exchange (ETDEWEB)

Secchi, A., E-mail: a.secchi@science.ru.nl [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands); Brener, S.; Lichtenstein, A.I. [Institut für Theoretische Physik, Universitat Hamburg, Jungiusstraße 9, D-20355 Hamburg (Germany); Katsnelson, M.I. [Institute for Molecules and Materials, Radboud University Nijmegen, 6525 AJ Nijmegen (Netherlands)

2013-06-15

We formulate a low-energy theory for the magnetic interactions between electrons in the multi-band Hubbard model under non-equilibrium conditions determined by an external time-dependent electric field which simulates laser-induced spin dynamics. We derive expressions for dynamical exchange parameters in terms of non-equilibrium electronic Green functions and self-energies, which can be computed, e.g., with the methods of time-dependent dynamical mean-field theory. Moreover, we find that a correct description of the system requires, in addition to exchange, a new kind of magnetic interaction, that we name twist exchange, which formally resembles Dzyaloshinskii–Moriya coupling, but is not due to spin–orbit, and is actually due to an effective three-spin interaction. Our theory allows the evaluation of the related time-dependent parameters as well. -- Highlights: •We develop a theory for magnetism of strongly correlated systems out of equilibrium. •Our theory is suitable for laser-induced ultrafast magnetization dynamics. •We write time-dependent exchange parameters in terms of electronic Green functions. •We find a new magnetic interaction, a “twist exchange”. •We give general expressions for magnetic noise in itinerant-electron systems.

Simulating condensation on microstructured surfaces using Lattice Boltzmann Method

Science.gov (United States)

Alexeev, Alexander; Vasyliv, Yaroslav

2017-11-01

We simulate a single component fluid condensing on 2D structured surfaces with different wettability. To simulate the two phase fluid, we use the athermal Lattice Boltzmann Method (LBM) driven by a pseudopotential force. The pseudopotential force results in a non-ideal equation of state (EOS) which permits liquid-vapor phase change. To account for thermal effects, the athermal LBM is coupled to a finite volume discretization of the temperature evolution equation obtained using a thermal energy rate balance for the specific internal energy. We use the developed model to probe the effect of surface structure and surface wettability on the condensation rate in order to identify microstructure topographies promoting condensation. Financial support is acknowledged from Kimberly-Clark.

Vapour-liquid equilibrium properties for two- and three-dimensional Lennard-Jones fluids from equations of state

International Nuclear Information System (INIS)

Mulero, A.; Cuadros, F; Faundez, C.A.

1999-01-01

Vapour-liquid equilibrium properties for both three- and two-dimensional Lennard-Jones fluids were obtained using simple cubic-in-density equations of state proposed by the authors. Results were compared with those obtained by other workers from computer simulations and also with results given by other more complex semi-theoretical or semi-empirical equations of state. In the three-dimensional case good agreement is found for all properties and all temperatures. In the two-dimensional case only the coexistence densities were compared, producing good agreement for low temperatures only. The present work is the first to give numerical data for the vapour-liquid equilibrium properties of Lennard-Jones fluids calculated from equations of state. Copyright (1999) CSIRO Australia

Quasiparticle picture of high-temperature superconductors in the frame of a Fermi liquid with the fermion condensate

International Nuclear Information System (INIS)

Amusia, M. Ya.; Shaginyan, V. R.

2001-01-01

A model of a Fermi liquid with the fermion condensate (FC) is applied to the consideration of quasiparticle excitations in high-temperature superconductors, in their superconducting and normal states. Within our model the appearance of the fermion condensate presents a quantum phase transition that separates the regions of normal and strongly correlated electron liquids. Beyond the phase transition point the quasiparticle system is divided into two subsystems, one containing normal quasiparticles and the other-fermion condensate localized at the Fermi surface and characterized by almost dispersionless single-particle excitations. In the superconducting state the quasiparticle dispersion in systems with FC can be presented by two straight lines, characterized by effective masses M FC * and M L * , respectively, and intersecting near the binding energy, which is of the order of the superconducting gap. This same quasiparticle picture persists in the normal state, thus manifesting itself over a wide range of temperatures as new energy scales. Arguments are presented that fermion systems with FC have features of a 'quantum protectorate' [R. B. Laughlin and D. Pines, Proc. Natl. Acad. Sci. U.S.A. >97, 28 (2000); P. W. Anderson, cond-mat/0007185 (unpublished); cond-mat/0007287 (unpublished)

Evaporation characteristics of thin film liquid argon in nano-scale confinement: A molecular dynamics study

Science.gov (United States)

Hasan, Mohammad Nasim; Shavik, Sheikh Mohammad; Rabbi, Kazi Fazle; Haque, Mominul

2016-07-01

Molecular dynamics simulation has been carried out to explore the evaporation characteristics of thin liquid argon film in nano-scale confinement. The present study has been conducted to realize the nano-scale physics of simultaneous evaporation and condensation inside a confined space for a three phase system with particular emphasis on the effect of surface wetting conditions. The simulation domain consisted of two parallel platinum plates; one at the top and another at the bottom. The fluid comprised of liquid argon film at the bottom plate and vapor argon in between liquid argon and upper plate of the domain. Considering hydrophilic and hydrophobic nature of top and bottom surfaces, two different cases have been investigated: (i) Case A: Both top and bottom surfaces are hydrophilic, (ii) Case B: both top and bottom surfaces are hydrophobic. For all cases, equilibrium molecular dynamics (EMD) was performed to reach equilibrium state at 90 K. Then the lower wall was set to four different temperatures such as 110 K, 120 K, 130 K and 140 K to perform non-equilibrium molecular dynamics (NEMD). The variation of temperature and density as well as the variation of system pressure with respect to time were closely monitored for each case. The heat fluxes normal to top and bottom walls were estimated and discussed to illuminate the effectiveness of heat transfer in both hydrophilic and hydrophobic confinement at various boundary temperatures of the bottom plate.

An advanced expiratory circuit for the recovery of perfluorocarbon liquid from non-saturated perfluorocarbon vapour during partial liquid ventilation: an experimental model

Directory of Open Access Journals (Sweden)

Davies Mark W

2006-02-01

Full Text Available Abstract Background The loss of perfluorocarbon (PFC vapour in the expired gases during partial liquid ventilation should be minimized both to prevent perfluorocarbon vapour entering the atmosphere and to re-use the recovered PFC liquid. Using a substantially modified design of our previously described condenser, we aimed to determine how much perfluorocarbon liquid could be recovered from gases containing PFC and water vapour, at concentrations found during partial liquid ventilation, and to determine if the amount recovered differed with background flow rate (at flow rates suitable for use in neonates. Methods The expiratory line of a standard ventilator circuit set-up was mimicked, with the addition of two condensers. Perfluorocarbon (30 mL of FC-77 and water vapour, at concentrations found during partial liquid ventilation, were passed through the circuit at a number of flow rates and the percentage recovery of the liquids measured. Results From 14.2 mL (47% to 27.3 mL (91% of the infused 30 mL of FC-77 was recovered at the flow rates studied. Significantly higher FC-77 recovery was obtained at lower flow rates (ANOVA with Bonferroni's multiple comparison test, p -1 (ANOVA with Bonferroni's multiple comparison test, p -1, respectively. Conclusion Using two condensers in series 47% to 91% of perfluorocarbon liquid can be recovered, from gases containing perfluorocarbon and water vapour, at concentrations found during partial liquid ventilation.

How to fix a broken symmetry: quantum dynamics of symmetry restoration in a ferromagnetic Bose-Einstein condensate

International Nuclear Information System (INIS)

Damski, Bogdan; Zurek, Wojciech H

2008-01-01

We discuss the dynamics of a quantum phase transition in a spin-1 Bose-Einstein condensate when it is driven from the magnetized broken-symmetry phase to the unmagnetized 'symmetric' polar phase. We determine where the condensate goes out of equilibrium as it approaches the critical point, and compute the condensate magnetization at the critical point. This is done within a quantum Kibble-Zurek scheme traditionally employed in the context of symmetry-breaking quantum phase transitions. Then we study the influence of the non-equilibrium dynamics near a critical point on the condensate magnetization. In particular, when the quench stops at the critical point, nonlinear oscillations of magnetization occur. They are characterized by a period and an amplitude that are inversely proportional. If we keep driving the condensate far away from the critical point through the unmagnetized 'symmetric' polar phase, the amplitude of magnetization oscillations slowly decreases reaching a nonzero asymptotic value. That process is described by an equation that can be mapped onto the classical mechanical problem of a particle moving under the influence of harmonic and 'anti-friction' forces whose interplay leads to surprisingly simple fixed-amplitude oscillations. We obtain several scaling results relating the condensate magnetization to the quench rate, and verify numerically all analytical predictions

Vapor condensation device

International Nuclear Information System (INIS)

Sakurai, Manabu; Hirayama, Fumio; Kurosawa, Setsumi; Yoshikawa, Jun; Hosaka, Seiichi.

1992-01-01

The present invention enables to separate and remove 14 C as CO 3 - ions without condensation in a vapor condensation can of a nuclear facility. That is, the vapor condensation device of the nuclear facility comprises (1) a spray pipe for spraying an acidic aqueous solution to the evaporation surface of an evaporation section, (2) a spray pump for sending the acidic aqueous solution to the spray pipe, (3) a tank for storing the acidic aqueous solution, (4) a pH sensor for detecting pH of the evaporation section, (5) a pH control section for controlling the spray pump, depending on the result of the detection of the pH sensor. With such a constitution, the pH of liquid wastes on the vaporization surface is controlled to 7 by spraying an aqueous solution of dilute sulfuric acid to the evaporation surface, thereby enabling to increase the transfer rate of 14 C to condensates to 60 to 70%. If 14 C is separated and removed as a CO 2 gas from the evaporation surface, the pH of the liquid wastes returns to the alkaline range of 9 to 10 and the liquid wastes are returned to a heating section. The amount of spraying the aqueous solution of dilute sulfuric acid can be controlled till the pH is reduced to 5. (I.S.)

Extension of CE/SE method to non-equilibrium dissociating flows

KAUST Repository

Wen, C.Y.

2017-12-08

In this study, the hypersonic non-equilibrium flows over rounded nose geometries are numerically investigated by a robust conservation element and solution element (CE/SE) code, which is based on hybrid meshes consisting of triangular and quadrilateral elements. The dissociating and recombination chemical reactions as well as the vibrational energy relaxation are taken into account. The stiff source terms are solved by an implicit trapezoidal method of integration. Comparison with laboratory and numerical cases are provided to demonstrate the accuracy and reliability of the present CE/SE code in simulating hypersonic non-equilibrium flows.

Liquid–Liquid Equilibrium in Ternary Systems N,N-dimethylformamide + 2-methylpentane + Methanol and N,N-dimethylformamide + Methylcyclohexane + Methanol

Czech Academy of Sciences Publication Activity Database

Bendová, Magdalena; Řehák, K.; Matouš, J.; Novák, J.P.

2006-01-01

Roč. 239, č. 1 (2006), s. 16-25 ISSN 0378-3812 Institutional research plan: CEZ:AV0Z40720504 Keywords : liquid-liquid equilibrium * critical curves * regular solution model Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.680, year: 2006

Comparing two non-equilibrium approaches to modelling of a free-burning arc

International Nuclear Information System (INIS)

Baeva, M; Uhrlandt, D; Benilov, M S; Cunha, M D

2013-01-01

Two models of high-pressure arc discharges are compared with each other and with experimental data for an atmospheric-pressure free-burning arc in argon for arc currents of 20–200 A. The models account for space-charge effects and thermal and ionization non-equilibrium in somewhat different ways. One model considers space-charge effects, thermal and ionization non-equilibrium in the near-cathode region and thermal non-equilibrium in the bulk plasma. The other model considers thermal and ionization non-equilibrium in the entire arc plasma and space-charge effects in the near-cathode region. Both models are capable of predicting the arc voltage in fair agreement with experimental data. Differences are observed in the arc attachment to the cathode, which do not strongly affect the near-cathode voltage drop and the total arc voltage for arc currents exceeding 75 A. For lower arc currents the difference is significant but the arc column structure is quite similar and the predicted bulk plasma characteristics are relatively close to each other. (paper)

Non-equilibrium assembly of microtubules: from molecules to autonomous chemical robots.

Science.gov (United States)

Hess, H; Ross, Jennifer L

2017-09-18

Biological systems have evolved to harness non-equilibrium processes from the molecular to the macro scale. It is currently a grand challenge of chemistry, materials science, and engineering to understand and mimic biological systems that have the ability to autonomously sense stimuli, process these inputs, and respond by performing mechanical work. New chemical systems are responding to the challenge and form the basis for future responsive, adaptive, and active materials. In this article, we describe a particular biochemical-biomechanical network based on the microtubule cytoskeletal filament - itself a non-equilibrium chemical system. We trace the non-equilibrium aspects of the system from molecules to networks and describe how the cell uses this system to perform active work in essential processes. Finally, we discuss how microtubule-based engineered systems can serve as testbeds for autonomous chemical robots composed of biological and synthetic components.

Thermal non-equilibrium in porous medium adjacent to vertical plate: ANN approach

Science.gov (United States)

Ahmed, N. J. Salman; Ahamed, K. S. Nazim; Al-Rashed, Abdullah A. A. A.; Kamangar, Sarfaraz; Athani, Abdulgaphur

2018-05-01

Thermal non-equilibrium in porous medium is a condition that refers to temperature discrepancy in solid matrix and fluid of porous medium. This type of flow is complex flow requiring complex set of partial differential equations that govern the flow behavior. The current work is undertaken to predict the thermal non-equilibrium behavior of porous medium adjacent to vertical plate using artificial neural network. A set of neurons in 3 layers are trained to predict the heat transfer characteristics. It is found that the thermal non-equilibrium heat transfer behavior in terms of Nusselt number of fluid as well as solid phase can be predicted accurately by using well-trained neural network.

Some recent developments in non-equilibrium statistical physics

Indian Academy of Sciences (India)

: ... This canonical prescription is the starting point for studying a system in ... abilistic approach to non-equilibrium dynamics by treating the case of Markovian ..... equation in this network between the incoming flux and the outgoing flux at each.

Elements of non-equilibrium (ℎ, k)-dynamics at zero and finite temperatures

International Nuclear Information System (INIS)

Golubeva, O.N.; Sukhanov, A.D.

2011-01-01

We suggest a method which allows developing some elements of non-equilibrium (ℎ, k)-dynamics without use of Schroedinger equation. It is based on the generalization pf Fokker-Planck and Hamilton-Jacobi equations. Sequential considering of stochastic influence of vacuum is realized in the quantum heat bath model. We show that at the presence of quantum-thermal diffusion non-equilibrium wave functions describe the process of nearing to generalized state of thermal equilibrium at zero and finite temperatures. They can be used as a ground for universal description of transport phenomena

Non-equilibrium properties of Josephson critical current in Nb-based three terminal superconducting tunnel devices

International Nuclear Information System (INIS)

Ammendola, G.; Parlato, L.; Peluso, G.; Pepe, G.

1998-01-01

Tunnel quasi-particle injection into a superconducting film provides useful information on the non-equilibrium state inside the perturbed superconductor as well as on the potential application to electronic devices. Three terminal injector-detector superconducting devices have a long history in non-equilibrium superconductivity. In the recent past non-equilibrium phenomena have attracted again considerable attention because of many superconducting based detectors involve processes substantially non-equilibrium in nature. The possibility of using a stacked double tunnel junction to study the influence of non-equilibrium superconductivity on the Josephson critical current is now considered. An experimental study of the effect of quasi-particle injection on the Josephson current both in steady-state and pulsed experiments down to T=1.2 K is presented using 3 terminal Nb-based stacked double tunnel devices. The feasibility of a new class of particle detectors based on the direct measurement of the change in the Josephson current following the absorption of a X-ray quantum is also discussed in terms of non-equilibrium theories. (orig.)

State of the Art Report On Condensation Phenomena Within Tubes in the Presence of Noncondensable Gas

International Nuclear Information System (INIS)

Polo, J.

1998-01-01

Condensation phenomena play an important role in many industrial applications; in particular; the nuclear industry uses such processes in different systems for both operation and safety aspects. Thus most of the engineering safety features in the current Light Water Reactor (LWR) plants as well as in the new advanced/passive type design are based on the condensation phenomena inside tubes to reduce the system pressure and to remove the decay heat released under accidental conditions. Regarding the new advanced/passive plant designs such a systems must ensure their capabilities under severe accident conditions, that means, under the presence of non-condensable gas an even aerosol particles. The presence of even a small quantity of non condensable gas in liquid-vapour has profound influence on the resistance to heat transfer at the liquid-vapour interface leading to reduce in the heat transfer rate. In consequence, the safety analysis of the Simplified Boiling Water Reactor (SBWR) promoted in increase in the modelling, model development and experimental research on the gas mixtures condensing inside vertical tubes. This report summarises the last models developed as well as the experimental findings on such processes. (Author) 51 refs

A field-theoretic approach to non-equilibrium work identities

International Nuclear Information System (INIS)

Mallick, Kirone; Orland, Henri; Moshe, Moshe

2011-01-01

We study non-equilibrium work relations for a space-dependent field with stochastic dynamics (model A). Jarzynski's equality is obtained through symmetries of the dynamical action in the path-integral representation. We derive a set of exact identities that generalize the fluctuation-dissipation relations to non-stationary and far-from-equilibrium situations. These identities are prone to experimental verification. Furthermore, we show that a well-studied invariance of the Langevin equation under supersymmetry, which is known to be broken when the external potential is time dependent, can be partially restored by adding to the action a term which is precisely Jarzynski's work. The work identities can then be retrieved as consequences of the associated Ward-Takahashi identities.

Liquid-liquid phase equilibrium and heat capacity of binary solution {2-propanol + 1-octyl-3-methylimidazolium hexafluorophosphate}

International Nuclear Information System (INIS)

Guo, Yimin; Zhang, Xianshuo; Xu, Chen; Shen, Weiguo

2017-01-01

Highlights: • Liquid-liquid equilibrium of binary {2-propanol + RTIL} solution was measured. • The critical exponents were deduced and found to belong to 3D-Ising universality. • Asymmetry of the coexistence curve was analyzed by the complete scaling theory. • The dependences of critical parameters on the permittivity of alkanols were discussed. - Abstract: The liquid-liquid coexistence curve and the heat capacity for binary solution of {2-propanol + 1-octyl-3-methylimidazolium hexafluorophosphate} have been precisely measured. The values of the critical exponents α and β, characterizing the critical anomalies of the heat capacity and the coexistence curve respectively, were deduced and found to be consistent with theoretical predictions. The asymmetric behavior of the diameter of the coexistence curve was studied in the frame of the complete scaling theory, demonstrating that the heat capacity related term is of importance. Furthermore, the restricted primitive model (RPM) was used to calculate the reduced upper consolute temperature and density, which together with a comparative larger value of A + indicated a character of solvophobic criticality.

Classical and Quantum Models in Non-Equilibrium Statistical Mechanics: Moment Methods and Long-Time Approximations

Directory of Open Access Journals (Sweden)

Ramon F. Alvarez-Estrada

2012-02-01

Full Text Available We consider non-equilibrium open statistical systems, subject to potentials and to external “heat baths” (hb at thermal equilibrium at temperature T (either with ab initio dissipation or without it. Boltzmann’s classical equilibrium distributions generate, as Gaussian weight functions in momenta, orthogonal polynomials in momenta (the position-independent Hermite polynomialsHn’s. The moments of non-equilibrium classical distributions, implied by the Hn’s, fulfill a hierarchy: for long times, the lowest moment dominates the evolution towards thermal equilibrium, either with dissipation or without it (but under certain approximation. We revisit that hierarchy, whose solution depends on operator continued fractions. We review our generalization of that moment method to classical closed many-particle interacting systems with neither a hb nor ab initio dissipation: with initial states describing thermal equilibrium at T at large distances but non-equilibrium at finite distances, the moment method yields, approximately, irreversible thermalization of the whole system at T, for long times. Generalizations to non-equilibrium quantum interacting systems meet additional difficulties. Three of them are: (i equilibrium distributions (represented through Wigner functions are neither Gaussian in momenta nor known in closed form; (ii they may depend on dissipation; and (iii the orthogonal polynomials in momenta generated by them depend also on positions. We generalize the moment method, dealing with (i, (ii and (iii, to some non-equilibrium one-particle quantum interacting systems. Open problems are discussed briefly.

Partition Function and Configurational Entropy in Non-Equilibrium States: A New Theoretical Model

Directory of Open Access Journals (Sweden)

Akira Takada

2018-03-01

Full Text Available A new model of non-equilibrium thermodynamic states has been investigated on the basis of the fact that all thermodynamic variables can be derived from partition functions. We have thus attempted to define partition functions for non-equilibrium conditions by introducing the concept of pseudo-temperature distributions. These pseudo-temperatures are configurational in origin and distinct from kinetic (phonon temperatures because they refer to the particular fragments of the system with specific energies. This definition allows thermodynamic states to be described either for equilibrium or non-equilibrium conditions. In addition; a new formulation of an extended canonical partition function; internal energy and entropy are derived from this new temperature definition. With this new model; computational experiments are performed on simple non-interacting systems to investigate cooling and two distinct relaxational effects in terms of the time profiles of the partition function; internal energy and configurational entropy.

Correlation of vapor - liquid equilibrium data for acetic acid - isopropanol - water - isopropyl acetate mixtures

Directory of Open Access Journals (Sweden)

B. A. Mandagarán

2006-03-01

Full Text Available A correlation procedure for the prediction of vapor - liquid equilibrium of acetic acid - isopropanol - water - isopropyl acetate mixtures has been developed. It is based on the NRTL model for predicting liquid activity coefficients, and on the Hayden-O'Connell second virial coefficients for predicting the vapor phase of systems containing association components. When compared with experimental data the correlation shows a good agreement for binary and ternary data. The correlation also shows good prediction for reactive quaternary data.

Choking flow modeling with mechanical and thermal non-equilibrium

Energy Technology Data Exchange (ETDEWEB)

Yoon, H.J.; Ishii, M.; Revankar, S.T. [School of Nuclear Engineering, Purdue University, West Lafayette, IN 47907 (United States)

2006-01-15

The mechanistic model, which considers the mechanical and thermal non-equilibrium, is described for two-phase choking flow. The choking mass flux is obtained from the momentum equation with the definition of choking. The key parameter for the mechanical non-equilibrium is a slip ratio. The dependent parameters for the slip ratio are identified. In this research, the slip ratio which is defined in the drift flux model is used to identify the impact parameters on the slip ratio. Because the slip ratio in the drift flux model is related to the distribution parameter and drift velocity, the adequate correlations depending on the flow regime are introduced in this study. For the thermal non-equilibrium, the model is developed with bubble conduction time and Bernoulli choking model. In case of highly subcooled water compared to the inlet pressure, the Bernoulli choking model using the pressure undershoot is used because there is no bubble generation in the test section. When the phase change happens inside the test section, two-phase choking model with relaxation time calculates the choking mass flux. According to the comparison of model prediction with experimental data shows good agreement. The developed model shows good prediction in both low and high pressure ranges. (author)

Biomolecular condensates: organizers of cellular biochemistry.

Science.gov (United States)

Banani, Salman F; Lee, Hyun O; Hyman, Anthony A; Rosen, Michael K

2017-05-01

Biomolecular condensates are micron-scale compartments in eukaryotic cells that lack surrounding membranes but function to concentrate proteins and nucleic acids. These condensates are involved in diverse processes, including RNA metabolism, ribosome biogenesis, the DNA damage response and signal transduction. Recent studies have shown that liquid-liquid phase separation driven by multivalent macromolecular interactions is an important organizing principle for biomolecular condensates. With this physical framework, it is now possible to explain how the assembly, composition, physical properties and biochemical and cellular functions of these important structures are regulated.

Non-equilibrium and band tailing in organic conductors

Indian Academy of Sciences (India)

. Non-equilibrium ... Introduction. Study of organic conductors and semiconductors continues to generate interest with the ... Band tailing reduces band gap or the acti- ..... (9), we can identify Eg(0) with the focal point and is proportional to P2. 1 .

(Liquid + liquid) equilibrium of {l_brace}water + phenol + (1-butanol, or 2-butanol, or tert-butanol){r_brace} systems

Energy Technology Data Exchange (ETDEWEB)

Hadlich de Oliveira, Leonardo [School of Chemical Engineering, State University of Campinas, UNICAMP, P.O. Box 6066, 13083-970 Campinas-SP (Brazil); Aznar, Martin, E-mail: maznar@feq.unicamp.b [School of Chemical Engineering, State University of Campinas, UNICAMP, P.O. Box 6066, 13083-970 Campinas-SP (Brazil)

2010-11-15

(Liquid + liquid) equilibrium (LLE) and binodal curve data were determined for the systems (water + phenol + tert-butanol) at T = 298.15 K, (water + phenol + 2-butanol) and (water + phenol + 1-butanol) at T = 298.15 K and T = 313.15 K by the combined techniques of densimetry and refractometry. Type I curve (for tert-butanol) and Type II curves (for 1- and 2-butanol) were found. The data were correlated with the NRTL model and the parameters estimated present root mean square deviations below 2% for the system with tert-butanol and lower than 0.8% for the other systems.

Calculating zeros: Non-equilibrium free energy calculations

International Nuclear Information System (INIS)

Oostenbrink, Chris; Gunsteren, Wilfred F. van

2006-01-01

Free energy calculations on three model processes with theoretically known free energy changes have been performed using short simulation times. A comparison between equilibrium (thermodynamic integration) and non-equilibrium (fast growth) methods has been made in order to assess the accuracy and precision of these methods. The three processes have been chosen to represent processes often observed in biomolecular free energy calculations. They involve a redistribution of charges, the creation and annihilation of neutral particles and conformational changes. At very short overall simulation times, the thermodynamic integration approach using discrete steps is most accurate. More importantly, reasonable accuracy can be obtained using this method which seems independent of the overall simulation time. In cases where slow conformational changes play a role, fast growth simulations might have an advantage over discrete thermodynamic integration where sufficient sampling needs to be obtained at every λ-point, but only if the initial conformations do properly represent an equilibrium ensemble. From these three test cases practical lessons can be learned that will be applicable to biomolecular free energy calculations

Non-Equilibrium Turbulence and Two-Equation Modeling

Science.gov (United States)

Rubinstein, Robert

2011-01-01

Two-equation turbulence models are analyzed from the perspective of spectral closure theories. Kolmogorov theory provides useful information for models, but it is limited to equilibrium conditions in which the energy spectrum has relaxed to a steady state consistent with the forcing at large scales; it does not describe transient evolution between such states. Transient evolution is necessarily through nonequilibrium states, which can only be found from a theory of turbulence evolution, such as one provided by a spectral closure. When the departure from equilibrium is small, perturbation theory can be used to approximate the evolution by a two-equation model. The perturbation theory also gives explicit conditions under which this model can be valid, and when it will fail. Implications of the non-equilibrium corrections for the classic Tennekes-Lumley balance in the dissipation rate equation are drawn: it is possible to establish both the cancellation of the leading order Re1/2 divergent contributions to vortex stretching and enstrophy destruction, and the existence of a nonzero difference which is finite in the limit of infinite Reynolds number.

Non-equilibrium between ions and electrons inside hot spots from National Ignition Facility experiments

Directory of Open Access Journals (Sweden)

Zhengfeng Fan

2017-01-01

Full Text Available The non-equilibrium between ions and electrons in the hot spot can relax the ignition conditions in inertial confinement fusion [Fan et al., Phys. Plasmas 23, 010703 (2016], and obvious ion-electron non-equilibrium could be observed by our simulations of high-foot implosions when the ion-electron relaxation is enlarged by a factor of 2. On the other hand, in many shots of high-foot implosions on the National Ignition Facility, the observed X-ray enhancement factors due to ablator mixing into the hot spot are less than unity assuming electrons and ions have the same temperature [Meezan et al., Phys. Plasmas 22, 062703 (2015], which is not self-consistent because it can lead to negative ablator mixing into the hot spot. Actually, this non-consistency implies ion-electron non-equilibrium within the hot spot. From our study, we can infer that ion-electron non-equilibrium exists in high-foot implosions and the ion temperature could be ∼9% larger than the equilibrium temperature in some NIF shots.

Lateral interactions and non-equilibrium in surface kinetics

Science.gov (United States)

Menzel, Dietrich

2016-08-01

Work modelling reactions between surface species frequently use Langmuir kinetics, assuming that the layer is in internal equilibrium, and that the chemical potential of adsorbates corresponds to that of an ideal gas. Coverage dependences of reacting species and of site blocking are usually treated with simple power law coverage dependences (linear in the simplest case), neglecting that lateral interactions are strong in adsorbate and co-adsorbate layers which may influence kinetics considerably. My research group has in the past investigated many co-adsorbate systems and simple reactions in them. We have collected a number of examples where strong deviations from simple coverage dependences exist, in blocking, promoting, and selecting reactions. Interactions can range from those between next neighbors to larger distances, and can be quite complex. In addition, internal equilibrium in the layer as well as equilibrium distributions over product degrees of freedom can be violated. The latter effect leads to non-equipartition of energy over molecular degrees of freedom (for products) or non-equal response to those of reactants. While such behavior can usually be described by dynamic or kinetic models, the deeper reasons require detailed theoretical analysis. Here, a selection of such cases is reviewed to exemplify these points.

Heat transfer degradation during condensation of non-azeotropic mixtures

Science.gov (United States)

Azzolin, M.; Berto, A.; Bortolin, S.; Del, D., Col

2017-11-01

International organizations call for a reduction of the HFCs production and utilizations in the next years. Binary or ternary blends of hydroflourocarbons (HFCs) and hydrofluoroolefins (HFOs) are emerging as possible substitutes for high Global Warming Potential (GWP) fluids currently employed in some refrigeration and air-conditioning applications. In some cases, these mixtures are non-azeotropic and thus, during phase-change at constant pressure, they present a temperature glide that, for some blends, can be higher than 10 K. Such temperature variation during phase change could lead to a better matching between the refrigerant and the water temperature profiles in a condenser, thus reducing the exergy losses associated with the heat transfer process. Nevertheless, the additional mass transfer resistance which occurs during the phase change of zeotropic mixtures leads to a heat transfer degradation. Therefore, the design of a condenser working with a zeotropic mixture poses the problem of how to extend the correlations developed for pure fluids to the case of condensation of mixtures. Experimental data taken are very helpful in the assessment of design procedures. In the present paper, heat transfer coefficients have been measured during condensation of zeotropic mixtures of HFC and HFO fluids. Tests have been carried out in the test rig available at the Two Phase Heat Transfer Lab of University of Padova. During the condensation tests, the heat is subtracted from the mixture by using cold water and the heat transfer coefficient is obtained from the measurement of the heat flux on the water side, the direct measurements of the wall temperature and saturation temperature. Tests have been performed at 40°C mean saturation temperature. The present experimental database is used to assess predictive correlations for condensation of mixtures, providing valuable information on the applicability of available models.

Two-temperature chemically non-equilibrium modelling of transferred arcs

International Nuclear Information System (INIS)

Baeva, M; Kozakov, R; Gorchakov, S; Uhrlandt, D

2012-01-01

A two-temperature chemically non-equilibrium model describing in a self-consistent manner the heat transfer, the plasma chemistry, the electric and magnetic field in a high-current free-burning arc in argon has been developed. The model is aimed at unifying the description of a thermionic tungsten cathode, a flat copper anode, and the arc plasma including the electrode sheath regions. The heat transfer in the electrodes is coupled to the plasma heat transfer considering the energy fluxes onto the electrode boundaries with the plasma. The results of the non-equilibrium model for an arc current of 200 A and an argon flow rate of 12 slpm are presented along with results obtained from a model based on the assumption of local thermodynamic equilibrium (LTE) and from optical emission spectroscopy. The plasma shows a near-LTE behaviour along the arc axis and in a region surrounding the axis which becomes wider towards the anode. In the near-electrode regions, a large deviation from LTE is observed. The results are in good agreement with experimental findings from optical emission spectroscopy. (paper)

Ward identity for non-equilibrium Fermi systems

Czech Academy of Sciences Publication Activity Database

Velický, B.; Kalvová, Anděla; Špička, Václav

2008-01-01

Roč. 77, č. 4 (2008), 041201/1-041201/4 ISSN 1098-0121 R&D Projects: GA ČR GC202/07/J051 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521 Keywords : non-equilibrium * Green’s functions * quantum transport equations * Ward identity Subject RIV: BE - Theoretical Physics Impact factor: 3.322, year: 2008

A High Temperature Liquid Plasma Model of the Sun

Directory of Open Access Journals (Sweden)

Robitaille P.-M.

2007-01-01

Full Text Available In this work, a liquid model of the Sun is presented wherein the entire solar mass is viewed as a high density/high energy plasma. This model challenges our current understanding of the densities associated with the internal layers of the Sun, advocating a relatively constant density, almost independent of radial position. The incompressible nature of liquids is advanced to prevent solar collapse from gravitational forces. The liquid plasma model of the Sun is a non-equilibrium approach, where nuclear reactions occur throughout the solar mass. The primary means of addressing internal heat transfer are convection and conduction. As a result of the convective processes on the solar surface, the liquid model brings into question the established temperature of the solar photosphere by highlighting a violation of Kirchhoff’s law of thermal emission. Along these lines, the model also emphasizes that radiative emission is a surface phenomenon. Evidence that the Sun is a high density/high energy plasma is based on our knowledge of Planckian thermal emission and condensed matter, including the existence of pressure ionization and liquid metallic hydrogen at high temperatures and pressures. Prior to introducing the liquid plasma model, the historic and scientific justifications for the gaseous model of the Sun are reviewed and the gaseous equations of state are also discussed.

Condensate cleaning systems

International Nuclear Information System (INIS)

Yamamoto, Michiyoshi; Oosumi, Katsumi; Takashima, Yoshie; Mitani, Shinji.

1982-01-01

Purpose: To decrease the frequency for the backwash and regeneration operations due to the increase in the differential pressure resulted from claddings captured in a mixed floor type desalter, and decrease the amount of radioactive liquid wastes of claddings from the condensate systems by removing claddings with electromagnetic filters. Constitution: In an existent plant, a valves is disposed between a condensate pump and a mixed floor type desalter. A pipeway is branched from a condensate pipe between the condensate pipe and the valve, through which condensates are transferred by a pump to an electromagnetic filter such as of a high gradient type electromagntic filter to remove claddings, then returned to a condensate pipe between the valve and the mixed floor type desalter and, thereafter, are removed with ionic components in the mixed floor type desalter and fed to the reactor. (Yoshino, Y.)

Mixed convection heat transfer between a steam / non-condensable gas mixture and an inclined finned tube bundle

Energy Technology Data Exchange (ETDEWEB)

Cachard, F. de; Lomperski, S.; Monauni, G.R. [Paul Scherrer Inst. (PSI), Villigen (Switzerland). Lab. for Thermal-Hydraulics

1999-07-01

An experimental and analytical program was performed at PSI to study the performance of a finned-tube condenser in the presence of non-condensable gases at low gas mass fluxes. The model developed for this application includes mixed convection heat transfer between the vapour/non-condensable mixture and the finned-tubes, heat conduction through the fins and tubes, and evaporative heat transfer inside the tubes. The finned-tubes condenser model has been assessed against data obtained at the PSI LINX facility with two test condensers. For the 62 LINX experiments performed, the model predictions are very good, i.e., less than 10 % standard deviation between experimental and predicted results. (authors)

Interfacial Dynamics of Condensing Vapor Bubbles in an Ultrasonic Acoustic Field

Science.gov (United States)

Boziuk, Thomas; Smith, Marc; Glezer, Ari

2016-11-01

Enhancement of vapor condensation in quiescent subcooled liquid using ultrasonic actuation is investigated experimentally. The vapor bubbles are formed by direct injection from a pressurized steam reservoir through nozzles of varying characteristic diameters, and are advected within an acoustic field of programmable intensity. While kHz-range acoustic actuation typically couples to capillary instability of the vapor-liquid interface, ultrasonic (MHz-range) actuation leads to the formation of a liquid spout that penetrates into the vapor bubble and significantly increases its surface area and therefore condensation rate. Focusing of the ultrasonic beam along the spout leads to ejection of small-scale droplets from that are propelled towards the vapor liquid interface and result in localized acceleration of the condensation. High-speed video of Schlieren images is used to investigate the effects of the ultrasonic actuation on the thermal boundary layer on the liquid side of the vapor-liquid interface and its effect on the condensation rate, and the liquid motion during condensation is investigated using high-magnification PIV measurements. High-speed image processing is used to assess the effect of the actuation on the dynamics and temporal variation in characteristic scale (and condensation rate) of the vapor bubbles.

Distillation Separation of Hydrofluoric Acid and Nitric Acid from Acid Waste Using the Salt Effect on Vapor-Liquid Equilibrium

Science.gov (United States)

Yamamoto, Hideki; Sumoge, Iwao

2011-03-01

This study presents the distillation separation of hydrofluoric acid with use of the salt effect on the vapor-liquid equilibrium for acid aqueous solutions and acid mixtures. The vapor-liquid equilibrium of hydrofluoric acid + salt systems (fluorite, potassium nitrate, cesium nitrate) was measured using an apparatus made of perfluoro alkylvinylether. Cesium nitrate showed a salting-out effect on the vapor-liquid equilibrium of the hydrofluoric acid-water system. Fluorite and potassium nitrate showed a salting-in effect on the hydrofluoric acid-water system. Separation of hydrofluoric acid from an acid mixture containing nitric acid and hydrofluoric acid was tested by the simple distillation treatment using the salt effect of cesium nitrate (45 mass%). An acid mixture of nitric acid (5.0 mol · dm-3) and hydrofluoric acid (5.0 mol · dm-3) was prepared as a sample solution for distillation tests. The concentration of nitric acid in the first distillate decreased from 5.0 mol · dm-3 to 1.13 mol · dm-3, and the concentration of hydrofluoric acid increased to 5.41 mol · dm-3. This first distillate was further distilled without the addition of salt. The concentrations of hydrofluoric acid and nitric acid in the second distillate were 7.21 mol · dm-3 and 0.46 mol · dm-3, respectively. It was thus found that the salt effect on vapor-liquid equilibrium of acid mixtures was effective for the recycling of acids from acid mixture wastes.

Condensation and Wetting Dynamics on Micro/Nano-Structured Surfaces

Science.gov (United States)

Olceroglu, Emre

Because of their adjustable wetting characteristics, micro/nanostructured surfaces are attractive for the enhancement of phase-change heat transfer where liquid-solid-vapor interactions are important. Condensation, evaporation, and boiling processes are traditionally used in a variety of applications including water harvesting, desalination, industrial power generation, HVAC, and thermal management systems. Although they have been studied by numerous researchers, there is currently a lack of understanding of the underlying mechanisms by which structured surfaces improve heat transfer during phase-change. This PhD dissertation focuses on condensation onto engineered surfaces including fabrication aspect, the physics of phase-change, and the operational limitations of engineered surfaces. While superhydrophobic condensation has been shown to produce high heat transfer rates, several critical issues remain in the field. These include surface manufacturability, heat transfer coefficient measurement limitations at low heat fluxes, failure due to surface flooding at high supersaturations, insufficient modeling of droplet growth rates, and the inherent issues associated with maintenance of non-wetted surface structures. Each of these issues is investigated in this thesis, leading to several contributions to the field of condensation on engineered surfaces. A variety of engineered surfaces have been fabricated and characterized, including nanostructured and hierarchically-structured superhydrophobic surfaces. The Tobacco mosaic virus (TMV) is used here as a biological template for the fabrication of nickel nanostructures, which are subsequently functionalized to achieve superhydrophobicity. This technique is simple and sustainable, and requires no applied heat or external power, thus making it easily extendable to a variety of common heat transfer materials and complex geometries. To measure heat transfer rates during superhydrophobic condensation in the presence of non-condensable

Continuous condensation in nanogrooves

Science.gov (United States)

Malijevský, Alexandr

2018-05-01

We consider condensation in a capillary groove of width L and depth D , formed by walls that are completely wet (contact angle θ =0 ), which is in a contact with a gas reservoir of the chemical potential μ . On a mesoscopic level, the condensation process can be described in terms of the midpoint height ℓ of a meniscus formed at the liquid-gas interface. For macroscopically deep grooves (D →∞ ), and in the presence of long-range (dispersion) forces, the condensation corresponds to a second-order phase transition, such that ℓ ˜(μcc-μ ) -1 /4 as μ →μcc - where μc c is the chemical potential pertinent to capillary condensation in a slit pore of width L . For finite values of D , the transition becomes rounded and the groove becomes filled with liquid at a chemical potential higher than μc c with a difference of the order of D-3. For sufficiently deep grooves, the meniscus growth initially follows the power law ℓ ˜(μcc-μ ) -1 /4 , but this behavior eventually crosses over to ℓ ˜D -(μ-μc c) -1 /3 above μc c, with a gap between the two regimes shown to be δ ¯μ ˜D-3 . Right at μ =μc c , when the groove is only partially filled with liquid, the height of the meniscus scales as ℓ*˜(D3L) 1 /4 . Moreover, the chemical potential (or pressure) at which the groove is half-filled with liquid exhibits a nonmonotonic dependence on D with a maximum at D ≈3 L /2 and coincides with μc c when L ≈D . Finally, we show that condensation in finite grooves can be mapped on the condensation in capillary slits formed by two asymmetric (competing) walls a distance D apart with potential strengths depending on L . All these predictions, based on mesoscopic arguments, are confirmed by fully microscopic Rosenfeld's density functional theory with a reasonable agreement down to surprisingly small values of both L and D .

Adaptive Chemical Networks under Non-Equilibrium Conditions: The Evaporating Droplet.

Science.gov (United States)

Armao, Joseph J; Lehn, Jean-Marie

2016-10-17

Non-volatile solutes in an evaporating drop experience an out-of-equilibrium state due to non-linear concentration effects and complex flow patterns. Here, we demonstrate a small molecule chemical reaction network that undergoes a rapid adaptation response to the out-of-equilibrium conditions inside the droplet leading to control over the molecular constitution and spatial arrangement of the deposition pattern. Adaptation results in a pronounced coffee stain effect and coupling to chemical concentration gradients within the drop is demonstrated. Amplification and suppression of network species are readily identifiable with confocal fluorescence microscopy. We anticipate that these observations will contribute to the design and exploration of out-of-equilibrium chemical systems, as well as be useful towards the development of point-of-care medical diagnostics and controlled deposition of small molecules through inkjet printing. © 2016 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Isotope effect on the zero point energy shift upon condensation

International Nuclear Information System (INIS)

Kornblum, Z.C.

1977-01-01

The various isotope-dependent and independent atomic and molecular properties that pertain to the isotopic difference between the zero point energy (ZPE) shifts upon condensation have been derived. The theoretical development of the change of the ZPE associated with the internal molecular vibrations, due to the condensation of the gaseous molecules, has been presented on the basis of Wolfsberg's second-order perturbation treatment of the isotope-dependent London dispersion forces between liquid molecules. The isotope effect on the ZPE shift is related to the difference between the sums of the integrated intensities of the infrared absorption bands of the two gaseous isotopic molecules. Each intensity sum is expressed, in part, in terms of partial derivatives of the molecular dipole moment with respect to atomic cartesian coordinates. These derivatives are related to the isotope-independent effective charges of the atoms, which are theoretically calculated by means of a modified CNDO/2 computer program. The effective atomic charges are also calculated from available experimental infrared intensity data. The effects of isotopic substitutions of carbon-13 for carbon-12 and/or deuterium for protium, in ethylene, methane, and the fluorinated methanes, CH 3 F, CH 2 F 2 , CHF 3 , and CF 4 , on the ZPE shift upon condensation are calculated. These results compare well with the Bigeleisen B-factors, which are experimentally obtained from vapor pressure measurements of the isotopic species. Each of the following molecular properties will tend to increase the isotopic difference between the ZPE shifts upon condensation: (1) large number of highly polar bonds, (2) high molecular weight, (3) non-polar (preferably) or massive molecule, (4) non-hydrogenous molecule, and (5) closely packed liquid molecules. These properties will result in stronger dispersion forces in the liquid phase between the lighter molecules than between the isotopically heavier molecules

Stochastic pumping of non-equilibrium steady-states: how molecules adapt to a fluctuating environment.

Science.gov (United States)

Astumian, R D

2018-01-11

In the absence of input energy, a chemical reaction in a closed system ineluctably relaxes toward an equilibrium state governed by a Boltzmann distribution. The addition of a catalyst to the system provides a way for more rapid equilibration toward this distribution, but the catalyst can never, in and of itself, drive the system away from equilibrium. In the presence of external fluctuations, however, a macromolecular catalyst (e.g., an enzyme) can absorb energy and drive the formation of a steady state between reactant and product that is not determined solely by their relative energies. Due to the ubiquity of non-equilibrium steady states in living systems, the development of a theory for the effects of external fluctuations on chemical systems has been a longstanding focus of non-equilibrium thermodynamics. The theory of stochastic pumping has provided insight into how a non-equilibrium steady-state can be formed and maintained in the presence of dissipation and kinetic asymmetry. This effort has been greatly enhanced by a confluence of experimental and theoretical work on synthetic molecular machines designed explicitly to harness external energy to drive non-equilibrium transport and self-assembly.

Non-equilibrium thermodynamics of radiation-induced processes in solids

International Nuclear Information System (INIS)

Yurov, V.M.; Eshchanov, A.N.; Kuketaev, A.T.; Sidorenya, Yu.S.

2005-01-01

In the paper an item about a defect system response in solids on external action (temperature, pressure, light, etc.) from the point of view of non-equilibrium statistical thermodynamics is considered

Investigation of the interaction between liquid and micro/nanostructured surfaces during condensation with quartz crystal microbalance

Science.gov (United States)

Su, Junwei

Dropwise condensation (DWC) on hydrophobic surfaces is attracting attention for its great potential in many industrial applications, such as steam power plants, water desalination, and de-icing of aerodynamic surfaces, to list a few. The direct dynamic characterization of liquid/solid interaction can significantly accelerate the progress toward a full understanding of the thermal and mass transport mechanisms during DWC processes. The research focuses on the development of a novel acoustic-based technique for analyzing the liquid/solid interactions of different condensations on micro- and nanostructured surfaces including DWC. hi addition. the newly developed technology was demonstrated for quantitatively sensing different wetting states of liquid on rough surfaces. First, different micro/nanostructures were fabricated on the quartz crystal microbalance (QCM), which serves as acoustic sensor. Polymethyl methacrylate (PMMA) micropillars, with varying heights from 6.03 to 25.02 microm, were fabricated on a quartz crystal microbalance (QCM) substrate by thermal nanoimprinting lithography to form pillar-based QCM (QCM-P). For nanostructured QCM. a copper layer was deposited on the QCM surface and then nanostructures of copper oxide (CuO) films were formed via chemical oxidation in an alkaline solution. Then, these surfaces were treated to make them superhydrophilic or superhydrophobic using oxygen plasma treatment or with coating of 1H,1 H,2H,2H-perfluorooctyl-trichlorosilane (PFOTS). Based on the geometry of these micro/nanostructures, the relationship between the frequency responses of QCM and the wetting states of these surfaces was theoretically investigated. Different theoretical models were established to describing the frequency shift of the micro- and nanostructured QCM in different wetting states. For the microstructured surface, the cantilever based model and a two-degree-of-freedom dynamic model were applied to predict the frequency shift of the QCM-P in

Universal Themes of Bose-Einstein Condensation

Science.gov (United States)

Proukakis, Nick P.; Snoke, David W.; Littlewood, Peter B.

2017-04-01

-Einstein condensation of photons and grand-canonical condensate fluctuations J. Klaers and M. Weitz; 20. Laser operation and Bose-Einstein condensation: analogies and differences A. Chiocchetta, A. Gambassi and I. Carusotto; 21. Vortices in resonant polariton condensates in semiconductor microcavities D. N. Krizhanovskii, K. Guda, M. Sich, M. S. Skolnick, L. Dominici and D. Sanvitto; 22. Optical control of polariton condensates G. Christmann, P. G. Savvidis and J. J. Baumberg; 23. Disorder, synchronization and phase-locking in non-equilibrium Bose-Einstein condensates P. R. Eastham and B. Rosenow; 24. Collective topological excitations in 1D polariton quantum fluids H. Terças, D. D. Solnyshkov and G. Malpuech; 25. Microscopic theory of Bose-Einstein condensation of magnons at room temperature H. Salman, N. G. Berloff and S. O. Demokritov; 26. Spintronics and magnon Bose-Einstein condensation R. A. Duine, A. Brataas, S. A. Bender and Y. Tserkovnyak; 27. Spin-superfluidity and spin-current mediated non-local transport H. Chen and A. H. MacDonald; 28. Bose-Einstein condensation in quantum magnets C. Kollath, T. Giamarchi and C. Rüegg; Part V. Condensates in Astrophysics and Cosmology: Editorial notes; 29. Bose-Einstein condensates in neutron stars C. J. Pethick, T. Schäfer and A. Schwenk; 30. A simulated cosmological metric: the superfluid 3He condensate G. R. Pickett; 31. Cosmic axion Bose-Einstein condensation N. Banik and P. Sikivie; 32. Graviton BECs: a new approach to quantum gravity G. Dvali and C. Gomez; Universal Bose-Einstein condensation workshop; Index.

Quasiparticle picture of high-temperature superconductors in the frame of a Fermi liquid with the fermion condensate

Energy Technology Data Exchange (ETDEWEB)

Amusia, M. Ya.; Shaginyan, V. R.

2001-06-01

A model of a Fermi liquid with the fermion condensate (FC) is applied to the consideration of quasiparticle excitations in high-temperature superconductors, in their superconducting and normal states. Within our model the appearance of the fermion condensate presents a quantum phase transition that separates the regions of normal and strongly correlated electron liquids. Beyond the phase transition point the quasiparticle system is divided into two subsystems, one containing normal quasiparticles and the other{emdash}fermion condensate localized at the Fermi surface and characterized by almost dispersionless single-particle excitations. In the superconducting state the quasiparticle dispersion in systems with FC can be presented by two straight lines, characterized by effective masses M{sub FC}{sup *} and M{sub L}{sup *}, respectively, and intersecting near the binding energy, which is of the order of the superconducting gap. This same quasiparticle picture persists in the normal state, thus manifesting itself over a wide range of temperatures as new energy scales. Arguments are presented that fermion systems with FC have features of a {open_quotes}quantum protectorate{close_quotes} [R. B. Laughlin and D. Pines, Proc. Natl. Acad. Sci. U.S.A. >97, 28 (2000); P. W. Anderson, cond-mat/0007185 (unpublished); cond-mat/0007287 (unpublished)].

Non-Commutative Mechanics in Mathematical & in Condensed Matter Physics

Directory of Open Access Journals (Sweden)

Peter A. Horváthy

2006-12-01

Full Text Available Non-commutative structures were introduced, independently and around the same time, in mathematical and in condensed matter physics (see Table 1. Souriau's construction applied to the two-parameter central extension of the planar Galilei group leads to the ''exotic'' particle, which has non-commuting position coordinates. A Berry-phase argument applied to the Bloch electron yields in turn a semiclassical model that has been used to explain the anomalous/spin/optical Hall effects. The non-commutative parameter is momentum-dependent in this case, and can take the form of a monopole in momentum space.

Study on a non-powered heat transporting system; Mudoryoku netsu hanso system ni kansuru kenkyu

Energy Technology Data Exchange (ETDEWEB)

Kamiya, Y [Kanto Gakuin University, Yokohama (Japan)

1997-11-25

This paper proposes a non-powered heat transportation (HT) system. The system is composed of an evaporator, condenser, receiver, switching chamber (SC) and 3 check valves which are connected with each other by vapor and liquid tubes. Condensed liquid supercooled in the condenser exists in the receiver forming a saturated condition at a concerned temperature, and condensed liquid is lifted up from the condenser to the receiver by pressure difference between the evaporator and receiver. Generally evaporation pressure is higher by pressure difference between liquid levels in the condenser and receiver. The lifted up amount of condensed liquid increases with evaporation pressure, resulting in an increase in heating surface area of the condenser and amount of condensed liquid. A proper evaporator pressure is thus retained by reduction of evaporation pressure. SC is connected with the receiver and evaporator, and switches high- and low-pressure valves by motion of an inner float to transport heat from the evaporator to condenser. Reverse HT is possible as normal latent HT by installing a bypass. Some problems are also described. 2 refs., 8 figs.

Compressibility and specific heats of heavier condensed rare gases near the liquid-vapour critical point

International Nuclear Information System (INIS)

March, N.H.

2003-08-01

Sarkisov (J. Chem. Phys. 119, 373, 2003) has recently discussed the structural behaviour of a simple fluid near the liquid-vapour critical point. His work, already compared with computer simulation studies, is here brought into direct contact for the heavier condensed rare gases Ar, Kr and Xe with (a) experiment and (b) earlier theoretical investigations. Directions for future studies then emerge. (author)

Dynamics of capillary condensation in aerogels.

Science.gov (United States)

Nomura, R; Miyashita, W; Yoneyama, K; Okuda, Y

2006-03-01

Dynamics of capillary condensation of liquid 4He in various density silica aerogels was investigated systematically. Interfaces were clearly visible when bulk liquid was rapidly sucked into the aerogel. Time evolution of the interface positions was consistent with the Washburn model and their effective pore radii were obtained. Condensation was a single step in a dense aerogel and two steps in a low density aerogel. Crossover between the two types of condensation was observed in an intermediate density aerogel. Variety of the dynamics may be the manifestation of the fractal nature of aerogels which had a wide range of distribution of pore radii.

Equilibrium structures and flows of polar and nonpolar liquids in different carbon nanotubes

Science.gov (United States)

Abramyan, Andrey K.; Bessonov, Nick M.; Mirantsev, Leonid V.; Chevrychkina, Anastasiia A.

2018-03-01

Molecular dynamics (MD) simulations of equilibrium structures and flows of polar water and nonpolar methane confined by single-walled carbon nanotubes (SWCNTs) with circular and square cross sections and bounding walls with regular graphene structure and random (amorphous) distribution of carbon atoms have been performed. The results of these simulations show that equilibrium structures of both confined liquids depend strongly on the shape of the cross section of SWCNTs, whereas the structure of their bounding walls has a minor influence on these structures. On contrary, the external pressure driven water and methane flows through above mentioned SWCNTs depend significantly on both the shape of their cross sections and the structure of their bounding walls.

Discussions on the non-equilibrium effects in the quantitative phase field model of binary alloys

International Nuclear Information System (INIS)

Zhi-Jun, Wang; Jin-Cheng, Wang; Gen-Cang, Yang

2010-01-01

All the quantitative phase field models try to get rid of the artificial factors of solutal drag, interface diffusion and interface stretch in the diffuse interface. These artificial non-equilibrium effects due to the introducing of diffuse interface are analysed based on the thermodynamic status across the diffuse interface in the quantitative phase field model of binary alloys. Results indicate that the non-equilibrium effects are related to the negative driving force in the local region of solid side across the diffuse interface. The negative driving force results from the fact that the phase field model is derived from equilibrium condition but used to simulate the non-equilibrium solidification process. The interface thickness dependence of the non-equilibrium effects and its restriction on the large scale simulation are also discussed. (cross-disciplinary physics and related areas of science and technology)

X-RAY SIGNATURES OF NON-EQUILIBRIUM IONIZATION EFFECTS IN GALAXY CLUSTER ACCRETION SHOCK REGIONS

International Nuclear Information System (INIS)

Wong, Ka-Wah; Sarazin, Craig L.; Ji Li

2011-01-01

The densities in the outer regions of clusters of galaxies are very low, and the collisional timescales are very long. As a result, heavy elements will be under-ionized after they have passed through the accretion shock. We have studied systematically the effects of non-equilibrium ionization for relaxed clusters in the ΛCDM cosmology using one-dimensional hydrodynamic simulations. We found that non-equilibrium ionization effects do not depend on cluster mass, but depend strongly on redshift which can be understood by self-similar scaling arguments. The effects are stronger for clusters at lower redshifts. We present X-ray signatures such as surface brightness profiles and emission lines in detail for a massive cluster at low redshift. In general, soft emission (0.3-1.0 keV) is enhanced significantly by under-ionization, and the enhancement can be nearly an order of magnitude near the shock radius. The most prominent non-equilibrium ionization signature we found is the O VII and O VIII line ratio. The ratios for non-equilibrium ionization and collisional ionization equilibrium models are different by more than an order of magnitude at radii beyond half of the shock radius. These non-equilibrium ionization signatures are equally strong for models with different non-adiabatic shock electron heating efficiencies. We have also calculated the detectability of the O VII and O VIII lines with the future International X-ray Observatory (IXO). Depending on the line ratio measured, we conclude that an exposure of ∼130-380 ks on a moderate-redshift, massive regular cluster with the X-ray Microcalorimeter Spectrometer (XMS) on the IXO will be sufficient to provide a strong test for the non-equilibrium ionization model.

Critical dynamics a field theory approach to equilibrium and non-equilibrium scaling behavior

CERN Document Server

Täuber, Uwe C

2014-01-01

Introducing a unified framework for describing and understanding complex interacting systems common in physics, chemistry, biology, ecology, and the social sciences, this comprehensive overview of dynamic critical phenomena covers the description of systems at thermal equilibrium, quantum systems, and non-equilibrium systems. Powerful mathematical techniques for dealing with complex dynamic systems are carefully introduced, including field-theoretic tools and the perturbative dynamical renormalization group approach, rapidly building up a mathematical toolbox of relevant skills. Heuristic and qualitative arguments outlining the essential theory behind each type of system are introduced at the start of each chapter, alongside real-world numerical and experimental data, firmly linking new mathematical techniques to their practical applications. Each chapter is supported by carefully tailored problems for solution, and comprehensive suggestions for further reading, making this an excellent introduction to critic...

Non-equilibrium flow and sediment transport distribution over mobile river dunes

Science.gov (United States)

Hoitink, T.; Naqshband, S.; McElroy, B. J.

2017-12-01

Flow and sediment transport are key processes in the morphodynamics of river dunes. During floods in several rivers (e.g., the Elkhorn, Missouri, Niobrara, and Rio Grande), dunes are observed to grow rapidly as flow strength increases, undergoing an unstable transition regime, after which they are washed out in what is called upper stage plane bed. This morphological evolution of dunes to upper stage plane bed is the strongest bed-form adjustment during non-equilibrium flows and is associated with a significant change in hydraulic roughness and water levels. Detailed experimental investigations, however, have mostly focused on fixed dunes limited to equilibrium flow and bed conditions that are rare in natural channels. Our understanding of the underlying sedimentary processes that result into the washing out of dunes is therefore very limited. In the present study, using the Acoustic Concentration and Velocity Profiler (ACVP), we were able to quantify flow structure and sediment transport distribution over mobile non-equilibrium dunes. Under these non-equilibrium flow conditions average dune heights were decreasing while dune lengths were increasing. Preliminary results suggest that this morphological behaviour is due to a positive phase lag between sediment transport maximum and topographic maximum leading to a larger erosion on the dune stoss side compared to deposition on dune lee side.