High-pressure fluid phase equilibria phenomenology and computation
Deiters, Ulrich K
2012-01-01
The book begins with an overview of the phase diagrams of fluid mixtures (fluid = liquid, gas, or supercritical state), which can show an astonishing variety when elevated pressures are taken into account; phenomena like retrograde condensation (single and double) and azeotropy (normal and double) are discussed. It then gives an introduction into the relevant thermodynamic equations for fluid mixtures, including some that are rarely found in modern textbooks, and shows how they can they be used to compute phase diagrams and related properties. This chapter gives a consistent and axiomatic approach to fluid thermodynamics; it avoids using activity coefficients. Further chapters are dedicated to solid-fluid phase equilibria and global phase diagrams (systematic search for phase diagram classes). The appendix contains numerical algorithms needed for the computations. The book thus enables the reader to create or improve computer programs for the calculation of fluid phase diagrams. introduces phase diagram class...
Phase equilibria in chemical reactive fluid mixtures
International Nuclear Information System (INIS)
Maurer, Gerd
2011-01-01
Downstream processing is a major part of nearly all processes in the chemical industries. Most separation processes in the chemical (and related) industries for fluid mixtures are based on phase equilibrium phenomena. The majority of separation processes can be modelled assuming that chemical reactions are of no (or very minor) importance, i.e., assuming that the overall speciation remains unchanged during a separation process. However, there are also a large number of industrially important processes where the thermodynamic properties are influenced by chemical reactions. The phase equilibrium of chemical reactive mixtures has been a major research area of the author's group over nearly 40 years. In this contribution, three examples from that research are discussed. The first example deals with the vapour phase dimerisation of carboxylic acids and its consequences on phase equilibrium phenomena and phase equilibrium predictions. The second example deals with the solubility of sour gases (e.g., carbon dioxide and sulfur dioxide) in aqueous solutions of ammonia. That topic has been of interest for many years, e.g., in relation with the gasification and liquefaction of coal and, more recently, with the removal of carbon dioxide from flue gas in the 'chilled ammonia process'. The third example deals with phase equilibrium phenomena in aqueous solutions of polyelectrolytes. It deals with the phenomenon of 'counter ion condensation' and methods to model the Gibbs free energy of such solutions.
High-pressure fluid-phase equilibria: Experimental methods and systems investigated (2000-2004)
DEFF Research Database (Denmark)
Dohrn, Ralf; Peper, Stephanie; Fonseca, José
2010-01-01
As a part of a series of reviews, a compilation of systems for which high-pressure phase-equilibrium data were published between 2000 and 2004 is given. Vapor-liquid equilibria, liquid-liquid equilibria, vapor-liquid-liquid equilibria,solid-liquid equilibria, solid-vapor equilibria, solid-vapor-l...
MOLECULAR SIMULATION OF PHASE EQUILIBRIA FOR COMPLEX FLUIDS
Energy Technology Data Exchange (ETDEWEB)
Athanassios Z. Panagiotopoulos
2009-09-09
The general area of this project was the development and application of novel molecular simulation methods for prediction of thermodynamic and structural properties of complex polymeric, surfactant and ionic fluids. Over this project period, we have made considerable progress in developing novel algorithms to meet the computational challenges presented by the strong or long-range interactions in these systems and have generated data for well-defined mod-els that can be used to test theories and compare to experimental data. Overall, 42 archival papers and many invited and contributed presentations and lectures have been based on work supported by this project. 6 PhD, 1 M.S. and 2 postdoctoral students have been associated with this work, as listed in the body of the report.
Molecular Simulation Of Phase Equilibria For Complex Fluids
International Nuclear Information System (INIS)
Panagiotopoulos, Athanassios Z.
2009-01-01
The general area of this project was the development and application of novel molecular simulation methods for prediction of thermodynamic and structural properties of complex polymeric, surfactant and ionic fluids. Over this project period, we have made considerable progress in developing novel algorithms to meet the computational challenges presented by the strong or long-range interactions in these systems and have generated data for well-defined mod-els that can be used to test theories and compare to experimental data. Overall, 42 archival papers and many invited and contributed presentations and lectures have been based on work supported by this project. 6 PhD, 1 M.S. and 2 postdoctoral students have been associated with this work, as listed in the body of the report.
Kou, Jisheng; Sun, Shuyu; Wang, Xiuhua
2016-01-01
In this paper, we propose an energy-stable evolution method for the calculation of the phase equilibria under given volume, temperature, and moles (VT-flash). An evolution model for describing the dynamics of two-phase fluid system is based on Fick
DEFF Research Database (Denmark)
Gharnati, Loubna; Musko, Nikolai; Jensen, Anker Degn
2013-01-01
-cyclic guanidinium bromide on SBA-15 (HEPCGBr/SBA-15) as catalyst in the absence of any co-catalyst. It was found that the yield was strongly dependent on the amount of CO2 added to the system and that the phase behavior strongly changes along the reaction pathway. The Cubic-Plus-Association (CPA) equation of state...... was used to predict the phase behavior during the reaction and the number and composition of coexisting phases in the multicomponent reaction system were determined. In accordance with the experimental data, the maximum conversion was achieved in the transition region between the two- and the one-phase...... region where a CO2-expanded reactant/product phase (larger volume due to the dissolution of carbon dioxide in the liquid phase) is present. Optimal conditions for performing the reaction have been derived which requires consideration not only of the phase behavior of the starting phase but also...
Equation-of-State Modeling of Phase Equilibria in Petroleum Fluids
DEFF Research Database (Denmark)
Jørgensen, Marianne
1996-01-01
The Soave-Redlich-Kwong (SRK) equation of state was used to investigate and develop several aspects of the modeling of natural petroleum fluids.A new method was presented for numerical evaluation of PVT experiments. This method was used in the estimation of binary interaction parameters. A comphr......The Soave-Redlich-Kwong (SRK) equation of state was used to investigate and develop several aspects of the modeling of natural petroleum fluids.A new method was presented for numerical evaluation of PVT experiments. This method was used in the estimation of binary interaction parameters....... A comphrensive study of pseudoization procedures is presented. It is concluded that the compared methods exhibit results of comparable accuracy, and that six to eight pseudocomponents are needed for optimal representation of petroleum fluids.Finally, it is investigated how well the EOS can represent the VLLE...
High-pressure fluid-phase equilibria: Experimental methods and systems investigated (2005-2008)
DEFF Research Database (Denmark)
Fonseca, José; Dohrn, Ralf; Peper, Stephanie
2011-01-01
%) have carbon dioxide as one of the components. Information on 206 pure components, 535 ternary systems of which 355 (66%) contain carbon dioxide, 163 multicomponent and complex systems, and 207 systems with hydrates is given. A continuation of the review series is planned, covering the years from 2009...... points, the solubility of high-boiling substances in supercritical fluids, the solubility of gases in liquids and the solubility (sorption) of volatile components in polymers are included. Most of experimental data in the literature has been given for binary systems. Of the 1469 binary systems, 796 (54...
DEFF Research Database (Denmark)
Karakatsani, Eirini; Kontogeorgis, Georgios; Economou, Ioannis
2006-01-01
Perturbed chain-statistical associating fluid theory (PC-SAFT) was extended rigorously to polar fluids based on the theory of Stell and co-workers [Mol. Phys. 1977, 33, 987]. The new PC-PSAFT was simplified to truncated PC-PSAFT (tPC-PSAFT) so that it can be practical for real polar fluid...
Equilibres de phases dans les systèmes fluides petroliers-eau Phase Equilibria in Oil-Water Systems
Directory of Open Access Journals (Sweden)
Peneloux A.
2006-11-01
Full Text Available Nous présentons quelques résultats obtenus à partir du logiciel FHYD qui permet le traitement des mélanges eau-fluides pétroliers, avec la détermination de la nature des phases (huile-gaz-eau-hydrate thermodynamiquement stables dans des conditions données de température et de pression, ainsi que de la quantité, de la composition de ces différentes phases et de leurs propriétés. Ce logiciel permet le tracé automatique des diagrammes de phases et nous présentons des exemples, depuis les systèmes binaires (eau-éthane, ternaires (eau-méthane-propane jusqu'aux fluides les plus complexes. La présence de sels (chlorure de sodium dissous est envisagée, ainsi que le calcul des conditions de dépôt du sel solide. Des exemples de problèmes pétroliers sont cités (gaz de séparateur saturé en eau, huile saturée en eau dans les conditions de gisement, huile en présence d'eau salée. Les estimations sur les quantités d'hydrate formées et leurs compositions sont comparées à des données expérimentales et aux résultats obtenus par d'autres logiciels. Le programme FHYD pourrait permettre une représentation plus réaliste de l'évolution des fluides pétroliers et des propriétés de transport de leurs différentes phases dans les modèles de simulation des conduites polyphasiques. This article presents a selection of results obtained with the FHYD program. This software allows simulation of mixtures composed of petroleum fluids and water, with determination of the nature of thermodynamically stable phases (oil-gas-water-hydrate under given conditions of temperature and pressure, along with the quantity, composition and properties of these different phases. Additionally, the program can automatically produce phase diagrams. Several examples of these have been included here, ranging from binary systems (water-ethane and ternary systems (water-methane-propane to the most complex petroleum fluids. The presence of dissolved salts
Two-fluid equilibria with flow
International Nuclear Information System (INIS)
Steinhauer, L.
1999-01-01
The formalism is developed for flowing two-fluid equilibria. The equilibrium system is governed by a pair of second order partial differential equations for the magnetic stream function and the ion stream function plus a Bernoulli-like equation for the density. There are six arbitrary surface function. There are separate characteristic surfaces for each species, which are the guiding-center surfaces. This system is a generalization of the familiar Grad-Shafranov system for a single-fluid equilibrium without flow, which has only one equation and two arbitrary surface functions. In the case of minimum energy equilibria, the six surface functions take on particular forms. (author)
Phase equilibria basic principles, applications, experimental techniques
Reisman, Arnold
2013-01-01
Phase Equilibria: Basic Principles, Applications, Experimental Techniques presents an analytical treatment in the study of the theories and principles of phase equilibria. The book is organized to afford a deep and thorough understanding of such subjects as the method of species model systems; condensed phase-vapor phase equilibria and vapor transport reactions; zone refining techniques; and nonstoichiometry. Physicists, physical chemists, engineers, and materials scientists will find the book a good reference material.
On Equilibria of the Two-fluid Model in Magnetohydrodynamics
International Nuclear Information System (INIS)
Frantzeskakis, Dimitri J.; Stratis, Ioannis G.; Yannacopoulos, Athanasios N.
2004-01-01
We show how the equilibria of the two-fluid model in magnetohydrodynamics can be described by the double curl equation and through the study of this equation we study some properties of these equilibria
High temperature phase equilibria and phase diagrams
Kuo, Chu-Kun; Yan, Dong-Sheng
2013-01-01
High temperature phase equilibria studies play an increasingly important role in materials science and engineering. It is especially significant in the research into the properties of the material and the ways in which they can be improved. This is achieved by observing equilibrium and by examining the phase relationships at high temperature. The study of high temperature phase diagrams of nonmetallic systems began in the early 1900s when silica and mineral systems containing silica were focussed upon. Since then technical ceramics emerged and more emphasis has been placed on high temperature
International Nuclear Information System (INIS)
Orkoulas, G.; Panagiotopoulos, A.Z.
1994-01-01
In this work, we investigate the liquid--vapor phase transition of the restricted primitive model of ionic fluids. We show that at the low temperatures where the phase transition occurs, the system cannot be studied by conventional molecular simulation methods because convergence to equilibrium is slow. To accelerate convergence, we propose cluster Monte Carlo moves capable of moving more than one particle at a time. We then address the issue of charged particle transfers in grand canonical and Gibbs ensemble Monte Carlo simulations, for which we propose a biased particle insertion/destruction scheme capable of sampling short interparticle distances. We compute the chemical potential for the restricted primitive model as a function of temperature and density from grand canonical Monte Carlo simulations and the phase envelope from Gibbs Monte Carlo simulations. Our calculated phase coexistence curve is in agreement with recent results of Caillol obtained on the four-dimensional hypersphere and our own earlier Gibbs ensemble simulations with single-ion transfers, with the exception of the critical temperature, which is lower in the current calculations. Our best estimates for the critical parameters are T * c =0.053, ρ * c =0.025. We conclude with possible future applications of the biased techniques developed here for phase equilibrium calculations for ionic fluids
Kou, Jisheng
2016-02-25
In this paper, we propose an energy-stable evolution method for the calculation of the phase equilibria under given volume, temperature, and moles (VT-flash). An evolution model for describing the dynamics of two-phase fluid system is based on Fick’s law of diffusion for multi-component fluids and the Peng-Robinson equation of state. The mobility is obtained from diffusion coefficients by relating the gradient of chemical potential to the gradient of molar density. The evolution equation for moles of each component is derived using the discretization of diffusion equations, while the volume evolution equation is constructed based on the mechanical mechanism and the Peng-Robinson equation of state. It is proven that the proposed evolution system can well model the VT-flash problem, and moreover, it possesses the property of total energy decay. By using the Euler time scheme to discretize this evolution system, we develop an energy stable algorithm with an adaptive choice strategy of time steps, which allows us to calculate the suitable time step size to guarantee the physical properties of moles and volumes, including positivity, maximum limits, and correct definition of the Helmhotz free energy function. The proposed evolution method is also proven to be energy-stable under the proposed time step choice. Numerical examples are tested to demonstrate efficiency and robustness of the proposed method.
DEFF Research Database (Denmark)
Musko, Nikolai; Jensen, Anker Degn; Baiker, Alfons
2012-01-01
Knowledge of the phase behaviour and composition is of paramount importance for understanding multiphase reactions. We have investigated the effect of the phase behaviour in the palladium-catalysed selective hydrogenation of 2-butenal to saturated butanal in dense carbon dioxide. The reactions were...... cell. The results of the catalytic experiments showed that small amounts of carbon dioxide added to the system significantly decrease the conversion, whereas at higher loadings of CO2 the reaction rate gradually increases reaching a maximum. The CPA calculations revealed that this maximum is achieved...... performed using a 5wt% Pd on activated carbon in custom-designed high pressure autoclaves at 323K. The Cubic-Plus-Association (CPA) equation of state was employed to model the phase behaviour of the experimentally studied systems. CPA binary interaction parameters were estimated based on the experimental...
Van Pelt, A.
1992-01-01
I. INTRODUCTION AND THEORY This PhD research is mainly concerned with the global phase behaviour, that is calculated from the Simplified-Perturbed-Hard-Chain equation. This equation distinguishes itself from many other equations of state by a sound theoretical background. We enter the field of the
Solid-phase equilibria on Pluto's surface
Tan, Sugata P.; Kargel, Jeffrey S.
2018-03-01
Pluto's surface is covered by volatile ices that are in equilibrium with the atmosphere. Multicomponent phase equilibria may be calculated using a thermodynamic equation of state and, without additional assumptions, result in methane-rich and nitrogen-rich solid phases. The former is formed at temperature range between the atmospheric pressure-dependent sublimation and condensation points, while the latter is formed at temperatures lower than the sublimation point. The results, calculated for the observed 11 μbar atmospheric pressure and composition, are consistent with recent work derived from observations by New Horizons.
Phase equilibria and phase structures of polymer blends
International Nuclear Information System (INIS)
Chalykh, Anatolii E; Gerasimov, Vladimir K
2004-01-01
Experimental, methodical and theoretical studies dealing with phase equilibria and phase structures of polymer blends are generalised. The general and specific features of the change in solubility of polymers with changes in the molecular mass and copolymer composition and upon the formation of three-dimensional cross-linked networks are described. The results of the effect of the prehistory on the phase structure and the non-equilibrium state of polymer blends are considered in detail.
Phase equilibria in the niobium-vanadium-hydrogen system
Energy Technology Data Exchange (ETDEWEB)
Bethin, J. (Grumman Aerospace Corp., Bethpage, NY (USA)); Welch, D.O. (Brookhaven National Lab., Upton, NY (USA)); Pick, M.A. (Commission of the European Communities, Abingdon (UK). JET Joint Undertaking)
1990-01-01
The effect of vanadium additions to niobium on the metal-hydrogen phase equilibria has been studied. Measurements of the equilibrium H{sub 2}(D{sub 2}) pressure-composition-temperature isotherms for Nb{sub 1-x}V{sub x} alloys with 0{le}x<0.2 were used to determine the depression of the {alpha} - {alpha}' critical temperature with increasing vanadium concentration. A simple lattice-fluid model guided reduction of the data. Changes in the triple point temperature as well as the shift of the {zeta} {yields} {epsilon} phase transition were determined by differential scanning calorimetry measurements. A rapid overall depression was found, of the order of 7 K (at.% substituted V){sup -1}, for the metal-hydrogen (deuterium) phase boundary structure when compared with the Nb-H system in the hydrogen concentration range of interest. The results explain the enhanced terminal solubility of hydrogen in this system found previously by other authors. The changes in the phase equilibria are discussed in terms of the effect of hydrogen trapping and compared with the results of a cluster-variation calculation for random-field systems of previous authors, taking into account a distribution of H-site energies due to alloying. (author).
Nonlinear stability of ideal fluid equilibria
International Nuclear Information System (INIS)
Holm, D.D.
1988-01-01
The Lyapunov method for establishing stability is related to well- known energy principles for nondissipative dynamical systems. A development of the Lyapunov method for Hamiltonian systems due to Arnold establishes sufficient conditions for Lyapunov stability by using the energy plus other conserved quantities, together with second variations and convexity estimates. When treating the stability of ideal fluid dynamics within the Hamiltonian framework, a useful class of these conserved quantities consists of the Casimir functionals, which Poisson-commute with all functionals of the dynamical fluid variables. Such conserved quantities, when added to the energy, help to provide convexity estimates that bound the growth of perturbations. These convexity estimates, in turn, provide norms necessary for establishing Lyapunov stability under the nonlinear evolution. In contrast, the commonly used second variation or spectral stability arguments only prove linearized stability. As ideal fluid examples, in these lectures we discuss planar barotropic compressible fluid dynamics, the three-dimensional hydrostatic Boussinesq model, and a new set of shallow water equations with nonlinear dispersion due to Basdenkov, Morosov, and Pogutse[1985]. Remarkably, all three of these samples have the same Hamiltonian structure and, thus, possess the same Casimir functionals upon which their stability analyses are based. We also treat stability of modified quasigeostrophic flow, a problem whose Hamiltonian structure and Casimirs closely resemble Arnold's original example. Finally, we discuss some aspects of conditional stability and the applicability of Arnold's development of the Lyapunov technique. 100 refs
Phase equilibria of carbohydrates in polar solvents
DEFF Research Database (Denmark)
Jonsdottir, Svava Osk; Rasmussen, Peter
1999-01-01
A method for calculating interaction energies and interaction parameters with molecular mechanics methods is extended to predict solid-liquid equilibria (SLE) for saccharides in aqueous solution, giving results in excellent agreement with experimental values. Previously, the method has been shown...
Gas hydrate phase equilibria measurement techniques and phase rule considerations
International Nuclear Information System (INIS)
Beltran, Juan G.; Bruusgaard, Hallvard; Servio, Phillip
2012-01-01
Highlights: → Inconsistencies found in hydrate literature. → Clarification to the number of variables needed to satisfy and justify equilibrium data. → Application of phase rule to mixed hydrate systems. → Thermodynamically consistent format to present data. - Abstract: A brief review of the Gibbs phase rule for non-reacting systems and its correct application to clathrate hydrates is presented. Clarification is provided for a common mistake found in hydrate phase-equilibria literature, whereby initial compositions are used as intensive variables to satisfy the Gibbs phase rule instead of the equilibrium values. The system of (methane + carbon dioxide + water) under (hydrate + liquid + vapor) equilibrium is used as a case study to illustrate key points and suggestions to improve experimental techniques are proposed.
Directory of Open Access Journals (Sweden)
Stamataki S. K.
2006-11-01
Full Text Available The capabilities of cubic Equations of State (EoS in the correlation and the prediction of phase equilibria at hyperbaric conditions is examined. PVT data of pure compounds as well as VLE and volumetric data of binary mixtures up to 2000 bar are used. Correlation and prediction results are presented with the translated and modified Peng-Robinson (t - mPR EoS and EoS/GE models. The performance of cubic EoS with a single interaction parameter (kij in describing VLE is remarkable considering the level of pressures involved. The same is valid for the PVT results including the relative liquid volumes of the C1/nC24 system. With typical errors of about 10% deviations in pressure of 100 - 200 bar are, of course, encountered which can be eliminated by the use of second interaction coefficient in the covolume combining rule. Predicted kij values obtained from generalized correlations developed from low pressure VLE data provide reasonable results for systems with hydrocarbons up to nC16 even at high pressures, but fail for higher asymmetric ones. Volume translation is essential for PVT predictions. The temperature independent translation of t - mPR and that of Jhaveri and Yougren give very satisfactory results. LCVM provides the best results of the EoS/GE models studied and gives very good predictions for rather symmetric systems which become poorer with asymmetric ones at very high pressures. La capacité des équations d'état (EoS cubiques pour corréler et prédire les équilibres de phases en conditions hyperbares est analysée. Les données PVT de corps purs ainsi que les données d'équilibres liquide-vapeur (VLE et volumétriques pour des mélanges binaires, jusqu'à 2000 bar sont utilisées. Les résultats des corrélations et des prédictions sont présentés pour l'équation de Peng-Robinson translatée et modifiée (t - mPR, ainsi que pour les modèles EoS/GE. Les performances des EoS cubiques avec un paramètre d'interaction unique (kij pour
Stability of equilibria for a two-phase osmosis model
Lippoth, F.; Prokert, G.
2012-01-01
For a two-phase moving boundary problem modelling the motion of a semipermeable membrane by osmotic pressure and surface tension, we prove that the manifold of equilibria is locally exponentially attractive. Our method relies on maximal regularity results for parabolic systems with relaxation type
Predicting phase equilibria in one-component systems
Korchuganova, M. R.; Esina, Z. N.
2015-07-01
It is shown that Simon equation coefficients for n-alkanes and n-alcohols can be modeled using critical and triple point parameters. Predictions of the phase liquid-vapor, solid-vapor, and liquid-solid equilibria in one-component systems are based on the Clausius-Clapeyron relation, Van der Waals and Simon equations, and the principle of thermodynamic similarity.
Phase diagrams and heterogeneous equilibria a practical introduction
Predel, Bruno; Pool, Monte
2004-01-01
This graduate-level textbook provides an introduction to the practical application of phase diagrams. It is intended for students and researchers in chemistry, metallurgy, mineralogy, and materials science as well as in engineering and physics. Heterogeneous equilibria are described by a minimum of theory illustrated by practical examples and realistic case discussions from the different fields of application. The treatment of the physical and energetic background of phase equilibria leads to the discussion of the thermodynamics of mixtures and the correlation between energetics and composition. Thus, tools for the prediction of energetic, structural, and physical quantities are provided. The authors treat the nucleation of phase transitions, the production and stability of technologically important metastable phases, and metallic glasses. Furthermore, the text also concisely presents the thermodynamics and composition of polymer systems.
Extended Group Contribution Model for Polyfunctional Phase Equilibria
DEFF Research Database (Denmark)
Abildskov, Jens
of physical separation processes. In a thermodynamic sense, design requires detailed knowledge of activity coefficients in the phases at equilibrium. The prediction of these quantities from a minimum of experimental data is the broad scope of this thesis. Adequate equations exist for predicting vapor......Material and energy balances and equilibrium data form the basis of most design calculations. While material and energy balances may be stated without much difficulty, the design engineer is left with a choice between a wide variety of models for describing phase equilibria in the design......-liquid equilibria from data on binary mixtures, composed of structurally simple molecules with a single functional group. More complex is the situation with mixtures composed of structurally more complicated molecules or molecules with more than one functional group. The UNIFAC method is extended to handle...
On phase equilibria in duplex stainless steels
Energy Technology Data Exchange (ETDEWEB)
Wessman, S. [Swerea KIMAB AB, Stockholm (Sweden); Pettersson, R. [Outokumpu Stainless AB, Avesta Research Centre, Avesta (Sweden); Hertzman, S. [Outokumpu Stainless Research Foundation, Stockholm (Sweden)
2010-05-15
The equilibrium conditions of four duplex stainless steels; Fe-23Cr-4.5Ni-0.1N, Fe-22Cr-5.5Ni-3Mo-0.17N, Fe-25Cr-7Ni-4Mo-0.27N and Fe-25Cr-7Ni-4Mo-1W-1.5Cu-0.27N were studied in the temperature region from 700 to 1000 C. Phase compositions were determined with SEM EDS and the phase fractions using image analysis on backscattered SEM images. The results showed that below 1000 C the steels develop an inverse duplex structure with austenite and sigma phase, of which the former is the matrix phase. With decreasing temperature, the microstructure will be more and more complex and finely dispersed. The ferrite is, for the higher alloyed steels, only stable above 1000 C and at lower temperatures disappears in favour of intermetallic phases. The major intermetallic phase is sigma phase with small amounts of chi phase, the latter primarily in high Mo and W grades. Nitrides, not a focus in this investigation, were present as rounded particles and acicular precipitates at lower temperatures. The results were compared to theoretical predictions using the TCFE5 and TCFE6 databases. (Abstract Copyright [2010], Wiley Periodicals, Inc.)
Modeling of Phase Equilibria Containing Associating Fluids
DEFF Research Database (Denmark)
Derawi, Samer; Kontogeorgis, Georgios
. The background and main targets for this thesis are presented in Chapter 1. In Chapter 2, a comprehensive review of the application of group contribution (GC) models such as various forms of UNIFAC and the so-called AFC (Atom and Fragment Contributions) correlation model for Pow (octanol-water partition...
Phase Equilibria Relationships of High-Tc Superconductors
International Nuclear Information System (INIS)
Wong-Ng, Winnie
2011-01-01
As an integral part of a R and D program partially supported by the Electricity Delivery and Energy Reliability Office of DOE, we have determined phase equilibria data and phase diagrams for the three generations of superconductor materials: 1st generation, (Bi,Pb)-Sr-Ca- Cu-O systems; 2nd generation, Ba-R-Cu-O systems (R=lanthanides and yttrium); and 3rd generation, MgB2 systems. Our studies involved bulk materials, single crystals and thin films. This report gives a summary of our accomplishments, a list of publications, and 15 selected journal publications.
High temperature interdiffusion and phase equilibria in U-Mo
International Nuclear Information System (INIS)
Lundberg, L.B.
1988-01-01
Experimental data for interdiffusion and phase equilibria in the U-Mo system have been obtained over the temperature range 1400 to 1525 K as a fallout from compatibility experiments in which UO 2 was decomposed by lithium in closed molybdenum capsules. Composition-position, x-ray diffraction and microstructural data from the interdiffusion zones indicate that the intermediate phase U 2 Mo is found in this temperature range, contrary to the currently accepted equilibrium U-Mo phase diagram. The U-Mo interdiffusion data are in good agreement with published values. Inclusion of the U 2 Mo phase in a theoretical correlation of interdiffusion and phase equilibria data using Darken's equation indicate that high temperature interdiffusion of uranium and molybdenum follows the usual thermodynamic rules. Significant changes in the value of the thermodynamic based Darken factor near the U 2 Mo phase boundary on the high uranium side are indicated from both the new and published interdiffusion data. 9 refs., 10 figs., 3 tabs
Phase equilibria of the Mo-Al-Ho ternary system
Energy Technology Data Exchange (ETDEWEB)
Li, Yitai; Chen, Xiaoxian; Liu, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Laboratory of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry
2017-08-15
Investigation into the reactions and phase equilibria of transition metal elements (i.e. Mo, Zr, Cr, V and Ti), Al and rare earths is academically and industrially important for the development of both refractory alloys and lightweight high-temperature materials. In this work, the equilibria of the Mo-Al-Ho ternary system at 773 K have been determined by using X-ray powder diffraction and scanning electron microscopy equipped with energy dispersive X-ray analysis. A new ternary phase Al{sub 4}Mo{sub 2}Ho has been found and the other ternary phase Al{sub 43}Mo{sub 4}Ho{sub 6} is observed. Ten binary phases in the Al-Mo and Al-Ho systems, including Al{sub 17}Mo{sub 4} rather than Al{sub 4}Mo, have been determined to exist at 773 K. The homogeneity ranges of AlMo{sub 3} and Al{sub 8}Mo{sub 3} phase are 7.5 at.% and 1 at.%, respectively. According to the phase-disappearing method, the maximum solubility of Al in Mo is about 16 at.%.
International Nuclear Information System (INIS)
Prikhodko, I.V.; Victorov, A.I.; Loos, Th.W.de
1995-01-01
A contract-site quasichemical equation of state has been used for the modeling of different kinds of fluid phase equilibria (between a gas phase and one or more liquids) over a wide range of conditions. Among the systems of interest are the ternary mixtures water + alkanols + hydrocarbons (alkanes or alkynes), water + alkanols (or acetone) + CO 2 , water + polyoxyethyleneglycol ethers + heavy alkanes. The model has been applied to describing the thermodynamic properties of the binary subsystems and to predict the phase behavior of the ternary systems. For longer-chain alkanols and hydrocarbons a group-contribution approach is implemented, which allows the modeling when no experimental data are available. The model gives reasonable predictions of phase behavior and the correct trends in the calculated phase diagrams in most cases. The concentrations of associates in liquid and gas phases are estimated by the model and compared with some experimental and computer simulation data. The predictive abilities of the model, its limitations, and possible ways of its improvement are discussed
Electronic structure and phase equilibria in ternary substitutional alloys
International Nuclear Information System (INIS)
Traiber, A.J.S.; Allen, S.M.; Waterstrat, R.M.
1996-01-01
A reliable, consistent scheme to study phase equilibria in ternary substitutional alloys based on the tight-binding approximation is presented. With electronic parameters from linear muffin-tin orbital calculations, the computed density of states and band structures compare well with those from more accurate abinitio calculations. Disordered alloys are studied within the tight-binding coherent-potential approximation extended to alloys; energetics of ordered systems are obtained through effective pair interactions computed with the general perturbation method; and partially ordered alloys are studied with a novel simplification of the molecular coherent-potential approximation combined with the general perturbation method. The formalism is applied to bcc-based Zr-Ru-Pd alloys which are promising candidates for medical implant devices. Using energetics obtained from the above scheme, we apply the cluster- variation method to study phase equilibria for particular pseudo- binary alloys and show that results are consistent with observed behavior of electronic specific heat coefficient with composition for Zr 0.5 (Ru, Pd) 0.5
Evaluation of Thermodynamic Models for Predicting Phase Equilibria of CO2 + Impurity Binary Mixture
Shin, Byeong Soo; Rho, Won Gu; You, Seong-Sik; Kang, Jeong Won; Lee, Chul Soo
2018-03-01
For the design and operation of CO2 capture and storage (CCS) processes, equation of state (EoS) models are used for phase equilibrium calculations. Reliability of an EoS model plays a crucial role, and many variations of EoS models have been reported and continue to be published. The prediction of phase equilibria for CO2 mixtures containing SO2, N2, NO, H2, O2, CH4, H2S, Ar, and H2O is important for CO2 transportation because the captured gas normally contains small amounts of impurities even though it is purified in advance. For the design of pipelines in deep sea or arctic conditions, flow assurance and safety are considered priority issues, and highly reliable calculations are required. In this work, predictive Soave-Redlich-Kwong, cubic plus association, Groupe Européen de Recherches Gazières (GERG-2008), perturbed-chain statistical associating fluid theory, and non-random lattice fluids hydrogen bond EoS models were compared regarding performance in calculating phase equilibria of CO2-impurity binary mixtures and with the collected literature data. No single EoS could cover the entire range of systems considered in this study. Weaknesses and strong points of each EoS model were analyzed, and recommendations are given as guidelines for safe design and operation of CCS processes.
Metamorphism and partial melting of ordinary chondrites: Calculated phase equilibria
Johnson, T. E.; Benedix, G. K.; Bland, P. A.
2016-01-01
Constraining the metamorphic pressures (P) and temperatures (T) recorded by meteorites is key to understanding the size and thermal history of their asteroid parent bodies. New thermodynamic models calibrated to very low P for minerals and melt in terrestrial mantle peridotite permit quantitative investigation of high-T metamorphism in ordinary chondrites using phase equilibria modelling. Isochemical P-T phase diagrams based on the average composition of H, L and LL chondrite falls and contoured for the composition and abundance of olivine, ortho- and clinopyroxene, plagioclase and chromite provide a good match with values measured in so-called equilibrated (petrologic type 4-6) samples. Some compositional variables, in particular Al in orthopyroxene and Na in clinopyroxene, exhibit a strong pressure dependence when considered over a range of several kilobars, providing a means of recognising meteorites derived from the cores of asteroids with radii of several hundred kilometres, if such bodies existed at that time. At the low pressures (recorders of peak conditions. The intersection of isopleths of these variables may allow pressures to be quantified, even at low P, permitting constraints on the minimum size of parent asteroid bodies. The phase diagrams predict the onset of partial melting at 1050-1100 °C by incongruent reactions consuming plagioclase, clinopyroxene and orthopyroxene, whose compositions change abruptly as melting proceeds. These predictions match natural observations well and support the view that type 7 chondrites represent a suprasolidus continuation of the established petrologic types at the extremes of thermal metamorphism. The results suggest phase equilibria modelling has potential as a powerful quantitative tool in investigating, for example, progressive oxidation during metamorphism, the degree of melting and melt loss or accumulation required to produce the spectrum of differentiated meteorites, and whether the onion shell or rubble pile
Energetically resolved multiple-fluid equilibria of tokamak plasmas
International Nuclear Information System (INIS)
Hole, M J; Dennis, G
2009-01-01
In many magnetically confined fusion experiments, a significant fraction of the stored energy of the plasma resides in energetic, or non-thermal, particle populations. Despite this, most equilibrium treatments are based on MHD: a single fluid treatment which assumes a Maxwell-Boltzmann distribution function. Detailed magnetic reconstruction based on this treatment ignore the energetic complexity of the plasma and can result in model-data inconsistencies, such as thermal pressure profiles which are inconsistent with the total stored kinetic energy of the plasma. Alternatively, ad hoc corrections to the pressure profile, such as summing the energetic and thermal pressures, have poor theoretical justification. Motivated by this omission, we generalize ideal MHD one step further: we consider multiple quasi-neutral fluids, each in thermal equilibrium and each thermally insulated from each other-no population mixing occurs. Kinetically, such a model may be able to describe the ion or electron distribution function in regions of velocity phase space with a large number of particles, at the expense of more weakly populated phase space, which may have uncharacteristically high temperature and hence pressure. As magnetic equilibrium effects increase with the increase in pressure, our work constitutes an upper limit to the effect of energetic particles. When implemented into an existing solver, FLOW (Guazzotto et al 2004 Phys. Plasmas 11, 604-14), it becomes possible to qualitatively explore the impact of resolving the energetic populations on plasma equilibrium configurations in realistic geometry. Deploying the modified code, FLOW-M, on a high performance spherical torus configuration, we find that the effect of variations of the pressure, poloidal flow and toroidal flow of the energetic populations is qualitatively similar to variations in the background plasma. We also study the robustness of the equilibrium to uncertainties in the current profile and the energetic
Phase equilibria and molecular interaction studies on (naphthols + vanillin) systems
International Nuclear Information System (INIS)
Gupta, Preeti; Agrawal, Tanvi; Das, Shiva Saran; Singh, Nakshatra Bahadur
2012-01-01
Highlights: ► Phase equilibria of (naphthol + vanillin) systems have been studied for the first time. ► Eutectic type phase diagrams are obtained. ► Eutectic mixtures show nonideal behaviour. ► There is a weak molecular interaction between the components in the eutectic mixtures. ► α-Naphthol–vanillin eutectic is more stable as compared to β-naphthol–vanillin. - Abstract: Phase equilibria between (α-naphthol + vanillin) and (β-naphthol + vanillin) systems have been studied by thaw-melt method and the results show the formation of simple eutectic mixtures. Crystallization velocities of components and eutectic mixtures were determined at different stages under cooling. With the help of differential scanning calorimeter (DSC), the enthalpy of fusion of components and eutectic mixtures was determined and from the values excess thermodynamic functions viz., excess Gibbs free energy (G E ), excess entropy (S E ), excess enthalpy (H E ) of hypo-, hyper- and eutectic mixtures were calculated. Flexural strength measurements were made in order to understand the non-ideal nature of eutectics. FT-IR spectral studies indicate the formation of hydrogen bond in the eutectic mixture. Anisotropic and isotropic microstructural studies of components, hypo-, hyper- and eutectic mixtures were made. Jackson’s roughness parameter was calculated and found to be greater than 2 suggesting the faceted morphology with irregular structures. The overall results have shown that there is a weak molecular interaction between the components in the eutectic mixtures and the (α-naphthol + vanillin) eutectic is more stable as compared to the (β-naphthol + vanillin) eutectic system.
Phase Equilibria of Sn-Co-Cu Ternary System
Chen, Yu-Kai; Hsu, Chia-Ming; Chen, Sinn-Wen; Chen, Chih-Ming; Huang, Yu-Chih
2012-10-01
Sn-Co-Cu ternary alloys are promising lead-free solders, and isothermal sections of Sn-Co-Cu phase equilibria are fundamentally important for the alloys' development and applications. Sn-Co-Cu ternary alloys were prepared and equilibrated at 523 K, 1073 K, and 1273 K (250 °C, 800 °C, and 1000 °C), and the equilibrium phases were experimentally determined. In addition to the terminal solid solutions and binary intermetallic compounds, a new ternary compound, Sn3Co2Cu8, was found. The solubilities of Cu in the α-CoSn3 and CoSn2 phases at 523 K (250 °C) are 4.2 and 1.6 at. pct, respectively, while the Cu solubility in the α-Co3Sn2 phase is as high as 20.0 at. pct. The Cu solubility increases with temperature and is around 30.0 at. pct in the β-Co3Sn2 at 1073 K (800 °C). The Co solubility in the η-Cu6Sn5 phase is also significant and is 15.5 at. pct at 523 K (250 °C).
Moulas, E.; Caddick, M. J.; Tisato, N.; Burg, J.-P.
2012-04-01
The investigation of metamorphic phase equilibria, using software packages that perform thermodynamic calculations, involves a series of important assumptions whose validity can often be questioned but are difficult to test. For example, potential influences of deformation on phase relations, and modification of effective reactant composition (X) at successive stages of equilibrium may both introduce significant uncertainty into phase diagram calculations. This is generally difficult to model with currently available techniques, and is typically not well quantified. We present here a method to investigate such phenomena along pre-defined Pressure-Temperature (P-T) paths, calculating local equilibrium via Gibbs energy minimization. An automated strategy to investigate complex changes in the effective equilibration composition has been developed. This demonstrates the consequences of specified X modification and, more importantly, permits automated calculation of X changes that are likely along the requested path if considering several specified processes. Here we describe calculations considering two such processes and show an additional example of a metamorphic texture that is difficult to model with current techniques. Firstly, we explore the assumption that although water saturation and bulk-rock equilibrium are generally considered to be valid assumptions in the calculation of phase equilibria, the saturation of thermodynamic components ignores mechanical effects that the fluid/melt phase can impose on the rock, which in turn can modify the effective equilibrium composition. Secondly, we examine how mass fractionation caused by porphyroblast growth at low temperatures or progressive melt extraction at high temperatures successively modifies X out of the plane of the initial diagram, complicating the process of determining best-fit P-T paths for natural samples. In particular, retrograde processes are poorly modeled without careful consideration of prograde
Vapour-liquid equilibria of the hard core Yukawa fluid
Smit, B.; Frenkel, D.
1991-01-01
Techniques which extend the range of applicability of the Gibbs ensemble technique for particles which interact with a hard core potential are described. The power of the new technique is demonstrated in a numerical study of the vapour-liquid coexistence curve of the hard core Yukawa fluid.
International Nuclear Information System (INIS)
Ipser, H.; Richter, K.; Micke, K.
1997-01-01
In order to investigate the stability of ohmic contacts to compound semiconductors, it is necessary to know the phase equilibria in the corresponding multi-component systems. We are currently studying the phase equilibria and thermophysical properties of several ternary systems which are of interest in view of the use of nickel, palladium and platinum as contact materials for GaSb and InSb compound semiconductors: Ga-Ni-Sb, In-Ni-Sb, Ga-Pd-Sb and Ga-Pt-Sb. Phase equilibria are investigated by thermal analyses, X-ray powder diffraction methods as well as electron microprobe analysis. Thermodynamic properties are derived from vapour pressure measurements using an isopiestic method. It is planned to combine all information on phase equilibria and thermochemistry for the ternary and the limiting binary systems to perform an optimization of the ternary systems by computer calculations using standard software. (author)
Spectral analysis of viscous static compressible fluid equilibria
Energy Technology Data Exchange (ETDEWEB)
Nunez, Manuel [Departamento de Analisis Matematico, Universidad de Valladolid, Valladolid (Spain)
2001-05-25
It is generally assumed that the study of the spectrum of the linearized Navier-Stokes equations around a static state will provide information about the stability of the equilibrium. This is obvious for inviscid barotropic compressible fluids by the self-adjoint character of the relevant operator, and rather easy for viscous incompressible fluids by the compact character of the resolvent. The viscous compressible linearized system, both for periodic and homogeneous Dirichlet boundary problems, satisfies neither condition, but it does turn out to be the generator of an immediately continuous, almost stable semigroup, which justifies the analysis of the spectrum as predictive of the initial behaviour of the flow. As for the spectrum itself, except for a unique negative finite accumulation point, it is formed by eigenvalues with negative real part, and nonreal eigenvalues are confined to a certain bounded subset of complex numbers. (author)
Phase equilibria constraints on models of subduction zone magmatism
Myers, James D.; Johnston, Dana A.
Petrologic models of subduction zone magmatism can be grouped into three broad classes: (1) predominantly slab-derived, (2) mainly mantle-derived, and (3) multi-source. Slab-derived models assume high-alumina basalt (HAB) approximates primary magma and is derived by partial fusion of the subducting slab. Such melts must, therefore, be saturated with some combination of eclogite phases, e.g. cpx, garnet, qtz, at the pressures, temperatures and water contents of magma generation. In contrast, mantle-dominated models suggest partial melting of the mantle wedge produces primary high-magnesia basalts (HMB) which fractionate to yield derivative HAB magmas. In this context, HMB melts should be saturated with a combination of peridotite phases, i.e. ol, cpx and opx, and have liquid-lines-of-descent that produce high-alumina basalts. HAB generated in this manner must be saturated with a mafic phase assemblage at the intensive conditions of fractionation. Multi-source models combine slab and mantle components in varying proportions to generate the four main lava types (HMB, HAB, high-magnesia andesites (HMA) and evolved lavas) characteristic of subduction zones. The mechanism of mass transfer from slab to wedge as well as the nature and fate of primary magmas vary considerably among these models. Because of their complexity, these models imply a wide range of phase equilibria. Although the experiments conducted on calc-alkaline lavas are limited, they place the following limitations on arc petrologic models: (1) HAB cannot be derived from HMB by crystal fractionation at the intensive conditions thus far investigated, (2) HAB could be produced by anhydrous partial fusion of eclogite at high pressure, (3) HMB liquids can be produced by peridotite partial fusion 50-60 km above the slab-mantle interface, (4) HMA cannot be primary magmas derived by partial melting of the subducted slab, but could have formed by slab melt-peridotite interaction, and (5) many evolved calc
Lyapunov stability of ideal compressible and incompressible fluid equilibria in three dimensions
International Nuclear Information System (INIS)
Holm, D.D.
1985-08-01
Linearized stability of ideal compressible and incompressible fluid equilibria in three dimensions is analyzed using Lyapunov's direct method. An action principle is given for the Eulerian and Lagrangian fluid descriptions and the family of constants of motion due to symmetry under fluid-particle relabelling is derived in the form of Ertel's theorem for each description. In an augmented Euleriah description, the steady equilibrium flows of these two fluids theories are identified as critical points of the conserved Lyapunov functionals defined by the sum, H + C, of the energy H, and the Ertel constants of motion, C. It turns out that unconditional linear Lyapunov stability of these flows in the norm provided by the second variation of H + C is precluded by vortex-particle stretching, even for otherwise shear-stable flows. Conditional Lyapunov stability of these flows is discussed. 24 refs
Directory of Open Access Journals (Sweden)
Fuchs A.
2006-12-01
Full Text Available koWe briefly review the molecular simulation methods which can be used to predict thermophysical properties of fluids and fluid mixtures. It is shown in this paper, on the one hand, how the Gibbs Ensemble Monte Carlo Method allows phase behavior predictions for real fluids under conditions for which experimental data are difficult or impossible to obtain. On the other hand, the molecular dynamics methods used for predicting transport properties of molecular fluids are described. Finally we discuss possible future applications of these methods. Dans cet article, nous passons brièvement en revue les méthodes de simulation moléculaire applicables à la prédiction des propriétés thermophysiques des fluides et des mélanges. Nous montrons, d'une part, comment la méthode de Monte-Carlo dans l'ensemble de Gibbs permet de prédire le comportement de phase de fluides réels dans des conditions telles que l'acquisition de données expérimentales serait difficile, voire impossible. D'autre part, nous décrivons les méthodes de dynamique moléculaire utilisées pour prédire les propriétés de transport de fluides moléculaires. Enfin, nous discutons le potentiel de ces méthodes pour les applications futures.
Huang, J.; Huang, F.; Hao, J.; Sverjensky, D. A.
2017-12-01
Diamonds are often associated with inclusions of garnet that are characteristically Cr-rich and Ca-poor, suggesting metasomatic reactions involving fluids [1]. To investigate these reactions, we developed a thermodynamic characterization of Cr-bearing minerals and integrated it with our database for the thermodynamic properties of aqueous Cr-species [2]. We retrieved thermodynamic properties of picrochromite (MgCr2O4), and knorringite (Mg3Cr2Si3O12) consistent with minerals in the Berman (1988) using calorimetric data and experimental phase equilibria involving the reactions: MgCr2O4 + SiO2 = Cr2O3 + MgSiO3 [2] and MgCr2O4 + 4MgSiO3 = Mg3Cr2Si3O12 + Mg2SiO4 [3], respectively.At high temperatures and pressures, neutral pH and FMQ, the predicted solubilities of eskolaite and knorringite equilibrium with Cr2+ in a pure water system are very low. However, we found that complexes of Cr2+ and Cl- could increase the solubilities of chromium minerals significantly. At 500°C and 0.2 - 1.0 GPa, we retrieved the CrCl(OH)0 neutral complex from experiments on the solubility of Cr2O3 in HCl solutions [4]. At 1,000°C and 4.0 GPa, we retrieved the properties of a CrCl3- complex from experiments on the solubility of Cr2O3 in KCl solutions [5]. The predicted solubility of a garnet containing 23 mole% of knorringite in equilibrium with CrCl3- in a peridotitic diamond-forming fluid is 22 millimolal (1,144 ppm). This result suggests that a redox reaction relating to diamond formation might involveMg3Al2Si3O12 + 0.5CO2(aq) + 2 CrCl3- + 2H+ = Mg3Cr2Si3O12 + 0.5C-Diamond + 2Al3+ + 6Cl-. In this way, high temperature and pressure fluids containing Cr(II)-complexes might promote the mobility of chromium and be involved in metasomatic reactions and diamond formation.[1]Boyd et al. (1993)[2] Hao et al. (submitted to Geochem. Persp. Letters)[3] Berman (1988)[4] Klemme et al. (2000)[5] Klemme et al. (2004)[6] Watenphul et al. (2014)[7] Klein-BenDavid et al. (2011)
Phase Equilibria and Compressibility of bastnaesite-(La)
Rowland, R. L., II; Burnley, P. C.
2015-12-01
Bastnaesite (Ce,La,Y)CO3(F,OH) is a rare earth element (REE) bearing ore mineral. REEs are more common in the Earth's crust than precious metals like gold or platinum, but are not commonly concentrated in economically viable ore deposits. For over a decade, China has been the world's leading supplier of REEs. Recent export restrictions from China have necessitated the search for new deposits. Determining basic material properties such as phase equilibria and the equation of state for bastnaesite helps in understanding the processes that form REE ore deposits and thereby assist in locating new deposits. For this study we focus on the lanthanum-fluoride variant of bastnaesite (LaCO3F) since it can be easily synthesized in the laboratory. Previous work by others determined that in both open and closed systems at atmospheric pressure bastnaesite decomposes to lanthanum oxyfluoride and carbon dioxide (LaOF + CO2) above 325°C; at 100 MPa bastnaesite decomposes above 860°C (Hsu, 1992). Using a Griggs-type modified piston cylinder apparatus, we pressurized samples of synthetic bastnaesite-(La) to conditions ranging from 250 MPa to 1.2 GPa, and then subjected each sample to constant temperatures ranging from 700°C to 1050°C for a minimum of five hours. We then analyzed the samples with X-ray powder diffraction to identify phases present and determined that bastnaesite-(La) is stable at 250 MPa up to approximately 800°C and at 1.0 GPa up to approximately 900°C. Reversal experiments are underway. In order to develop an equation of state for bastnaesite-(La), we studied single crystals via monochromatic synchrotron X-ray diffraction in the diamond anvil cell at HPCAT (Sector 16), Advanced Photon Source (APS), Argonne National Laboratory. Measurements were made at pressures ranging from ambient to nearly 4 GPa. From these diffraction patterns, we determine the structure of bastnaesite-(La), and the change in unit cell volume as a function of pressure can be fit to a Birch
Generalized thermodynamics of phase equilibria in scalar active matter
Solon, Alexandre P.; Stenhammar, Joakim; Cates, Michael E.; Kafri, Yariv; Tailleur, Julien
2018-02-01
Motility-induced phase separation (MIPS) arises generically in fluids of self-propelled particles when interactions lead to a kinetic slowdown at high densities. Starting from a continuum description of scalar active matter akin to a generalized Cahn-Hilliard equation, we give a general prescription for the mean densities of coexisting phases in flux-free steady states that amounts, at a hydrodynamics scale, to extremizing an effective free energy. We illustrate our approach on two well-known models: self-propelled particles interacting either through a density-dependent propulsion speed or via direct pairwise forces. Our theory accounts quantitatively for their phase diagrams, providing a unified description of MIPS.
Maria, Anton H.; Millam, Evan L.; Wright, Carrie L.
2011-01-01
As an aid for teaching phase equilibria to undergraduate students of igneous and metamorphic petrology, we have designed a laboratory exercise that allows them to create a phase diagram from data produced by differential scanning calorimetry. By preparing and analyzing samples of naphthalene and phenanthrene, students acquire hands-on insight into…
New investigation of phase equilibria in the system Al-Cu-Si.
Ponweiser, Norbert; Richter, Klaus W
2012-01-25
The phase equilibria and invariant reactions in the system Al-Cu-Si were investigated by a combination of optical microscopy, powder X-ray diffraction (XRD), differential thermal analysis (DTA) and electron probe micro analysis (EPMA). Isothermal phase equilibria were investigated within two isothermal sections. The isothermal section at 500 °C covers the whole ternary composition range and largely confirms the findings of previous phase diagram investigations. The isothermal section at 700 °C describes phase equilibria only in the complex Cu-rich part of the phase diagram. A new ternary compound τ was found in the region between (Al,Cu)-γ(1) and (Cu,Si)-γ and its solubility range was determined. The solubility of Al in κ-CuSi was found to be extremely high at 700 °C. In contrast, no ternary solubility in the β-phase of Cu-Al was found, although this phase is supposed to form a complete solid solution according to previous phase diagram assessments. Two isopleths, at 10 and 40 at.% Si, were investigated by means of DTA and a partial ternary reaction scheme (Scheil diagram) was constructed, based on the current work and the latest findings in the binary systems Al-Cu and Cu-Si. The current study shows that the high temperature equilibria in the Cu-rich corner are still poorly understood and additional studies in this area would be favorable.
DEFF Research Database (Denmark)
Fonseca, José M.S.; von Solms, Nicolas
2012-01-01
A new apparatus for the study of high-pressure phase equilibria at low temperatures using an analytical method was designed, assembled and tested. The apparatus was specially developed for the study of multi-phase equilibria in systems containing hydrocarbons, water and hydrate inhibitors, at tem...
Systematic identification method for data analysis and phase equilibria modelling for lipids systems
DEFF Research Database (Denmark)
Perederic, Olivia A.; Cunico, Larissa P.; Kalakul, Sawitree
2018-01-01
Industrial use of lipids has been increasing as a consequence of increased developments related to biobased economies. In addition to applications in food-products, lipids are used by many industrial sectors, for example, biodiesel, edible oil, health, and personal care. Phase equilibria...
Phase equilibria, phases and compounds in the Ti-C system
International Nuclear Information System (INIS)
Gusev, Aleksandr I
2002-01-01
The results of experimental and theoretical investigations of the phase equilibria in the titanium-carbon system are generalised. The generalised thermodynamic characteristics of disordered titanium carbide TiC y , are reported. Peculiarities of the crystal structures of all the known and hypothetical compounds of titanium with carbon are considered in detail. The X-ray diffraction patterns which allow identification of all these compounds are presented. The phase diagrams of the Ti-C system constructed with allowance for atomic ordering of non-stoichio metric carbide, TiC y , and for the existence of the molecular cluster-like compounds Ti 8 C 12 and Ti 13 C 22 (TiC 2 ) are discussed. The bibliography includes 142 references.
Phase equilibria, phases and compounds in the Ti-C system
International Nuclear Information System (INIS)
Gusev, A.I.
2002-01-01
The results of experimental and theoretical investigations related to the phase equilibria in the titanium-carbon system are generalized. The generalized thermodynamic characteristics of the disordered titanium carbide TiC y are given. The crystal structure of all the discovered and hypothetical compounds of titanium with carbon are considered in detail. The x-ray diffraction patterns which allow one to identify all these compounds are given. The phase diagrams of the Ti-C system constructed with allowance for atomic ordering of non-stoichiometric TiC y carbide and for the existence of the compounds Ti 8 C 12 and Ti 13 C 22 (TiC 2 ) of the molecule cluster type are discussed [ru
Phase equilibria constraints on the chemical and physical evolution of the campanian ignimbrite
Fowler, S.J.; Spera, F.J.; Bohrson, W.A.; Belkin, H.E.; de Vivo, B.
2007-01-01
The Campanian Ignimbrite is a > 200 km3 trachyte-phonolite pyroclastic deposit that erupted at 39.3 ?? 0.1 ka within the Campi Flegrei west of Naples, Italy. Here we test the hypothesis that Campanian Ignimbrite magma was derived by isobaric crystal fractionation of a parental basaltic trachyandesitic melt that reacted and came into local equilibrium with small amounts (5-10 wt%) of crustal rock (skarns and foid-syenites) during crystallization. Comparison of observed crystal and magma compositions with results of phase equilibria assimilation-fractionation simulations (MELTS) is generally very good. Oxygen fugacity was approximately buffered along QFM+1 (where QFM is the quartz-fayalite-magnetite buffer) during isobaric fractionation at 0.15 GPa (???6 km depth). The parental melt, reconstructed from melt inclusion and host clinopyroxene compositions, is found to be basaltic trachyandesite liquid (51.1 wt% SiO2, 9.3 wt% MgO, 3 wt% H2O). A significant feature of phase equilibria simulations is the existence of a pseudo-invariant temperature, ???883??C, at which the fraction of melt remaining in the system decreases abruptly from ???0.5 to point leads to abrupt changes in the composition, properties (density, dissolved water content), and physical state (viscosity, volume fraction fluid) of melt and magma. A dramatic decrease in melt viscosity (from 1700 Pa s to ???200 Pa s), coupled with a change in the volume fraction of water in magma (from ??? 0.1 to 0.8) and a dramatic decrease in melt and magma density acted as a destabilizing eruption trigger. Thermal models suggest a timescale of ??? 200 kyr from the beginning of fractionation until eruption, leading to an apparent rate of evolved magma generation of about 10-3 km3/year. In situ crystallization and crystal settling in density-stratified regions, as well as in convectively mixed, less evolved subjacent magma, operate rapidly enough to match this apparent volumetric rate of evolved magma production
Experimental investigation of phase equilibria in the Ni-Nb-V ternary system
Energy Technology Data Exchange (ETDEWEB)
Liu, Xingjun; Yang, Shuiyuan; Wang, Cuiping [Xiamen Univ. (China). Dept. of Materials Science and Engineering; Xiamen Univ. (China). Fujian Provincial Key Lab. of Materials Genome; Zhang, Xianjie; Jiang, Hengxing; Shi, Zhan [Xiamen Univ. (China). Dept. of Materials Science and Engineering
2017-09-15
The phase equilibria of the Ni-Nb-V ternary system at 1000 C and 1200 C were established using electron probe microanalysis, X-ray diffraction and differential scanning calorimetry. The results of the investigation revealed that: (1) The Nb solubility in (Ni) and σ{sup '} phases was less than 10 at.%; (2) A ternary compound τ (NiNbV) was confirmed, in which V had a large solubility; (3) A new liquid region was evident at 1200 C, but was absent at 1000 C; (4) The lattice constants of Ni{sub 3}Nb and Ni{sub 6}Nb{sub 7} phase decreased with increase in V content in the Ni{sub 3}Nb and Ni{sub 6}Nb{sub 7}. The phase equilibria of the Ni-Nb-V ternary system will contribute to its thermodynamic assessment.
Experimental investigation of phase equilibria in the Zr-Cu-Ni ternary system
International Nuclear Information System (INIS)
Yang, Mujin; Wang, Cuiping; Yang, Shuiyuan; Shi, Zhan; Han, Jiajia; Liu, Xingjun
2017-01-01
The phase equilibria in the Zr-Cu-Ni ternary system are investigated combined with X-ray diffraction, electron probe micro-analysis and differential scanning calorimetry. Two isothermal sections of the Zr-Cu-Ni ternary system at 1 000 C and 1 100 C are experimentally established. Most of the binary intermetallic compounds, e.g. Zr 7 Ni 10 , ZrNi, ZrNi 5 , Zr 14 Cu 51 , and Zr 2 Cu 9 , show a remarkable ternary solubility. A new ternary compound named τ 3 (Zr 31.1-30.7 . Cu 28.5-40.3 Ni 40.4-29.0 ) is detected at 1 000 C and dissolved at 1 020 C because the nearby large liquid phase field further expands. The newly determined phase equilibria will provide important information for both thermodynamic assessment and alloy design of Zr-based metallic glass.
Thermodynamic calculations in the system CH4-H2O and methane hydrate phase equilibria
Circone, S.; Kirby, S.H.; Stern, L.A.
2006-01-01
Using the Gibbs function of reaction, equilibrium pressure, temperature conditions for the formation of methane clathrate hydrate have been calculated from the thermodynamic properties of phases in the system CH4-H 2O. The thermodynamic model accurately reproduces the published phase-equilibria data to within ??2 K of the observed equilibrium boundaries in the range 0.08-117 MPa and 190-307 K. The model also provides an estimate of the third-law entropy of methane hydrate at 273.15 K, 0.1 MPa of 56.2 J mol-1 K-1 for 1/n CH4??H 2O, where n is the hydrate number. Agreement between the calculated and published phase-equilibria data is optimized when the hydrate composition is fixed and independent of the pressure and temperature for the conditions modeled. ?? 2006 American Chemical Society.
High-pressure phase equilibria in the (carbon dioxide + 1-hexanol) system
International Nuclear Information System (INIS)
Secuianu, Catinca; Feroiu, Viorel; Geana, Dan
2010-01-01
(Vapour + liquid) equilibria (VLE) and (vapour + liquid + liquid) equilibria (VLLE) data for the (carbon dioxide + 1-hexanol) system were measured at (293.15, 303.15, 313.15, 333.15, and 353.15) K. Phase behaviour measurements were made in a high-pressure visual cell with variable volume, based on the static-analytic method. The pressure range under investigation was between (0.6 and 14.49) MPa. The Soave-Redlich-Kwong (SRK) equation of state (EOS) with classical van der Waals mixing rules (two-parameters conventional mixing rule, 2PCMR), was used in a semi-predictive approach, in order to represent the complex phase behaviour (critical curve, LLV line, isothermal VLE, LLE, and VLLE) of the system. The topology of phase behaviour is reasonably well predicted.
Phase equilibria in Ca–Co–O system
Czech Academy of Sciences Publication Activity Database
Sedmidubský, D.; Jakeš, V.; Jankovský, O.; Leitner, J.; Šofer, Z.; Hejtmánek, Jiří
2012-01-01
Roč. 194, OCT (2012), s. 199-205 ISSN 0022-4596 R&D Projects: GA ČR GA203/09/1036 Institutional research plan: CEZ:AV0Z10100521 Keywords : Ca–Co–O system , Misfit cobaltites, Thermodynamic data, Phase diagrams * misfit cobaltites * thermodynamic data * phase diagrams Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.040, year: 2012
Ab initio study of phase equilibria in TiCx
DEFF Research Database (Denmark)
Korzhavyi, P.A.; Pourovskii, L.V.; Hugosson, H.W.
2002-01-01
The phase diagram for the vacancy-ordered structures in the substoichiometric TiCx (x = 0.5-1.0) has been established from Monte Carlo simulations with the long-range pair and multisite effective interactions obtained from ab initio calculations. Three ordered superstructures of vacancies (Ti2C, Ti...
Boron incorporation into rutile: phase equilibria and structural considerations
International Nuclear Information System (INIS)
Grey, I.E.; Li, C.; MacRae, C.M.; Bursill, L.A.
1997-01-01
Reduction of rutile in the presence of borate flux stabilised the rutile phase relative to reduced rutiles due to incorporation of boron from the flux. In the presence of borates the rutile phase is stabilised to oxygen fugacities that are lower by almost two orders of magnitude compared with fugacities at the limit of the single-phase rutile phase field in the pure Ti-O system. Boron incorporation is accompanied by reduction of titanium to the trivalent state, according to the charge compensation relation: 3Ti 4+ ≡ 3 Ti 3+ + B 3+ . Results of powder X-ray diffraction and transmission electron microscopy studies on samples prepared in the temperature range 1100 to 1300 deg C have been used to establish a model for boron incorporation. It is proposed that at the temperatures studied, local defects in boron doped rutile result from displacement of titanium atoms to adjacent interstitial sites coupled with occupation by boron of the triangular face of the vacated octahedral sites. This atomic grouping represents a small element of the TiBO 3 (calcite-type) structure. Annealing at a lower temperature results in ordering of the local defects to form (101) r planar intergrowths of rutile and calcite-type structures. 14 refs., 3 tabs., 8 figs
Boron incorporation into rutile: phase equilibria and structural considerations
Energy Technology Data Exchange (ETDEWEB)
Grey, I.E.; Li, C.; MacRae, C.M. [Commonwealth Scientific and Industrial Research Organisation (CSIRO), East Melbourne, VIC (Australia). Div of Minerals; Bursill, L.A. [Melbourne Univ., Parkville, VIC (Australia). School of Physics
1997-06-01
Reduction of rutile in the presence of borate flux stabilised the rutile phase relative to reduced rutiles due to incorporation of boron from the flux. In the presence of borates the rutile phase is stabilised to oxygen fugacities that are lower by almost two orders of magnitude compared with fugacities at the limit of the single-phase rutile phase field in the pure Ti-O system. Boron incorporation is accompanied by reduction of titanium to the trivalent state, according to the charge compensation relation: 3Ti{sup 4+}{identical_to} 3 Ti{sup 3+} + B{sup 3+}. Results of powder X-ray diffraction and transmission electron microscopy studies on samples prepared in the temperature range 1100 to 1300 deg C have been used to establish a model for boron incorporation. It is proposed that at the temperatures studied, local defects in boron doped rutile result from displacement of titanium atoms to adjacent interstitial sites coupled with occupation by boron of the triangular face of the vacated octahedral sites. This atomic grouping represents a small element of the TiBO{sub 3} (calcite-type) structure. Annealing at a lower temperature results in ordering of the local defects to form (101){sub r} planar intergrowths of rutile and calcite-type structures. 14 refs., 3 tabs., 8 figs.
Thermal analysis and prediction of phase equilibria in ternary Pb-Zn-Ag system
Directory of Open Access Journals (Sweden)
Živković D.
2011-01-01
Full Text Available Ternary Pb-Zn-Ag system is typical for some physicochemical processes going on in refining phase in the extractive metallurgy of lead. Therefore, investigation of mentioned system is important from both theoretical and practical research of the phenomena occurring during the lead desilverizing process. The results of experimental investigation using differential thermal analysis (DTA and thermodynamic calculation of phase equilibria in Pb-Zn-Ag system according to CALPHAD method, in the sections with Zn:Ag mass ratio equal to 90:10, 70:30 and 50:50, are presented in this paper.
Corium phase equilibria based on MASCA, METCOR and CORPHAD results
Energy Technology Data Exchange (ETDEWEB)
Bechta, S.V.; Granovsky, V.S.; Khabensky, V.B. [Alexandrov Research Institute of Technologies (NITI), Sosnovy Bor (Russian Federation); Gusarov, V.V.; Almiashev, V.I.; Mezentseva, L.P. [Grebenshikov Institute of Silicate Chemistry, Russian Academy of Sciences (ISCh RAS), St. Petersburg (Russian Federation); Krushinov, E.V.; Kotova, S.Yu.; Kosarevsky, R.A. [Alexandrov Research Institute of Technologies (NITI), Sosnovy Bor (Russian Federation); Barrachin, M. [Institut de Radioprotection et Surete Nucleaire IRSN/DPAM, St Paul lez Durance (France); Bottomley, D. [EUROPAISCHE KOMMISSION, Joint Research Centre Institut fuer Transurane (ITU), Karlsruhe (Germany); Fichot, F. [Institut de Radioprotection et Surete Nucleaire IRSN/DPAM, St Paul lez Durance (France); Fischer, M. [AREVA NP GmbH, Erlangen (Germany)], E-mail: Manfred.Fischer@areva.com
2008-10-15
Experimental data on component partitioning between suboxidized corium melt and steel in the in-vessel melt retention (IVR) conditions are compared. The data are produced within the OECD MASCA program and the ISTC CORPHAD project under close-to-isothermal conditions and in the ISTC METCOR project under thermal gradient conditions. Chemical equilibrium in the U-Zr-Fe(Cr,Ni,...)-O system is reached in all experiments. In MASCA tests the molten pool formed under inert atmosphere has two immiscible liquids, oxygen-enriched (oxidic) and oxygen-depleted (metallic), resulting of the miscibility gap of the mentioned system. Sub-system data of the U-Zr-Fe(Cr,Ni,...)-O phase diagram investigated within the ISTC CORPHAD project are interpreted in relation with the MASCA results. In METCOR tests the equilibrium is established between oxidic liquid and mushy metallic part of the system. Results of comparison are discussed and the implications for IVR noted.
Energy Technology Data Exchange (ETDEWEB)
E. Jak; A. Kondratiev; S. Christie; P.C. Hayes [Centre for Coal in Sustainable Development (CCSD), Brisbane (Australia)
2003-07-01
A range of problems in coal utilisation technologies, including ash slag flow in slagging gasifiers, deposit formation, slagging, fouling, fusibility tests, fluxing, blending etc, are related to the melting behaviour of the mineral matter in the coal. To assist with solving these practical issues i) thermodynamic modelling of phase equilibria, and ii) viscosity modelling studies are being undertaken at the Pyrometallurgy Research Centre (The University of Queensland, Australia) with support from the Collaborative Research Centre for Coal in Sustainable Development (CCSD). The thermodynamic modelling has been carried out using the computer system FactSage, which is used for the calculation of multi-phase slag / solid / gas / matte / alloy / salt equilibria in multi-component systems of industrial interest. A modified quasi-chemical solution model is used for the liquid slag phase. New model optimisations have been carried out, which have significantly improved the accuracy of the thermodynamic models for coal combustion processes. Viscosity modelling, using a modified Urbain formalism, is carried out in conjunction with FactSage calculations to predict the viscosities of fully liquid as well as heterogeneous, partly crystallised slags. Custom designed software packages are developed using these fundamental models for wider use by industrial researchers and engineers, and for incorporation as process control modules. The new custom-designed computer software package can be used to produce limiting operability diagrams for slag systems. These diagrams are used to describe phase equilibria and physico-chemical properties in complex slag systems. The approach is illustrated with calculations on the system SiO{sub 2}-Al{sub 2}O{sub 3}-FeO-Fe{sub 2}O{sub 3}-CaO at metallic iron saturation, slags produced in coal slagging gasifiers. 28 refs., 7 figs., 1 tab.
Two-phase cooling fluids; Les fluides frigoporteurs diphasiques
Energy Technology Data Exchange (ETDEWEB)
Lallemand, A. [Institut National des Sciences Appliquees (INSA), 69 - Lyon (France)
1997-12-31
In the framework of the diminution of heat transfer fluid consumption, the concept of indirect refrigerating circuits, using cooling intermediate fluids, is reviewed and the fluids that are currently used in these systems are described. Two-phase cooling fluids advantages over single-phase fluids are presented with their thermophysical characteristics: solid fraction, two-phase mixture enthalpy, thermal and rheological properties, determination of heat and mass transfer characteristics, and cold storage through ice slurry
Thermodynamic calculation of phase equilibria of the U-Ga and U-W systems
International Nuclear Information System (INIS)
Wang, J.; Liu, X.J.; Wang, C.P.
2008-01-01
The thermodynamic assessments of the U-Ga and U-W systems have been carried out by using the CALPHAD (calculation of phase diagrams) method using experimental data including thermodynamic properties and phase equilibria. Gibbs free energies of the solution phases were described by the subregular solution models with the Redlich-Kister equation, and those of the intermetallic compounds were described by the sublattice models. A consistent set of thermodynamic parameters has been derived for the Gibbs free energy of each phase in the U-Ga and U-W binary systems, respectively. The calculated phase diagrams and thermodynamic properties in the U-Ga and U-W systems are in good agreement with experimental data
Prediction of phase equilibria in the In–Sb–Pb system
Directory of Open Access Journals (Sweden)
DUSKO MINIC
2008-03-01
Full Text Available Binary thermodynamic data, successfully used for phase diagram calculations of the binary systems In–Sb, Pb–Sb and In–Pb, were used for the prediction of the phase equilibria in the ternary In–Sb–Pb system. The predicted equilibrium phase diagram of the vertical Pb–InSb section was compared with the results of differential thermal analysis DTA and optical microscopy. The calculated phase diagram of the isothermal section at 300 °C was compared with the experimentally (SEM, EDX determined composition of phases in the chosen alloys after annealing. Very good agreement between the binary-based thermodynamic prediction and the experimental data was found in all cases. The calculated liquidus projection of the ternary In–Sb–Pb system is also presented.
Experimental investigation of phase equilibria in the Nb-Si-Ta ternary system
Energy Technology Data Exchange (ETDEWEB)
Li, Jian; Wang, Cuiping; Yao, Jun; Yang, Shuiyuan; Zhan Shi; Liu, Xingjun [Xiamen Univ. (China). Dept. of Materials Science and Engineering; Xiamen Univ. (China). Fujian Provincial Key Laboratory of Materials Genome; Kang, Yongwang [Beijing Institute of Aeronautical Materials (China). Science and Technology on Advanced High Temperature Structural Materials Lab.
2016-12-15
The phase equilibria in the Nb-Si-Ta ternary system at 1 373 K, 1 473 K and 1 573 K were investigated by means of back-scattered electron imaging, electron probe microanalysis and X-ray diffraction. The isothermal sections at 1 373 K, 1 473 K and 1 573 K consist of two three-phase regions and seven two-phase regions, without any ternary compounds. The compounds of NbSi{sub 2} and TaSi{sub 2}, αNb{sub 5}Si{sub 3} and αTa{sub 5}Si{sub 3} form continuous solid solutions, respectively. The solubilities of Nb in Ta{sub 3}Si and Ta{sub 2}Si phases are extremely large, whereas the solubility of Si in the β(Nb, Ta) phase is relatively small.
Experimental investigation of phase equilibria in the Co-W-V ternary system
International Nuclear Information System (INIS)
Liu Xingjun; Zhu Yihong; Yu Yan; Wang Cuiping
2011-01-01
Highlights: → Three isothermal sections of the Co-W-V ternary system at 1100 deg. C, 1200 deg. C and 1300 deg. C were determined. → No ternary compound was found in the Co-W-V ternary system. → A stable liquid miscibility gap is newly discovered in the Co-W-V ternary system. → This work is of great essence to establish the thermodynamic database for the Co-based alloys. - Abstract: The phase equilibria in the Co-W-V ternary system were experimentally investigated by optical microscopy (OM), electron probe microanalysis (EPMA) and X-ray diffraction (XRD) on the equilibrated alloys. Three isothermal sections of the Co-W-V ternary system at 1100 deg. C, 1200 deg. C and 1300 deg. C were determined, and no ternary compound was found in this system. In addition, a novel phenomena induced by the liquid phase separation in the Co-W-V alloys was firstly discovered, suggesting that a stable liquid miscibility gap exists in the Co-W-V ternary system. The newly determined phase equilibria and firstly discovered phase separation phenomena in the Co-W-V system will provide important information for the development of Co-W based alloys.
Phases, phase equilibria, and phase rules in low-dimensional systems
International Nuclear Information System (INIS)
Frolov, T.; Mishin, Y.
2015-01-01
We present a unified approach to thermodynamic description of one, two, and three dimensional phases and phase transformations among them. The approach is based on a rigorous definition of a phase applicable to thermodynamic systems of any dimensionality. Within this approach, the same thermodynamic formalism can be applied for the description of phase transformations in bulk systems, interfaces, and line defects separating interface phases. For both lines and interfaces, we rigorously derive an adsorption equation, the phase coexistence equations, and other thermodynamic relations expressed in terms of generalized line and interface excess quantities. As a generalization of the Gibbs phase rule for bulk phases, we derive phase rules for lines and interfaces and predict the maximum number of phases than may coexist in systems of the respective dimensionality
Solid-liquid phase equilibria of Fe-Cr-Al alloys and spinels
McMurray, J. W.; Hu, R.; Ushakov, S. V.; Shin, D.; Pint, B. A.; Terrani, K. A.; Navrotsky, A.
2017-08-01
Ferritic FeCrAl alloys are candidate accident tolerant cladding materials. There is a paucity of data concerning the melting behavior for FeCrAl and its oxides. Analysis tools have therefore had to utilize assumptions for simulations using FeCrAl cladding. The focus of this study is to examine in some detail the solid-liquid phase equilibria of FeCrAl alloys and spinels with the aim of improving the accuracy of severe accident scenario computational studies.
Phase equilibria of didecyldimethylammonium nitrate ionic liquid with water and organic solvents
International Nuclear Information System (INIS)
Domanska, Urszula; Lugowska, Katarzyna; Pernak, Juliusz
2007-01-01
The phase diagrams for binary mixtures of an ammonium ionic liquid, didecyldimethylammonium nitrate, [DDA][NO 3 ], with: alcohols (propan-1-ol, butan-1-ol, octan-1-ol, and decan-1-ol): hydrocarbons (toluene, propylbenzene, hexane, and hexadecane) and with water were determined in our laboratory. The phase equilibria were measured by a dynamic method from T 220 K to either the melting point of the ionic liquid, or to the boiling point of the solvent. A simple liquidus curve in a eutectic system was observed for [DDA][NO 3 ] with: alcohols (propan-1-ol, butan-1-ol, and octan-1-ol); aromatic hydrocarbons (toluene and propylbenzene) and with water. (Solid + liquid) equilibria with immiscibility in the liquid phase were detected with the aliphatic hydrocarbons heptane and hexadecane and with decan-1-ol. (Liquid + liquid) equilibria for the system [DDA][NO 3 ] with hexadecane was observed for the whole mole fraction range of the ionic liquid. The observation of the upper critical solution temperature in binary mixtures of ([DDA][NO 3 ] + decan-1-ol, heptane, or hexadecane) was limited by the boiling temperature of the solvent. Characterisation and purity of the compounds were determined by elemental analysis, water content (Fisher method) and differential scanning microcalorimetry (d.s.c.) analysis. The d.s.c. method of analysis was used to determine melting temperatures and enthalpies of fusion. The thermal stability of the ionic liquid was resolved by the thermogravimetric technique-differential thermal analysis (TG-DTA) technique over a wide temperature range from (200 to 780) K. The thermal decomposition temperature of 50% of the sample was greater than 500 K. The (solid + liquid) phase equilibria, curves were correlated by means of different G Ex models utilizing parameters derived from the (solid + liquid) equilibrium. The root-mean-square deviations of the solubility temperatures for all calculated data are dependent upon the particular system and the particular
Energy Technology Data Exchange (ETDEWEB)
Corcoran, E.C. [Department of Chemistry and Chemical Engineering, Royal Military College of Canada, P.O. Box 17000, St. Forces, Kingston, Ont., K7K 7B4 (Canada)], E-mail: emily.corcoran@rmc.ca; Lewis, B.J.; Thompson, W.T. [Department of Chemistry and Chemical Engineering, Royal Military College of Canada, P.O. Box 17000, St. Forces, Kingston, Ont., K7K 7B4 (Canada); Hood, J. [Atomic Energy of Canada Ltd., Sheridan Park, 2251 Speakman Drive, Mississauga, Ont., L5K 1B2 (Canada); Akbari, F.; He, Z. [Atomic Energy of Canada Ltd., Chalk River Laboratories, Chalk River, Ont., K0J 1J0 (Canada); Reid, P. [Atomic Energy of Canada Ltd., Sheridan Park, 2251 Speakman Drive, Mississauga, Ont., L5K 1B2 (Canada)
2009-03-31
Burnable neutron absorbing materials are expected to be an integral part of the new fuel design for the Advanced CANDU [CANDU is as a registered trademark of Atomic Energy of Canada Limited.] Reactor. The neutron absorbing material is composed of gadolinia and dysprosia dissolved in an inert cubic-fluorite yttria-stabilized zirconia matrix. A thermodynamic model based on Gibbs energy minimization has been created to provide estimated phase equilibria as a function of composition and temperature. This work includes some supporting experimental studies involving X-ray diffraction.
Phase equilibria in Dy-Cu-Al system at 500 deg C
International Nuclear Information System (INIS)
Kuz'ma, Yu.B.; Milyan, V.V.
1989-01-01
Using the methods of X-ray diffraction analysis a diagram of phase equilibria in Dy-Cu-Al system at 500 deg C is plotted. Boundaries of solid solutions on the basis of DyCu 2 , DyCu and DyAl 2 compounds are determined and homogeneity regions of ternary compounds Dy 2 (Cu, Al) 7 and Dy(CuAl) 5 are ascertained. Compounds DyCuAl 3 , Dy 4 Cu 4 Al 11 and Dy 5 Cu 6 Al 9 have been detected for the first time
Phase equilibria and critical phenomena in the cesium nitrate-water-diethylamine ternary system
International Nuclear Information System (INIS)
Il'in, K.K.; Kurskij, V.F.; Cherkasov, D.G.
2008-01-01
Phase equilibria and critical events in ternary cesium nitrate-water-diethylamine system, where border binary liquid system is characterized by aliquation with lower critical temperature of solution (LCTS), have been investigated by visual-polythermal method in the 60-150 Deg C range. Interaction of cesium nitrate in the water-diethylamine system leads to lowering of its LCTS from 146.1 to 69.3 Deg C and decrease of mutual solubility. Distribution ratios of diethylamine between water and organic phases of monotectic equilibrium are calculated at different temperatures. Diethylamine salting out from aqueous solutions by cesium nitrates becomes stronger with rising temperature. Plotted isotherms of phase confirms generalized scheme of topological transformations of ternary systems phase diagrams: salt-binary solvent with salting out
Experimental study of the Cu-Al-Sn phase equilibria, close to the copper zone
Directory of Open Access Journals (Sweden)
Soares D.F.
2017-01-01
Full Text Available The ternary Cu-Al-Sn phase diagram is the base for several important types of alloys, with relevant industrial interest and applications. The knowledge of the melting/solidification alloys characteristics are determinant for their preparation and properties control. However, there is a lack of experimental information on the ternary phase diagram, at high temperature. In this work, several alloys, with high copper content and additions of Al, up to 10%, and Sn, up to 14% (in wt%, were studied by thermal analysis and by isothermal phase equilibria determination. The alloys liquidus and solidus lines and the binary α + β phase field, at 800°C, are presented for the studied range of compositions.
Experimental investigation of phase equilibria in the Zr-Cu-Ni ternary system
Energy Technology Data Exchange (ETDEWEB)
Yang, Mujin; Wang, Cuiping; Yang, Shuiyuan; Shi, Zhan; Han, Jiajia; Liu, Xingjun [Xiamen Univ. (China). College of Materials and Fujian Provincial Key Lab. of Materials Genome
2017-08-15
The phase equilibria in the Zr-Cu-Ni ternary system are investigated combined with X-ray diffraction, electron probe micro-analysis and differential scanning calorimetry. Two isothermal sections of the Zr-Cu-Ni ternary system at 1 000 C and 1 100 C are experimentally established. Most of the binary intermetallic compounds, e.g. Zr{sub 7}Ni{sub 10}, ZrNi, ZrNi{sub 5}, Zr{sub 14}Cu{sub 51}, and Zr{sub 2}Cu{sub 9}, show a remarkable ternary solubility. A new ternary compound named τ{sub 3} (Zr{sub 31.1-30.7} . Cu{sub 28.5-40.3}Ni{sub 40.4-29.0}) is detected at 1 000 C and dissolved at 1 020 C because the nearby large liquid phase field further expands. The newly determined phase equilibria will provide important information for both thermodynamic assessment and alloy design of Zr-based metallic glass.
Sn-In-Ag phase equilibria and Sn-In-(Ag)/Ag interfacial reactions
International Nuclear Information System (INIS)
Chen Sinnwen; Lee Wanyu; Hsu Chiaming; Yang Chingfeng; Hsu Hsinyun; Wu Hsinjay
2011-01-01
Research highlights: → Thermodynamic models of Sn-In and Sn-In-Ag are developed using the CALPHAD approach. → Reaction layer in the Sn-In-(Ag)/Ag couples at 100 deg. C is thinner than those at 25 deg. C, 50 deg. C, and 75 deg. C. → Reactions in the Sn-20 wt%In-2.8 wt%Ag/Ag couples are faster than those in the Sn-20 wt%In/Ag couples. - Abstract: Experimental verifications of the Sn-In and Sn-In-Ag phase equilibria have been conducted. The experimental measurements of phase equilibria and thermodynamic properties are used for thermodynamic modeling by the CALPHAD approach. The calculated results are in good agreement with experimental results. Interfacial reactions in the Sn-In-(Ag)/Ag couples have been examined. Both Ag 2 In and AgIn 2 phases are formed in the Sn-51.0 wt%In/Ag couples reacted at 100 and 150 deg. C, and only the Ag 2 In phase is formed when reacted at 25, 50 and 75 deg. C. Due to the different growth rates of different reaction phases, the reaction layer at 100 deg. C is thinner than those at 25 deg. C, 50 deg. C, and 75 deg. C. In the Sn-20.0 wt%In/Ag couples, the ζ phase is formed at 250 deg. C and ζ/AgIn 2 phases are formed at 125 deg. C. Compared with the Sn-20 wt%In/Ag couples, faster interfacial reactions are observed in the Sn-20.0 wt%In-2.8 wt%Ag/Ag couples, and minor Ag addition to Sn-20 wt%In solder increases the growth rates of the reaction phases.
Directory of Open Access Journals (Sweden)
Span Roland
2012-04-01
Full Text Available Gas-hydrates (clathrates are non-stoichiometric crystallized solutions of gas molecules in the metastable water lattice. Two or more components are associated without ordinary chemical union but through complete enclosure of gas molecules in a framework of water molecules linked together by hydrogen bonds. The clathrates are important in the following applications: the pipeline blockage in natural gas industry, potential energy source in the form of natural hydrates present in ocean bottom, and the CO2 separation and storage. In this study, we have modified an analytical solid-liquid-vapor equation of state (EoS [A. Yokozeki, Fluid Phase Equil. 222–223 (2004] to improve its ability for modeling the phase equilibria of clathrates. The EoS can predict the formation conditions for CO2- and CH4-hydrates. It will be used as an initial estimate for a more complicated hydrate model based on the fundamental EoSs for fluid phases.
International Nuclear Information System (INIS)
Ascoli, Sergio; Malvestuto, Vincenzo
2004-01-01
For a fluid system, obeying a state equation of the van der Waals type, the gas and the liquid phases can coexist in equilibrium, at a given temperature, only if the volume of the system is kept fixed. Thus, in order to study the two-phase equilibria of a fluid system, it seemed quite natural to choose the molar volume as the independent variable, and, consequently, the Helmholtz free energy as the proper thermodynamic potential for the application of the minimum principle. Specific computations are here carried out for a single van der Waals fluid, namely, pure water at 300 0 C. As a result, the present treatment indicates a simple and effective way to identify the whole range of molar volumes where the equilibrium preferred by the system is a two-phase equilibrium. This range results to be wider than the interval of strict instability of the van der Waals isotherm. Finally, it is pointed out that all the results, obtained here for the van der Waals state equation, can be extended to all the state equations of the same type
Ternary systems Sr-{Ni,Cu}-Si: Phase equilibria and crystal structure of ternary phases
International Nuclear Information System (INIS)
Nasir, Navida; Melnychenko-Koblyuk, Nataliya; Grytsiv, Andriy; Rogl, Peter; Giester, Gerald; Wosik, Jaroslaw; Nauer, Gerhard E.
2010-01-01
Phase relations were established in the Sr-poor part of the ternary systems Sr-Ni-Si (900 deg. C) and Sr-Cu-Si (800 deg. C) by light optical microscopy, electron probe microanalysis and X-ray diffraction on as cast and annealed alloys. Two new ternary compounds SrNiSi 3 (BaNiSn 3 -type) and SrNi 9-x Si 4+x (own-type) were found in the Sr-Ni-Si system along with previously reported Sr(Ni x Si 1-x ) 2 (AlB 2 -type). The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type. At higher Si-content X-ray Rietveld refinements reveal the formation of a vacant site (□) corresponding to a formula SrNi 5.5 Si 6.5 □ 1.0 . Phase equilibria in the Sr-Cu-Si system are characterized by the compounds SrCu 2-x Si 2+x (ThCr 2 Si 2 -type), Sr(Cu x Si 1-x ) 2 (AlB 2 -type), SrCu 9-x Si 4+x (0≤x≤1.0; CeNi 8.5 Si 4.5 -type) and SrCu 13-x Si x (4≤x≤1.8; NaZn 13 -type). The latter two structure types appear within a continuous solid solution. Neither a type-I nor a type-IX clathrate compound was encountered in the Sr-{Cu,Ni}-Si systems. Structural details are furthermore given for about 14 new ternary compounds from related alloy systems with Ba. - Graphical abstract: The crystal structure of SrNi 9-x Si 4+x (own-type, x=2.7, a=0.78998(3), c=1.1337(2) nm; space group P4/nbm) was determined from X-ray single crystal counter to be a low symmetry derivative of the cubic, parent NaZn 13 -type and is related to CeNi 8.5 Si 4.5 -type.
International Nuclear Information System (INIS)
Cotterman, R.L.; Bender, R.; Prausnitz, J.M.
1984-01-01
For some multicomponent mixtures, where detailed chemical analysis is not feasible, the compositio of the mixture may be described by a continuous distribution function of some convenient macroscopic property suc as normal boiling point or molecular weight. To attain a quantitative description of phase equilibria for such mixtures, this work has developed thermodynamic procedures for continuous systems; that procedure is called continuous thermodynamics. To illustrate, continuous thermodynamics is used to calculate dew points for natural-gas mixtures, solvent loss in a high-pressure absorber, and liquid-liquid phase equilibria in a polymer fractionation process. Continuous thermodynamics provides a rational method for calculating phase equilibria for those mixtures where complete chemical analysis is not available but where composition can be given by some statistical description. While continuous thermodynamics is only the logical limit of the well-known pseudo-component method, it is more efficient than that method because it is less arbitrary and it often requires less computer time
Energy Technology Data Exchange (ETDEWEB)
Rosak, J; Mertl, I; Huml, M; Wichterle, I
1980-01-01
Available data on phase equilibria in binary mixtures pertaining to the system ethanol - water - impurities (7 compounds that represent the main impurities present in raw synthetic or fermentation ethanol) have been gathered for the computer calculation of a column to be used for the refining of ethanol. Missing experimental data on phase equilibria were supplied by simulation using the increment method UNIFAC which predicts phase equilibria on the basis of the chemical structure. All data about the behavior of binary mixtures were correlated by means of the NRTL method and the sets of constants thus obtained were then used in calculations of the column for the refining of ethanol. The results were compared with reality verified on industrial scale.
International Nuclear Information System (INIS)
Byun, Hun-Soo
2016-01-01
Experimental data are reported on the phase equilibrium of propoxylated neopentyl glycol diacrylate in supercritical carbon dioxide. Phase equilibria data were measured in static method at a temperature of (313.2, 333.2, 353.2, 373.2 and 393.2) K and at pressures up to 27.82 MPa. At a constant pressure, the solubility of propoxylated neopentyl glycol diacrylate for the (carbon dioxide + propoxylated neopentyl glycol diacrylate) system increases as temperature increases. The (carbon dioxide + propoxylated neopentyl glycol diacrylate) system exhibits type-I phase behavior. The experimental result for the (carbon dioxide + propoxylated neopentyl glycol diacrylate) system is correlated with Peng- Robinson equation of state using mixing rule. The critical property of propoxylated neopentyl glycol diacrylate is predicted with Joback and Lyderson method
Energy Technology Data Exchange (ETDEWEB)
Byun, Hun-Soo [Chonnam National University, Yeosu (Korea, Republic of)
2016-04-15
Experimental data are reported on the phase equilibrium of propoxylated neopentyl glycol diacrylate in supercritical carbon dioxide. Phase equilibria data were measured in static method at a temperature of (313.2, 333.2, 353.2, 373.2 and 393.2) K and at pressures up to 27.82 MPa. At a constant pressure, the solubility of propoxylated neopentyl glycol diacrylate for the (carbon dioxide + propoxylated neopentyl glycol diacrylate) system increases as temperature increases. The (carbon dioxide + propoxylated neopentyl glycol diacrylate) system exhibits type-I phase behavior. The experimental result for the (carbon dioxide + propoxylated neopentyl glycol diacrylate) system is correlated with Peng- Robinson equation of state using mixing rule. The critical property of propoxylated neopentyl glycol diacrylate is predicted with Joback and Lyderson method.
Prediction of phase equilibria and thermal analysis in the Bi-Cu-Pb ternary system
Energy Technology Data Exchange (ETDEWEB)
Manasijevic, Dragan [University of Belgrade, Technical Faculty, VJ 12, 19210 Bor (Serbia); Mitovski, Aleksandra, E-mail: amitovski@tf.bor.ac.rs [University of Belgrade, Technical Faculty, VJ 12, 19210 Bor (Serbia); Minic, Dusko [University of Pristina, Faculty of Technical Sciences, 38220 Kosovska Mitrovica (Serbia); Zivkovic, Dragana; Marjanovic, Sasa [University of Belgrade, Technical Faculty, VJ 12, 19210 Bor (Serbia); Todorovic, Radisa [Institute of Mining and Metallurgy, Zeleni Bulevar 35, 19210 Bor (Serbia); Balanovic, Ljubisa [University of Belgrade, Technical Faculty, VJ 12, 19210 Bor (Serbia)
2010-05-20
The knowledge about phase diagram of the Bi-Cu-Pb ternary system is of importance in development of copper-lead based bearing materials, soldering and in refining of copper and lead. In this work, the phase diagram of the Bi-Cu-Pb ternary system was calculated by the CALPHAD method using binary thermodynamic parameters included in the COST 531 database. The results include liquidus projection, invariant equilibria and three vertical sections with molar ratio Cu:Pb = 1, Cu:Pb = 1:3 and Bi:Cu = 1. Alloys, with compositions along three predicted vertical sections, were measured using differential scanning calorimetry (DSC). The experimentally determined phase transition temperatures were compared with calculated results and good mutual agreement was noticed.
Prediction of phase equilibria and thermal analysis in the Bi-Cu-Pb ternary system
International Nuclear Information System (INIS)
Manasijevic, Dragan; Mitovski, Aleksandra; Minic, Dusko; Zivkovic, Dragana; Marjanovic, Sasa; Todorovic, Radisa; Balanovic, Ljubisa
2010-01-01
The knowledge about phase diagram of the Bi-Cu-Pb ternary system is of importance in development of copper-lead based bearing materials, soldering and in refining of copper and lead. In this work, the phase diagram of the Bi-Cu-Pb ternary system was calculated by the CALPHAD method using binary thermodynamic parameters included in the COST 531 database. The results include liquidus projection, invariant equilibria and three vertical sections with molar ratio Cu:Pb = 1, Cu:Pb = 1:3 and Bi:Cu = 1. Alloys, with compositions along three predicted vertical sections, were measured using differential scanning calorimetry (DSC). The experimentally determined phase transition temperatures were compared with calculated results and good mutual agreement was noticed.
DEFF Research Database (Denmark)
Tsivintzelis, Ioannis; Kontogeorgis, Georgios; Michelsen, Michael Locht
2011-01-01
In Part I of this series of articles, the study of H2S mixtures has been presented with CPA. In this study the phase behavior of CO2 containing mixtures is modeled. Binary mixtures with water, alcohols, glycols and hydrocarbons are investigated. Both phase equilibria (vapor–liquid and liquid–liqu...
Phase equilibria and thermodynamic modeling of ethane and propane hydrates in porous silica gels.
Seo, Yongwon; Lee, Seungmin; Cha, Inuk; Lee, Ju Dong; Lee, Huen
2009-04-23
In the present study, we examined the active role of porous silica gels when used as natural gas storage and transportation media. We adopted the dispersed water in silica gel pores to substantially enhance active surface for contacting and encaging gas molecules. We measured the three-phase hydrate (H)-water-rich liquid (L(W))-vapor (V) equilibria of C(2)H(6) and C(3)H(8) hydrates in 6.0, 15.0, 30.0, and 100.0 nm silica gel pores to investigate the effect of geometrical constraints on gas hydrate phase equilibria. At specified temperatures, the hydrate stability region is shifted to a higher pressure region depending on pore size when compared with those of bulk hydrates. Through application of the Gibbs-Thomson relationship to the experimental data, we determined the values for the C(2)H(6) hydrate-water and C(3)H(8) hydrate-water interfacial tensions to be 39 +/- 2 and 45 +/- 1 mJ/m(2), respectively. By using these values, the calculation values were in good agreement with the experimental ones. The overall results given in this study could also be quite useful in various fields, such as exploitation of natural gas hydrate in marine sediments and sequestration of carbon dioxide into the deep ocean.
Reinaud, J. N.; Sokolovskiy, M. A.; Carton, X.
2017-03-01
We investigate equilibrium solutions for tripolar vortices in a two-layer quasi-geostrophic flow. Two of the vortices are like-signed and lie in one layer. An opposite-signed vortex lies in the other layer. The families of equilibria can be spanned by the distance (called separation) between the two like-signed vortices. Two equilibrium configurations are possible when the opposite-signed vortex lies between the two other vortices. In the first configuration (called ordinary roundabout), the opposite signed vortex is equidistant to the two other vortices. In the second configuration (eccentric roundabouts), the distances are unequal. We determine the equilibria numerically and describe their characteristics for various internal deformation radii. The two branches of equilibria can co-exist and intersect for small deformation radii. Then, the eccentric roundabouts are stable while unstable ordinary roundabouts can be found. Indeed, ordinary roundabouts exist at smaller separations than eccentric roundabouts do, thus inducing stronger vortex interactions. However, for larger deformation radii, eccentric roundabouts can also be unstable. Then, the two branches of equilibria do not cross. The branch of eccentric roundabouts only exists for large separations. Near the end of the branch of eccentric roundabouts (at the smallest separation), one of the like-signed vortices exhibits a sharp inner corner where instabilities can be triggered. Finally, we investigate the nonlinear evolution of a few selected cases of tripoles.
Phase equilibria in TlX-Cd(Zn)X (X-S, Se, Te) systems
International Nuclear Information System (INIS)
Gusejnov, F.Kh.; Babanly, M.B.; Kuliev, A.A.
1982-01-01
The methods of DTA, RPA and measurement of the alloys microhardness have been used to investigate the phase equilibria in the TlX-Zn(Cd)X systems. It is established that the TlZn(Cd)X 2 compounds, the presence of which is mentioned in the literature earlier, do not form in these systems. The TlSe-Zn(Cd)Se systems apply to the simple eutectic type and characterized by digenerated eutectic near the TlSe. Thermodynamical analysis of the liquidus of the TlSe-CdSe and TlTe-Zn(Cd)Te systems in approximation of the regular solutions, taking into account the dissociation of tallium chalcogenides in liquid phase, is made
Experimental determination of the phase equilibria in the Co-Fe-Zr ternary system
International Nuclear Information System (INIS)
Wang, C.P.; Yu, Y.; Zhang, H.H.; Hu, H.F.; Liu, X.J.
2011-01-01
Research highlights: → We determined four isothermal sections of the Co-Fe-Zr system from 1000 o C to 1300 o C. → No ternary compound was found in the Co-Fe-Zr ternary system. → The solubility of Fe in the liquid phase at 1300 o C is extremely large. → The (Co, Fe) 2 Zr phase form the continuous solution from Co-Zr side to Fe-Zr side. → The solubility of Zr in the fcc (Co, Fe) phase is extremely small. - Abstract: The phase equilibria in the Co-Fe-Zr ternary system were investigated by means of optical microscopy (OM), electron probe microanalysis (EPMA), X-ray diffraction (XRD), and differential scanning calorimetry (DSC) on equilibrated ternary alloys. Four isothermal sections of the Co-Fe-Zr ternary system at 1300 o C, 1200 o C, 1100 o C and 1000 o C were experimentally established. The experimental results indicate that (1) no ternary compound was found in this system; (2) the solubility of Fe in the liquid phase of the Co-rich corner at 1300 o C is extremely large; (3) the liquid phase in the Zr-rich corner and the (Co,Fe) 2 Zr phase form the continuous solid solutions from the Co-Zr side to the Fe-Zr side; (4) the solubility of Zr in the fcc (Co, Fe) phase is extremely small.
Experimental investigation of the phase equilibria in the Co-Fe-Ti ternary system
Energy Technology Data Exchange (ETDEWEB)
Yuan, Chaohui; Chen, Chong; Peng, Yingbiao; Du, Yong; Li, Kun [Central South Univ., State Key of Powder Metallurgy, Changsha (China); Lu, Xingxu [Central South Univ., State Key of Powder Metallurgy, Changsha (China); Central South Univ., School of Materials Science and Engineering, Changsha (China)
2015-08-15
Phase equilibria in the Co-Fe-Ti ternary system were investigated by means of the equilibrated alloy method with X-ray powder diffraction and electron probe microanalysis. No ternary compounds were found. The experimental results indicated the existence of seven two-phase and one three-phase regions at 600 C, five two-phase and two three-phase regions at 800 C, and six two-phase and two three-phase regions at 950 C. The solubility of Co in TiFe{sub 2} was determined to be larger than 54 at.% at all investigated temperatures, and the solubilities of Fe in TiCo{sub 3} and Ti{sub 2}Co showed an appreciable increase with increasing temperature. The three-phase equilibrium in the Ti-rich corner at 800 C was revealed to be ((β-Ti) + Ti(Fe, Co) + Ti{sub 2}Co) rather than ((α-Ti) + Ti(Fe, Co) + Ti{sub 2}Co) reported in previous investigations. Based on the experimental data obtained in the present work, three isothermal sections at 600, 800 and 950 C were established.
Experimental investigation of phase equilibria in the Co-Ni-Zr ternary system
Energy Technology Data Exchange (ETDEWEB)
Liu, Xingjun; Yang, Shuiyuan; Yu, Wenjie; Wang, Cuiping [Xiamen Univ. (China). Fujian Key Laboratory of Materials Genome; Xiong, Huaping; Cheng, Yaoyong; Wu, Xin [Beijing Institute of Aeronautical Materials (China). Div. of Welding and Forging
2016-10-15
The phase equilibria of the Co-Ni-Zr ternary system at 1 000 C, 1 100 C and 1 200 C were experimentally investigated by means of back-scattered electron imaging, electron probe microanalysis and X-ray diffraction on the equilibrated ternary alloys. In this study, no ternary compound is found. The (αCo, Ni) phase region extends from the Ni-rich corner to the Co-rich corner with small solubility of Zr at three sections. At 1 000 C and 1 100 C, Ni{sub 5}Zr, Co{sub 2}Zr and Ni{sub 10}Zr{sub 7} phases have large solid solution ranges, but Ni{sub 10}Zr{sub 7} phase disappears at 1 200 C. The Ni{sub 7}Zr{sub 2}, NiZr, Co{sub 11}Zr{sub 2}, Co{sub 23}Zr{sub 6} and CoZr phases exhibit nearly linear compounds in the studied sections, and have large composition ranges. Additionally, some differences in phase relationship exist among the above three isothermal sections.
Phase equilibria and thermodynamic functions for Ag-Hg and Cu-Hg binary systems
Energy Technology Data Exchange (ETDEWEB)
Liu, Yajun, E-mail: yajunliu@gatech.edu [School of Materials and Energy, Guangdong University of Technology, Guangzhou, Guangdong 510006 (China); Wang, Guan [School of Electromechanical Engineering, Guangdong University of Technology, Guangzhou, Guangdong 510006 (China); Wang, Jiang [School of Materials Science and Engineering, Guilin University of Electronic Technology, Guilin, Guangxi 541004 (China); Chen, Yang [Mining, Metallurgy and Materials Research Department, General Research Institute for Nonferrous Metals, Beijing 100088 (China); Long, Zhaohui [School of Mechanical Engineering, Xiangtan University, Xiangtan, Hunan 411105 (China)
2012-11-10
Highlights: Black-Right-Pointing-Pointer The thermodynamic properties of Ag-Hg and Cu-Hg are explored in order to facilitate dental materials design. Black-Right-Pointing-Pointer A self-consistent set of thermodynamic parameters is obtained. Black-Right-Pointing-Pointer The experimental information can be well reproduced by the optimized thermodynamic data. - Abstract: In order to facilitate the computational design of new amalgams for novel dental alloys, the phase equilibria, phase diagrams and thermodynamic functions for Ag-Hg and Cu-Hg binary systems are explored in this work, based on the CALPHAD framework and experimental characterizations. The Gibbs free energies of the solution phases as well as the stoichiometric phases are calculated, with the aid of enthalpies of mixing, activities, enthalpies of formation, and phase equilibrium data. The thermodynamic descriptions provided in this work enable the stabilities of each phase at various temperatures and compositions to be well described, which contribute to the establishment of a general database to design novel metallic dental materials.
Phase equilibria and thermodynamic functions for Ag–Hg and Cu–Hg binary systems
International Nuclear Information System (INIS)
Liu, Yajun; Wang, Guan; Wang, Jiang; Chen, Yang; Long, Zhaohui
2012-01-01
Highlights: ► The thermodynamic properties of Ag–Hg and Cu–Hg are explored in order to facilitate dental materials design. ► A self-consistent set of thermodynamic parameters is obtained. ► The experimental information can be well reproduced by the optimized thermodynamic data. - Abstract: In order to facilitate the computational design of new amalgams for novel dental alloys, the phase equilibria, phase diagrams and thermodynamic functions for Ag–Hg and Cu–Hg binary systems are explored in this work, based on the CALPHAD framework and experimental characterizations. The Gibbs free energies of the solution phases as well as the stoichiometric phases are calculated, with the aid of enthalpies of mixing, activities, enthalpies of formation, and phase equilibrium data. The thermodynamic descriptions provided in this work enable the stabilities of each phase at various temperatures and compositions to be well described, which contribute to the establishment of a general database to design novel metallic dental materials.
Experimental investigation of phase equilibria in the Cu–Ni–Si ternary system
Energy Technology Data Exchange (ETDEWEB)
Liu, Xingjun; Xiang, Shulin; Yang, Shuiyuan; Shi, Rongpei; Wang, Cuiping, E-mail: wangcp@xmu.edu.cn
2013-11-25
Highlights: •Three isothermal sections of the Cu–Ni–Si system have been investigated. •The ternary compound τ{sub 1} and the liquid phase are confirmed at 1073 K. •The γ (Cu{sub 5}Si) and θ (Ni{sub 2}Si) phases can be stabilized at higher or lower temperatures. -- Abstract: The phase equilibria in the Cu–Ni–Si ternary system have been investigated experimentally by means of electron probe microanalysis (EPMA), X-ray diffraction (XRD) and differential scanning calorimetry (DSC) analysis on equilibrated ternary alloys. Three isothermal sections at 1073, 1173 and 1273 K are determined in the whole composition range. The existence of liquid phase and the ternary compound τ{sub 1} is confirmed at 1073 K. The binary γ (Cu{sub 5}Si), γ (Ni{sub 31}Si{sub 12}), δ (Ni{sub 2}Si) and θ (Ni{sub 2}Si) phases exhibit a considerable solubility of a third element. In addition, the γ (Cu{sub 5}Si) and θ (Ni{sub 2}Si) phases can be stabilized by the addition of Ni and Cu, respectively.
DEFF Research Database (Denmark)
Tybjerg, Peter Chr. V.; Kontogeorgis, Georgios; Michelsen, Michael Locht
2010-01-01
Proper representation at various conditions of phase equilibria of methanol-containing mixtures (with hydrocarbons, water, etc.) is Important for oil flow assurance purposes In this work two association equations of state. CPA and sPC-SAFT, are applied to methanol-containing mixtures The purpose ...
Modelling of phase equilibria for associating mixtures using an equation of state
International Nuclear Information System (INIS)
Ferreira, Olga; Brignole, Esteban A.; Macedo, Eugenia A.
2004-01-01
In the present work, the group contribution with association equation of state (GCA-EoS) is extended to represent phase equilibria in mixtures containing acids, esters, and ketones, with water, alcohols, and any number of inert components. Association effects are represented by a group-contribution approach. Self- and cross-association between the associating groups present in these mixtures are considered. The GCA-EoS model is compared to the group-contribution method MHV2, which does not take into account explicitly association effects. The results obtained with the GCA-EoS model are, in general, more accurate when compared to the ones achieved by the MHV2 equation with less number of parameters. Model predictions are presented for binary self- and cross-associating mixtures
Melt-gas phase equilibria and state diagrams of the selenium-tellurium system
Volodin, V. N.; Trebukhov, S. A.; Burabaeva, N. M.; Nitsenko, A. V.
2017-05-01
The partial pressures of saturated vapor of the components in the Se-Te system are determined and presented in the form of temperature-concentration dependences from which the boundaries of the melt-gas phase transition are calculated at atmospheric pressure and vacuums of 2000 and 100 Pa. The existence of azeotropic mixtures is revealed. It is found that the points of inseparably boiling melts correspond to 7.5 at % of Se and 995°C at 101325 Pa, 10.9 at % at 673°C and 19.5 at % at 522°C in vacuums of 2000 and 100 Pa, respectively. A complete state diagram is constructed, including the fields of gas-liquid equilibria at atmospheric and low pressures, the boundaries of which allow us to assess the behavior of selenium and tellurium upon distillation fractionation.
Urusova, A. S.; Cherepanov, V. A.; Aksenova, T. V.; Gavrilova, L. Y.; Kiselev, E. A.
2013-01-01
The phase equilibria in the Y-Ba-Co-O system were systematically studied at 1373 K in air. The intermediate phases formed in the Y-Ba-Co-O system at 1373 K in air were: YBaCo2O5+δ, YBaCo4O 7 and BaCo1-yYyO3-δ (0.09≤y≤0.42). It was shown that YBaCo2O5+δ possesses tetragonal structure with the 3ap×3a p×2ap superstructure (sp. gr. P4/mmm). High-temperature X-ray diffraction analysis of the YBaCo2O 5+δ in the temperature range from 298 K up to 1073 K under Po2=0.21 atm has not shown any phase tra...
Solid-state phase equilibria in the Fe-Pt-Pr ternary system at 1173 K
International Nuclear Information System (INIS)
Ren Jing; Gu Zhengfei; Cheng Gang; Zhou Huaiying
2005-01-01
The solid-state phase equilibria in the Fe-Pt-Pr ternary system at 1173 K (Pr ≤ 70%) were investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersion spectroscopy (EDS) techniques. The 1173 K isothermal section consists of 13 single-phase regions, 22 two-phase regions and 10 three-phase regions. At 1173 K, we have observed that the maximum solid solubility of Pt in α-Fe is below 1.5 at.% and the solid solution region of Pt in γ-Fe is from 2 to 35 at.%; the maximum solid solubility of Fe in Pt is 18 at.%. The maximum solubility of Fe in PrPt 5 , PrPt 3 , PrPt 2 , Pr 3 Pt 4 , PrPt, Pr 3 Pt 2 and Pr 7 Pt 3 is below 1 at.%. The maximum solubility of Pr in α-(Fe, Pt), γ-(Fe, Pt), FePt, FePt 3 and (Pt, Fe) (the solid solution of Fe in Pt) is 6, 2, 4, 4.5 and 1.5 at.%, respectively. In this work, it is found that the phase Pr 3 Pt 4 does not exist in the ternary system. The binary compounds Fe 7 Pr and Fe 2 Pr and any new ternary compounds were not observed
Phase equilibria of the Al-Pr-Zr ternary system at 773 K
Energy Technology Data Exchange (ETDEWEB)
She, Jia [Laboratory of Nonferrous Metal Materials and New Processing Technology, Ministry of Education, Guangxi University, Nanning, Guangxi 530004 (China); Zhan, Yongzhong, E-mail: zyzmatres@yahoo.com.c [Laboratory of Nonferrous Metal Materials and New Processing Technology, Ministry of Education, Guangxi University, Nanning, Guangxi 530004 (China); Li, Chunliu [Laboratory of Nonferrous Metal Materials and New Processing Technology, Ministry of Education, Guangxi University, Nanning, Guangxi 530004 (China); Du, Yong; Xu, Honghui; He, Yuehui [State Key Laboratory of Powder Metallurgy, Central South University, Changsha, Hunan 410083 (China)
2010-07-30
The phase equilibria of the Al-Pr-Zr ternary system at 773 K have been investigated mainly by means of X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and differential thermal analysis (DTA). The 14 binary compounds, i.e. AlZr{sub 3}, AlZr{sub 2}, Al{sub 2}Zr{sub 3}, Al{sub 3}Zr{sub 4}, AlZr, Al{sub 3}Zr{sub 2}, Al{sub 2}Zr, Al{sub 3}Zr, {alpha}-Al{sub 11}Pr{sub 3}, Al{sub 3}Pr, Al{sub 2}Pr, {beta}-AlPr, AlPr{sub 2} and {beta}-AlPr{sub 3} were confirmed. No binary compound was found in the Pr-Zr binary system. The result shows that the isothermal section of the Al-Pr-Zr ternary system at 773 K consists of 17 single-phase regions, 31 two-phase regions and 15 three-phase regions. All the intermediate compounds phases in this system have not a remarkable solid solution at 773 K. No ternary compound is found in this work.
Phase equilibria of the Al-Pr-Zr ternary system at 773 K
International Nuclear Information System (INIS)
She, Jia; Zhan, Yongzhong; Li, Chunliu; Du, Yong; Xu, Honghui; He, Yuehui
2010-01-01
The phase equilibria of the Al-Pr-Zr ternary system at 773 K have been investigated mainly by means of X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and differential thermal analysis (DTA). The 14 binary compounds, i.e. AlZr 3 , AlZr 2 , Al 2 Zr 3 , Al 3 Zr 4 , AlZr, Al 3 Zr 2 , Al 2 Zr, Al 3 Zr, α-Al 11 Pr 3 , Al 3 Pr, Al 2 Pr, β-AlPr, AlPr 2 and β-AlPr 3 were confirmed. No binary compound was found in the Pr-Zr binary system. The result shows that the isothermal section of the Al-Pr-Zr ternary system at 773 K consists of 17 single-phase regions, 31 two-phase regions and 15 three-phase regions. All the intermediate compounds phases in this system have not a remarkable solid solution at 773 K. No ternary compound is found in this work.
The calculation of phase equilibria of oxide core-concrete systems
International Nuclear Information System (INIS)
Ball, R.G.J.; Mignanelli, M.A.; Barry, T.I.; Gisby, J.A.
1993-01-01
Thermodynamic models have been developed to describe the phase equilibria of oxide solutions appropriate for the understanding of the chemical interactions between nuclear reactor core debris and concrete. For this purpose, the Gibbs energy of the liquid phase is described by the inclusion of associate species and nonideal interactions between the components and associate species. Assessments of the thermodynamic and phase equilibrium data for the subsystems of the CaO-Al 2 O 3 -SiO 2 -UO 2 -ZrO 2 system have been used to obtain a thermodynamic description of the crystalline and liquid phases in good agreement with published data. The data for the subsystems have then been combined, using well established principles, to predict the phase relationships in the ternary and quaternary sytsems and in the overall quinary system. The results show that he overall system cannot properly be treated as a pseudo-ideal liquid and solid solution, as used in some computer codes which attempt to model the physics and chemistry of core-concrete interactions. The limitations of the current model are discussed. (orig.)
Phase equilibria in the ternary In-Ni-Sn system at 700 °C.
Schmetterer, C; Zemanova, A; Flandorfer, H; Kroupa, A; Ipser, H
2013-04-01
The phase equilibria of the ternary system In-Ni-Sn were investigated experimentally at 700 °C using X-ray diffraction (XRD) and scanning electron microscopy (SEM) including electron micro probe analysis (EMPA) and energy dispersive X-ray spectroscopy (EDX). A corresponding isothermal section was established based on these results. This particular temperature was chosen because it allowed obtaining reliable results within reasonable time. The existence of the ternary phase InNi 6 Sn 5 was confirmed whereas the ternary compound In 2 NiSn, reported earlier in literature, was found to be part of a large solid solution field based on binary InNi. The ternary solubility of the binary phases was established, and continuous solid solutions were found between the isostructural phases Ni 3 Sn LT and InNi 3 as well as between Ni 3 Sn 2 HT and InNi 2 . In addition, this isothermal section could be well reproduced by CALPHAD modelling. The resulting calculated isotherm at 700 °C is presented, too, and compared with the experimental results.
The heat-capacity of ilmenite and phase equilibria in the system Fe-T-O
Anovitz, Lawrence M.; Treiman, A.H.; Essene, E.J.; Hemingway, B.S.; Westrum, E.F.; Wall, V.J.; Burriel, R.; Bohlen, S.R.
1985-01-01
Low temperature adiabatic calorimetry and high temperature differential scanning calorimetry have been used to measure the heat-capacity of ilmenite (FeTiO3) from 5 to 1000 K. These measurements yield S2980 = 108.9 J/(mol ?? K). Calculations from published experimental data on the reduction of ilmenite yield ??2980(I1) = -1153.9 kJ/(mol ?? K). These new data, combined with available experimental and thermodynamic data for other phases, have been used to calculate phase equilibria in the system Fe-Ti-O. Calculations for the subsystem Ti-O show that extremely low values of f{hook}O2 are necessary to stabilize TiO, the mineral hongquiite reported from the Tao district in China. This mineral may not be TiO, and it should be re-examined for substitution of other elements such as N or C. Consideration of solid-solution models for phases in the system Fe-Ti-O allows derivation of a new thermometer/oxybarometer for assemblages of ferropseudobrookite-pseudobrookitess and hematite-ilmenitess. Preliminary application of this new thermometer/oxybarometer to lunar and terrestrial lavas gives reasonable estimates of oxygen fugacities, but generally yields subsolidus temperatures, suggesting re-equilibration of one or more phases during cooling. ?? 1985.
International Nuclear Information System (INIS)
Wan, Li; Li, Hengde; Huang, Cheng; Feng, Yuqing; Chu, Guoqiang; Zheng, Yuying; Tan, Wei; Qin, Yanlin; Sun, Dalei; Fang, Yanxiong
2017-01-01
Highlights: • Ternary LLEs containing linalool and geraniol are presented. • Distribution ratios of 1-propanol in the mixtures are examined. • Influence of the temperature on the LLE is studied. • The LLE data were correlated using the NRTL and UNIQUAC models. - Abstract: Linalool and geraniol are the primary components of rose oil, palmarosa oil, and citronella oil and many other essential oils, and two important compounds used in the flavour and fragrance, cosmetic or pharmaceutical industries. Phase equilibria (LLE, VLE, solubility, etc.) and related thermodynamic properties of a mixture are essential in the processes design and control of mass transfer process. In this work, experimental (liquid + liquid) equilibria data of the systems (water + 1-propanl + linalool) and (water + 1-propanl + geraniol) are presented. The (liquid + liquid) equilibria of both systems were determined with a tie-line method at T = (283.15, 298.15 and 313.15) K under atmospheric pressure. The well-known Hand, Bachman and Othmer–Tobias equations were used to test the reliability of the experimental values. The influence of the temperature on the (liquid + liquid) phase equilibria of the mixtures, the binodal curves and distribution ratios of 1-propanl are shown and discussed. Moreover, the NRTL and UNIQUAC models were applied to fit the data for both ternary systems. The interaction parameters obtained from both models successfully correlated the equilibrium compositions. Furthermore, the ternary systems could be represented using the binary parameters of the thermodynamic model with a function of temperature.
Phase transitions of quadrupolar fluids
International Nuclear Information System (INIS)
OShea, S.F.; Dubey, G.S.; Rasaiah, J.C.
1997-01-01
Gibbs ensemble simulations are reported for Lennard-Jones particles with embedded quadrupoles of strength Q * =Q/(εσ 5 ) 1/2 =2.0 where ε and σ are the Lennard-Jones parameters. Calculations revealing the effect of the dispersive forces on the liquid endash vapor coexistence were carried out by scaling the attractive r -6 term in the Lennard-Jones pair potential by a factor λ ranging from 0 to 1. Liquid endash vapor coexistence is observed for all values of λ including λ=0 for Q * =2.0, unlike the corresponding dipolar fluid studied by van Leeuwen and Smit et al. [Phys. Rev. Lett. 71, 3991 (1993)] which showed no phase transition below λ=0.35 when the reduced dipole moment μ * =2.0. The simulation data are analyzed to estimate the critical properties of the quadrupolar fluid and their dependence on the strength λ of the dispersive force. The critical temperature and pressure show a clear quadratic dependence on λ, while the density is less confidently identified as being linear in λ. The compressibility is roughly linear in λ. copyright 1997 American Institute of Physics
Survey of the calculation of phase equilibria with the aid of the UNIFAC-method
Energy Technology Data Exchange (ETDEWEB)
Gmehling, J.; Rasmussen, P.; Fredenslund, A.
1981-09-01
In the design of diffusional separation processes and for many other practical purposes one needs quantitative estimates of phase equilibrium compositions. These compositions can today be predicted with good results using modern, two-parameter models for the excess Gibbs energy. However, since the number of different multicomponent mixtures of interest in chemical technology is very large, it is in practise often not possible to find experimental data in the literature for all the possible binary combinations. In these cases it is necessary to use a predictive approach. Today, group-contribution methods such as ASOG and UNIFAC may be used with confidence to predict liquid phase excess Gibbs energies. In these methods, the mixture is assumed to consist not of molecules but of the functional groups which, when added form the parent molecules. This has the advantage that a large number of mixtures of interest in chemical technology can be described in terms of relatively few parameters characterizing the interactions between the groups. This review article demonstrates the application of the UNIFAC method to various practical problems within phase equilibria. The UNIFAC method applies to mixtures of nonelectrolytes in the temperature range of 275-425 K and at pressures up to 10 bar.
International Nuclear Information System (INIS)
Throop, G.J.; Rogl, P.; Rudy, E.
1978-01-01
A Fortran IV program was set up for the calculation of phase equilibria and tieline distributions in ternary systems of the type: transition metal-transition metal-nonmetal (interstitial type of solid solutions). The method offers the possibility of determining the thermodynamic values for unstable compounds through their influence upon ternary phase equilibria. The variation of the free enthalpy of formation of ternary solid solutions is calculated as a function of nonmetal content, thus describing the actual curvature of the phase boundaries. The integral and partial molar free enthalpies of formation of binary nonstoichiometric compounds and of phase solutions are expressed as analytical functions of the nonmetal content within their homogeneity range. The coefficient of these analytical expressions are obtained by the use either of the Wagner-Schottky vacancy model or polynomials second order in composition (parabolic approach). The free energy of formation, ΔGsub(f) has been calculated for the systems Ti-C, Zr-C, and Ta-C. Calculations of the ternary phase equilibria yielded the values for ΔGsub(f) for the unstable compounds Ti 2 C at 1500 0 C and Zr 2 C at 1775 0 C of -22.3 and 22.7 kcal g atom metal respectively. These values were used for the calculation of isothermal sections within the ternary systems Ti-Ta-C (at 1500 0 C) and Zr-Ta-C (at 1775 0 C). The ideal case of ternary phase solutions is extended to regular solutions. (author)
Isothermal phase equilibria for the (HFC-32 + HFC-134a) mixed-gas hydrate system
International Nuclear Information System (INIS)
Miyauchi, Hiroshi; Yasuda, Kenjiro; Matsumoto, Yuuki; Hashimoto, Shunsuke; Sugahara, Takeshi; Ohgaki, Kazunari
2012-01-01
Highlights: ► Structural phase transition results in the heterogeneous azeotropic-like behaviour. ► HFC-134a molecules, in spite of an s-II former, occupy the large cages of s-I. ► Negative azeotropic-like behaviour becomes more remarkable at higher temperatures. - Abstract: Isothermal phase equilibria (pressure-composition relations in hydrate, gas, and aqueous phases) in the {difluoromethane (HFC-32) + 1,1,1,2-tetrafluoroethane (HFC-134a)} mixed-gas hydrate system were measured at the temperatures 274.15 K, 279.15 K, and 283.15 K. The heterogeneous azeotropic-like behaviour derived from the structural phase transition of (HFC-32 + HFC-134a) mixed-gas hydrates appears over the whole temperature range of the present study. In addition to the heterogeneous azeotropic-like behaviour, the isothermal phase equilibrium curves of the (HFC-32 + HFC-134a) mixed-gas hydrate system exhibit the negative homogeneous azeotropic-like behaviour at temperatures 279.15 K and 283.15 K. The negative azeotropic-like behaviour, which becomes more remarkable at higher temperatures, results in the lower equilibrium pressure of (HFC-32 + HFC-134a) mixed-gas hydrates than those of both simple HFC-32 and HFC-134a hydrates. Although the HFC-134a molecule forms the simple structure-II hydrate at the temperatures, the present findings reveal that HFC-134a molecules occupy a part of the large cages of the structure-I mixed-gas hydrate.
Energy Technology Data Exchange (ETDEWEB)
Haruki, Masashi; Yahiro, Yukihito; Higashi, Hidenori; Iwai, Yoshio; Arai, Yasuhiko [Kyushu University, FUkuoka (Japan). Graduate School of Engineering
1999-08-01
A modified-Soave-Redlich-Kwong (MSRK) equation of state with an exponent-type mixing rule for the energy parameter and a conventional rule for the size parameter is applied to correlate the phase equilibria for four binary mixtures of water + hydrocarbon (benzene, hexane, decane, and dodecane) systems at high temperatures and pressures. It is noted that good correlation results are obtained by using the mixing rules with interaction parameters between unlike molecules. (author)
Numerical study of two-fluid flowing equilibria of helicity-driven spherical torus plasmas
International Nuclear Information System (INIS)
Kanki, T.; Nagata, M.; Uyama, T.
2004-01-01
Two-fluid flowing equilibrium configurations of a helicity-driven spherical torus (HD-ST) are numerically determined by using the combination of the finite difference and the boundary element methods. It is found from the numerical results that electron fluids near the central conductor are tied to an external toroidal field and ion fluids are not. The magnetic configurations change from the high-q HD-ST (q>1) with paramagnetic toroidal field and low-β (volume average β value, ∼ 2%) through the helicity-driven spheromak and RFP (reverse field pinch) to the ultra low-q HD-ST (0 ∼ 18%) as the external toroidal field at the inner edge regions decreases and reverses the sign. The two-fluid effects are more significant in this equilibrium transition when the ion diamagnetic drift is dominant in the flowing two-fluid. (authors)
Phase equilibria of Al3(Ti,V,Zr) intermetallic system
International Nuclear Information System (INIS)
Park, S.I.; Han, S.Z.; Choi, S.K.; Lee, H.M.
1996-01-01
Trialuminides such as DO 22 -structured Al 3 Ti are promising candidates as potential materials for elevated temperature applications because of their attractive high temperature strength and excellent oxidation resistance along with their low density. However, in the tetragonal structure, slip systems are restricted due to low symmetry and the primary deformation mode is twinning. And, therefore, monolithic trialuminide compounds have been very impractical to be used as structural materials. When transition elements such as Ti, V and Zr which constitute trialuminides are alloyed in aluminum, they have low solubilities and low diffusion coefficients in the Al matrix. If precipitated as trialuminide intermetallics, they maintain a small lattice mismatch with the Al matrix, which reduces the interfacial energy between matrix and precipitates. As a result, these precipitates would have a large coarsening resistance in the matrix. As most of the previous works have been concentrated on the microstructural stability and mechanical properties, thermochemical properties will be treated in this work. In this study, phase equilibria and diagrams of Al 3 (Ti,V,Zr) systems will be experimentally determined and then thermodynamically analyzed with a hope to extend to the Al-Al 3 (Ti,V,Zr) composite system. This approach will then be used as a guide for alloy design of Al-Al 3 (Ti,V,Zr) composite system
Phase equilibria in the Ni–Al–Ga system at 700 °C
International Nuclear Information System (INIS)
Belyavina, N.; Markiv, V.; Nakonechna, O.; Lozovyi, F.
2014-01-01
Graphical abstract: - Highlights: • We study phase equilibria in ternary Ni–Al–Ga in the whole concentration range. • Ni(Al,Ga), Ni 2 (Al,Ga) 3 , Ni 5 (Al,Ga) 3 extended solid solutions exist in this system. • Isothermal section (700 °C) of the Ni–Al–Ga system has been constructed. • Small additions of Ga increase compressive strength of Ni 3 (Al,Ga) solid solution. - Abstract: Phase relations in the ternary Ni–Al–Ga system at 700 °C have been established by the X-ray powder diffraction methods. In addition to already known Ni 3 (Al,Ga) continuous solid solution, Ni(Al,Ga) continuous solid solution as well as Ni 2 (Al,Ga) 3 and Ni 5 (Al,Ga) 3 extended solid solutions were found to exist in this system. It was shown that the ternary Ni 2 (Al,Ga) 3 and Ni 5 (Al,Ga) 3 compounds do not belong to the continuous solid solutions because of two-phase gaps on the Ni 2 Al 3 –Ni 2 Ga 3 (∼30–50 at.% Ga) and Ni 5 Al 3 –Ni 5 Ga 3 (∼12–25 at.% Ga) isolines at 700 °C. Some crystal structure peculiarities such as atomic ordering–disordering and presence of structural vacancies have been revealed for all solid solutions existing in the Ni–Al–Ga system. It was found that the compressive strength of the Ni 3 (Al,Ga) solid solution increases with small additions of gallium (about 2.5 at.%). The isothermal section (700 °C) of the ternary Ni–Al–Ga system including four extended solid solutions (Ni 3 (Al,Ga), Ni 5 (Al,Ga) 3 , Ni(Al,Ga) and Ni 2 (Al,Ga) 3 ) has been constructed and plotted
Calculation of Liquid Water-Hydrate-Methane Vapor Phase Equilibria from Molecular Simulations
DEFF Research Database (Denmark)
Jensen, Lars; Thomsen, Kaj; von Solms, Nicolas
2010-01-01
using the TIP4P/ice potential and a united-atom Lennard-Jones potential. respectively. The equilibrium calculation method for this system has three components, (i) thermodynamic integration from a supercritical ideal gas to obtain the fluid-phase chemical potentials. (ii) calculation of the chemical...
Phase equilibria in the BaUO3-BaZrO3-BaMoO3 system
International Nuclear Information System (INIS)
Kurosaki, Ken; Yamanaka, Shinsuke; Matsuda, Tetsushi; Uno, Masayoshi; Yamamoto, Kazuya; Namekawa, Takashi
2002-01-01
The phase equilibria in the pseudo-ternary BaUO 3 -BaZrO 3 -BaMoO 3 system were studied to understand the thermochemical properties of the perovskite type gray oxide phase in high burnup MOX fuel. Thermodynamic equilibrium calculation for the system was performed by using a Chem Sage program under the various oxygen potentials. Solid solutions existing in the system were treated by an ideal solution model. The present calculation results well agreed with the previous reported post irradiation examination results, showing that BaMoO 3 was scarcely included in the gray oxide phase. (author)
Influence of Adsorption and Capillary Pressure on Phase Equilibria Inside Shale Reservoirs
DEFF Research Database (Denmark)
Sandoval, Diego R.; Yan, Wei; Michelsen, Michael L.
2018-01-01
is moderate in comparison to the that at low pressure and high temperature. The adsorption effects are stronger for the gas bulk phase region, leading to bigger changes in the gas phase composition and the shift of the dew point curve. PVT simulations of two model reservoir fluid systems show significant...... envelope is different. In general, a much shrunk phase envelope with a shifted critical point is observed. The heavier components are preferentially adsorbed in the whole pressure and temperature range studied here. At high pressure and low temperature, the selectivity towards heavier components...
Esina, Zoya; Miroshnikov, Aleksandr; Korchuganova, Margarita
2014-01-01
The PCEAS model was used to study the liquid-solid and liquid-vapor phase transitions at constant pressure in systems containing glycols and glycol ethers. This method is based on minimizing the excess Gibbs energy over the solvation parameter, which takes into account the processes of association of molecules in various phases. To compute the diagrams, the data on enthalpy and phase transition temperatures of pure components are required, while the information about the interactions in the b...
Thermodynamic analysis and phase equilibria investigation in Pb−Zn−Ag system
Directory of Open Access Journals (Sweden)
Mitovski Aleksandra M.
2010-01-01
Full Text Available Physico-chemical processes that take place during the refining process in the extractive metallurgy of lead, are connected with ternary Pb−Zn−Ag system, which is necessary to study from the theoretical practical and aspects. Such investigation is important from production point of view, because of the phenomena that occur during desilvering of lead which is one of the important stages during lead refining process. Process of lead desilvering binds to ternary system Pb−Zn−Ag, which was the reason for numerous investigations, both from thermodynamic point of view and in terms of testing and determining the phase diagram, bearing in mind the theoretical, and practical importance of knowledge about the processes which are going in investigated system. The paper presents the results of thermodynamic analysis and investigation of phase equilibria of the Pb−Zn−Ag ternary system using the method of thermodynamic predictions and phase diagrams calculations, respectively, and the experimental results of metalography obtained by optical microscopy. Phase diagram of the vertical section Pb−Zn80Ag20 is presented, obtained by CALPHAD calculation methodology, and using PANDAT thermodynamic software, compared to experimental results obtained by DTA analysis. The results show a pronounced break in solubility, which is characteristic for the whole ternary Pb−Zn−Ag system. Also, it can be noticed that the thermodynamic properties follow the behavior of this system, which is expressed through positive deviation of Raoult’s law, pointing to the lack of lead affinity compared to the other two components in the system. The optical microscopy results of the investigated system show the following: - Sample L1 (weight% Pb = 98: the structure of the observed section shows double eutectic (Pbsol+Zn−Agsol which lies in the base of the primary crystals of lead (Pbsol - Samples L2−L5: the structure consists of a dual eutectic (Pbsol+Zn−Agsol and
Phase Equilibria of the Sn-Ni-Si Ternary System and Interfacial Reactions in Sn-(Cu)/Ni-Si Couples
Fang, Gu; Chen, Chih-chi
2015-07-01
Interfacial reactions in Sn/Ni-4.5 wt.%Si and Sn-Cu/Ni-4.5 wt.%Si couples at 250°C, and Sn-Ni-Si ternary phase equilibria at 250°C were investigated in this study. Ni-Si alloys, which are nonmagnetic, can be regarded as a diffusion barrier layer material in flip chip packaging. Solder/Ni-4.5 wt.%Si interfacial reactions are crucial to the reliability of soldered joints. Phase equilibria information is essential for development of solder/Ni-Si materials. No ternary compound is present in the Sn-Ni-Si ternary system at 250°C. Extended solubility of Si in the phases Ni3Sn2 and Ni3Sn is 3.8 and 6.1 at.%, respectively. As more Si dissolves in these phases their lattice constants decrease. No noticeable ternary solubility is observed for the other intermetallics. Interfacial reactions in solder/Ni-4.5 wt.%Si are similar to those for solder/Ni. Si does not alter the reaction phases. No Si solubility in the reaction phases was detected, although rates of growth of the reaction phases were reduced. Because the alloy Ni-4.5 wt.%Si reacts more slowly with solders than pure Ni, the Ni-4.5 wt.%Si alloy could be a potential new diffusion barrier layer material for flip chip packaging.
Stability analysis of sharp-boundary Vlasov-fluid screw-pinch equilibria
International Nuclear Information System (INIS)
Lewis, H.R.; Turner, L.
1975-01-01
The Vlasov-fluid model is being used to study the linear stability of sharp-boundary screw pinches numerically. The numerical method appears to work well, and some preliminary results are reported. The sharp-boundary calculation is useful for gaining insight and for comparing with known MHD results. (auth)
Fowler, S.; Spera, F.; Bohrson, W.; Belkin, H.; Devivo, B.
2005-12-01
discovery of a pseudo-invariant point at ~883°C (Tip) and 0.15 GPa. The fraction of melt changes abruptly from ~0.5 to ~0.1 at Tip due to the simultaneous crystallization of alkali feldspar, plagioclase, spinel, biotite and apatite. At Tip, there is a dramatic decrease in the viscosity of melt (by a factor of four) and magma density (~5%) and an increase in the dissolved H2O content of the melt (from 4.4-5.1 wt%) and in the volume fraction,θ, of supercritical fluid in the multiphase system. In particular, θ increases from ~0.05 at 885°C to ~0.6 at 882°C. The liquid composition also changes discontinuously at Tip with Si, Na, and H2O increasing and K and Al decreasing as temperature falls below Tip. The marked variations in composition and properties of volatile-saturated melt and magma were the trigger that led to the catastrophic eruption and formation of the compositionally-zoned CI magma. Because phase equilibria modeling provides information on the enthalpy changes associated with fractional crystallization and because the dimensions of the CI magma chamber and heat extraction rate can be approximated, a time scale for CI magmatic evolution can be derived. The estimated crystallization duration (τ) is10-100 ka and 75% of τ is spent at or near Tip.
Xu, Jiulei; Zheng, Changqing; Tajcmanova, Lucie; Zhong, Xin; Xu, Xuechun; Han, Xiaomeng; Wang, Zhaoyuan
2017-04-01
Xinghuadukou Group, the basement metamorphic complex of Erguna Massif in NE China, is considered to be Mesoproterozoic with Sm-Nd age of 1157±32 Ma. However, the new zircon data from these metamorphic supracrustal rocks in Lvlin Forest show that they formed in Neoproterozoic with the age of 800 Ma. Old zircon age with 2.5 Ga, 2.0 Ga and 1.8 Ga, indicate that the Erguna Massif had an affinity to both Columbia and Rodinia continents. Furthermore, we also present 500 Ma metamorphic age in micashists and 500 Ma age of adjacent granitoids that might have thermally influenced its surrounding. No detailed studies have been undertaken on the metamorphic evolution of the Xinghuadukou Complex. The typical paragneissic mineral assemblage of garnet sillimanite mica schist is Grt+Sil+Bt+Mus+Qtz±Kfs. (Zhou et al., 2011) proposed that the Xinghuadukou Complex appears to have undergone similar granulite facies metamorphic conditions based on the similarity of mineral assemblages to the Mashan Complex in the Jiamusi Massif, NE China. However, the new phase equilibria modelling result shows that these rocks are high amphibolite facies product with 650℃. We can easily find K-feldspar formed by partial melting due to the consuming of muscovite. Also the remaining muscovite is directly connected with a fluid channel in thin sections which indicate that the remaining muscovite formed from retrograde with the existence of fluid. The zoned garnet has low MgO and high CaO content in rims and high MgO and low CaO content in core. It seems that this garnet has high pressure and low temperature (HP-LT) in rims and low pressure and high temperature (LP-HT) in core which would point to an anti-clockwise metamorphic evolution. Zhou, J.B., Wilde, S.A., Zhang, X.Z., Zhao, G.C., Liu, F.L., Qiao, D.W., Ren, S.M. and Liu, J.H., 2011b. A> 1300km late Pan-African metamorphic belt in NE China: new evidence from the Xing'an block and its tectonic implications. Tectonophysics, 509(3): 280-292.
Phase space density representations in fluid dynamics
International Nuclear Information System (INIS)
Ramshaw, J.D.
1989-01-01
Phase space density representations of inviscid fluid dynamics were recently discussed by Abarbanel and Rouhi. Here it is shown that such representations may be simply derived and interpreted by means of the Liouville equation corresponding to the dynamical system of ordinary differential equations that describes fluid particle trajectories. The Hamiltonian and Poisson bracket for the phase space density then emerge as immediate consequences of the corresponding structure of the dynamics. For barotropic fluids, this approach leads by direct construction to the formulation presented by Abarbanel and Rouhi. Extensions of this formulation to inhomogeneous incompressible fluids and to fluids in which the state equation involves an additional transported scalar variable are constructed by augmenting the single-particle dynamics and phase space to include the relevant additional variable
Phase Transformations and Phase Equilibria in the Fe-N System at Temperatures below 573 K
DEFF Research Database (Denmark)
Malinov, S.; Böttger, A.J.; Mittemeijer, E.J.
2001-01-01
The phase transformations of homogeneous Fe-N alloys of nitrogen contents from 10 to 26 at. pct were investigated by means of X-ray diffraction analysis upon aging in the temperature range from 373 to 473 K. It was found that precipitation of alpha double prime-Fe16N2 below 443 K does not only oc...
Modelling of phase equilibria of glycol ethers mixtures using an association model
DEFF Research Database (Denmark)
Garrido, Nuno M.; Folas, Georgios; Kontogeorgis, Georgios
2008-01-01
Vapor-liquid and liquid-liquid equilibria of glycol ethers (surfactant) mixtures with hydrocarbons, polar compounds and water are calculated using an association model, the Cubic-Plus-Association Equation of State. Parameters are estimated for several non-ionic surfactants of the polyoxyethylene ...
Thermodynamic modelling of phase equilibria in Al–Ga–P–As system
Indian Academy of Sciences (India)
A generalized thermodynamic expression of the liquid Al–Ga–P–As alloys is used in conjunction with the solid solution model in determining the solid–liquid equilibria at 1173 K and 1273 K. The liquid solution model contains thirtyseven parameters. Twentyfour of them pertain to those of the six constituent binaries, twelve ...
Simulation of the high-pressure phase equilibria of hydrocarbon-water/brine systems
DEFF Research Database (Denmark)
Zuo, You-Xiang; Stenby, Erling Halfdan; Guo, Tian-Min
1996-01-01
The major objectives of this work are: (1) extend the modified Patel-Teja (MPT) equation of state proposed for aqueous electrolyte systems (Zuo and Guo, 1991) to describe the liquid-liquid and vapor-liquid-liquid equilibria of hydrocarbon-water/brine systems through introducing an unconventional...
Heat capacity and phase equilibria of almandine, Fe3Al2Si3O12
Anovitz, Lawrence M.; Essene, E.J.; Metz, G.W.; Bohlen, S.R.; Westrum, E.F.; Hemingway, B.S.
1993-01-01
The heat capacity of a synthetic almandine, Fe3Al2Si3O12, was measured from 6 to 350 K using equilibrium, intermittent-heating quasi-adiabatic calorimetry and from 420 to 1000 K using differential scanning calorimetry. These measurements yield Cp298 = 342.80 ?? 1.4 J/mol ?? K and S298o = 342.60 J/mol ?? K. Mo??ssbauer characterizations show the almandine to contain less than 2 ?? 1% of the total iron as Fe3+. X-ray diffraction studies of this synthetic almandine yield a = 11.521 ?? 0.001 A?? and V298o = 115.11 +- 0.01 cm3/mol, somewhat smaller than previously reported. The low-temperature Cp data indicate a lambda transition at 8.7 K related to an antiferromagnetic-paramagnetic transition with TN = 7.5 K. Modeling of the lattice contribution to the total entropy suggests the presence of entropy in excess of that attributable to the effects of lattice vibrations and the magnetic transition. This probably arises from a low-temperature electronic transition (Schottky contribution). Combination of the Cp data with existing thermodynamic and phase equilibrium data on almandine yields ??Gf,298o = -4938.3 kJ/mol and ??Hf,298o= -5261.3 kJ/mol for almandine when calculated from the elements. The equilibrium almandine = hercynite + fayalite + quartz limits the upper T P for almandine and is metastably located at ca. 570??C at P = 1 bar, with a dP dT of +17 bars/??C. This agrees well with reversed experiments on almandine stability when they are corrected for magnetite and hercynite solid-solutions. In {norm of matrix}O2-T space, almandine oxidizes near QFM by the reactions almandine + O2 = magnetite + sillimanite + quartz and almandine + 02 = hercynite + magnetite + quartz. With suitable correction for reduced activities of solid phases, these equilibria provide useful oxygen barometers for medium- to high-grade metamorphic rocks. ?? 1993.
DEFF Research Database (Denmark)
Frost, Michael; Kontogeorgis, Georgios; Stenby, Erling Halfdan
2013-01-01
for critical temperature, pressure and acentric factor.This work presents new phase equilibrium data for binary MEG/reservoir fluid and ternary MEG/water/reservoir fluid systems, where two reservoir fluids from Statoil operated fields are used. The solubility data are reported over a range of temperatures......The complex phase equilibrium between reservoir fluids and associating compounds like water and glycols has become more and more important as the increasing global energy demand pushes the oil industry to use advanced methods to increase oil recovery, such as increasing the use of various chemicals...... to ensure a constant and safe production. The CPA equation of state has been successfully applied in the past to well defined systems and gas condensates, containing associating compounds. It has also been extended to reservoir fluids in presence of water and polar chemicals using modified correlations...
Phase equilibria for mixtures containing nonionic surfactant systems: Modeling and experiments
International Nuclear Information System (INIS)
Shin, Moon Sam; Kim, Hwayong
2008-01-01
Surfactants are important materials with numerous applications in the cosmetic, pharmaceutical, and food industries due to inter-associating and intra-associating bond. We present a lattice fluid equation-of-state that combines the quasi-chemical nonrandom lattice fluid model with Veytsman statistics for (intra + inter) molecular association to calculate phase behavior for mixtures containing nonionic surfactants. We also measured binary (vapor + liquid) equilibrium data for {2-butoxyethanol (C 4 E 1 ) + n-hexane} and {2-butoxyethanol (C 4 E 1 ) + n-heptane} systems at temperatures ranging from (303.15 to 323.15) K. A static apparatus was used in this study. The presented equation-of-state correlated well with the measured and published data for mixtures containing nonionic surfactant systems
Energy Technology Data Exchange (ETDEWEB)
Michalis, Vasileios K.; Costandy, Joseph; Economou, Ioannis G., E-mail: ioannis.economou@qatar.tamu.edu [Chemical Engineering Program, Texas A and M University at Qatar, P.O. Box 23847, Doha (Qatar); Tsimpanogiannis, Ioannis N.; Stubos, Athanassios K. [Environmental Research Laboratory, National Center for Scientific Research NCSR “Demokritos,” Aghia Paraskevi, Attiki GR-15310 (Greece)
2015-01-28
The direct phase coexistence method is used for the determination of the three-phase coexistence line of sI methane hydrates. Molecular dynamics (MD) simulations are carried out in the isothermal–isobaric ensemble in order to determine the coexistence temperature (T{sub 3}) at four different pressures, namely, 40, 100, 400, and 600 bar. Methane bubble formation that results in supersaturation of water with methane is generally avoided. The observed stochasticity of the hydrate growth and dissociation processes, which can be misleading in the determination of T{sub 3}, is treated with long simulations in the range of 1000–4000 ns and a relatively large number of independent runs. Statistical averaging of 25 runs per pressure results in T{sub 3} predictions that are found to deviate systematically by approximately 3.5 K from the experimental values. This is in good agreement with the deviation of 3.15 K between the prediction of TIP4P/Ice water force field used and the experimental melting temperature of ice Ih. The current results offer the most consistent and accurate predictions from MD simulation for the determination of T{sub 3} of methane hydrates. Methane solubility values are also calculated at the predicted equilibrium conditions and are found in good agreement with continuum-scale models.
Phase equilibria of binary mixtures by molecular simulation and cubic equations of state
Directory of Open Access Journals (Sweden)
Cabral V.F.
2001-01-01
Full Text Available Molecular simulation data were used to study the performance of equations of state (EoS and combining rules usually employed in thermodynamic property calculations. The Monte Carlo method and the Gibbs ensemble technique were used for determining composition and densities of vapor and liquid phases in equilibrium for binary mixtures of Lennard-Jones fluids. Simulation results are compared to data in the literature and to those calculated by the t-PR-LJ EoS. The use of adequate combining rules has been shown to be very important for the satisfactory representation of molecular simulation data.
International Nuclear Information System (INIS)
Strach, Michal
2015-01-01
Due to their physical and chemical properties, mixed uranium-plutonium oxides are considered for fuel in 4. generation nuclear reactors. In this frame, complementary experimental studies are necessary to develop a better understanding of the phenomena that take place during fabrication and operation in the reactor. The focus of this work was to study the U-Pu-O phase diagram in a wide range of compositions and temperatures to ameliorate our knowledge of the phase equilibria in this system. Most of experiments were done using in situ X-ray diffraction at elevated temperatures. The control of the oxygen partial pressure during the treatments made it possible to change the oxygen stoichiometry of the sample, which gave us an opportunity to study rapidly different compositions and the processes involved. The experimental approach was coupled with thermodynamic modeling using the CALPHAD method, to precisely plan the experiments and interpret the obtained results. This approach enabled us to enhance the knowledge of phase equilibria in the U-Pu-O system. (author) [fr
Kou, Jisheng; Sun, Shuyu
2017-01-01
Capillary pressure can significantly affect the phase properties and flow of liquid-gas fluids in porous media, and thus, the phase equilibrium calculation incorporating capillary pressure is crucial to simulate such problems accurately. Recently
Phase equilibria and crystalline structure of compounds in the Lu-Al and Lu-Cu-Al systems
International Nuclear Information System (INIS)
Kuz'ma, Yu.B.; Stel'makhovich, B.M.; Galamushka, L.I.
1992-01-01
Phase equilibria and crystal structure of compounds in Lu-Al and Lu-Cu-Al systems were studied. Existence of Lu 2 Al compound having the structure of the PbCl 2 type is ascertained. Diagram of phase equilibria of Lu-Cu-Al system at 870 K is plotted. Compounds Lu 2 (Cu,Al) 17 (the Th 2 Zn 17 type structure), Lu(Cu,Al) 5 (CaCu 5 type structure), Lu 6 (Cu,Al) 23 (Th 6 Mn 23 type structure) and ∼ LuCuAl 2 have been prepared for the first time. Investigation of component interaction in Lu-Cu-Al system shows that the system is similar to previously studied systems Dy-Cu-Al and Er-Cu-Al. The main difference consists in the absence of LuCuAl 3 compound with rhombic structure of the CeNi 2+x Sb 2-x type in the system investigated
DEFF Research Database (Denmark)
Cismondi, Martin; Mollerup, Jørgen M.; Zabaloy, Marcelo S.
2010-01-01
for a great diversity of mixtures. Nevertheless, the models for representing phase equilibria and physico-chemical properties of asymmetric systems may require more flexible mixing rules than the classical quadratic van der Waals (vdW) mixing rules or their equivalent (with regard to the number of available...... interaction parameters) in modern equations of state.In particular, the phase equilibria of binary mixtures containing CO2 and heavy n-alkanes have been studied by an important number of authors and using different types of models, achieving only partially accurate results and realizing the difficulties...
Phase equilibria and stability of the B2 phase in the Ni-Mn-Al and Co-Mn-Al systems
International Nuclear Information System (INIS)
Kainuma, R.; Ise, M.; Ishikawa, K.; Ohnuma, I.; Ishida, K.
1998-01-01
The phase equilibria and ordering reactions in the composition region up to 50 at.% Al have been investigated in the Ni-Mn-Al and Co-Mn-Al systems at temperatures in the interval 850-1200 C mainly by the diffusion couple method. The compositions of the γ (A1: fcc-Ni, -Co, γ-Mn), γ' (L1 2 : Ni 3 Al), β (B2: NiAl, CoAl, NiMn), β-Mn (A13: β-Mn type), δ-Mn (A2: bcc-Mn) and ε (A3: hcp-(Mn, Al)) phases in equilibrium and the critical boundaries of the A2/B2 continuous ordering transition in the bcc phase region have been determined. It is shown that in the Mn-rich portion of the ternary systems both continuous and discontinuous A2 to B2 ordering transitions exist. The A2+B2 two-phase region in the isothermal sections has a lenticular shape and exists over a wide temperature range. The phase equilibria between the γ, γ', β, β-Mn, δ-Mn and ε phases are presented and the stability of the ordered bcc aluminides is discussed. (orig.)
Elastic energy and metastable phase equilibria for coherent mixtures in cubic systems
International Nuclear Information System (INIS)
Williams, R.O.
1979-02-01
Expressions were derived for the elastic energy due to coherency for cubic systems for an isotropic structure and for (100) or (111) habit planes for a lamellar structure. For the metastable equilibria the usual tangent compositions are replaced by compositions that are tangent to the elastic energy curve. For a loss of coherency there is an energy decrease due to the elastic effects and a further decrease associated with compositional changes. Information contained within this treatment permits calculation of the x-ray diffraction effects for such structures
Experimental study of the phase equilibria in the Mg–Zn–Ag ternary system at 300 °C
Energy Technology Data Exchange (ETDEWEB)
Wang, Jian, E-mail: jian.wang@polymtl.ca [Center for Research in Computational Thermochemistry (CRCT), Department of Chemical Engineering, École Polytechnique, Montréal, Québec H3C 3A7 (Canada); Zhang, Yi-Nan [Department of Mechanical Engineering, Concordia University, 1455 De Maisonneuve Blvd. West, Montreal, Quebec H3G 1M8 (Canada); Hudon, Pierre; Jung, In-Ho [Department of Mining and Materials Engineering, McGill University, 3610 University Street, Montreal, Quebec H3A 0C5 (Canada); Medraj, Mamoun [Department of Mechanical Engineering, Concordia University, 1455 De Maisonneuve Blvd. West, Montreal, Quebec H3G 1M8 (Canada); Department of Mechanical and Materials Engineering, Masdar Institute, Masdar City, P.O. Box 54224, Abu Dhabi (United Arab Emirates); Chartrand, Patrice [Center for Research in Computational Thermochemistry (CRCT), Department of Chemical Engineering, École Polytechnique, Montréal, Québec H3C 3A7 (Canada)
2015-08-05
Highlights: • The phase equilibria of Mg–Zn–Ag system at 300 °C were determined. • A bcc continuous ternary solid solution forms between MgAg (bcc-B2) and AgZn (bcc-A2) was determined. • The extended solid solubilities of the sub-binary compounds were also determined. - Abstract: The phase equilibria in the Mg–Zn–Ag ternary system at 300 °C were investigated using three diffusion couples and 35 key samples. Scanning electron microscopy (SEM) equipped with energy-dispersive spectroscope (EDS) and X-ray diffraction (XRD) techniques were used for homogeneity ranges and crystal structure determination. Large solid solubility limits, due to substitution among Mg, Zn and Ag atoms in Mg{sub 3}Ag and MgZn{sub 2} phases, were observed in the present work. Solid solubility limits of Ag and Zn in the hcp (Mg) phase were found to be less than 1 at.%. The extended solid solubilities of the Mg{sub 12}Zn{sub 13}, Mg{sub 2}Zn{sub 3}, MgZn{sub 2} (C14), Mg{sub 2}Zn{sub 11}, Ag{sub 5}Zn{sub 8} and hcp (AgZn{sub 3}) sub-binary compounds were also determined in the Mg–Zn–Ag ternary system. In addition, a bcc continuous ternary solid solution forms between MgAg (bcc-B2) and AgZn (bcc-A2) at 300 °C.
Thermodynamics phase changes of nanopore fluids
Islam, Akand W.; Patzek, Tadeusz; Sun, Alexander Y.
2015-01-01
The van der Waals (vdW) equation (Eq.) is modified to describe thermodynamic of phase behavior of fluids confined in nanopore. Our aim is to compute pressures exerted by the fluid molecules and to investigate how they change due to pore proximity by assuming the pore wall is inert. No additional scaling of model parameters is imposed and original volume and energy parameters are used in the calculations. Our results clearly show the phase changes due to confinement. The critical shifts of temperatures and pressures are in good agreement compared to the laboratory data and molecular simulation. Peng-Robinson (PR) equation-of-state (EOS) has resulted in different effect than the vdW. This work delivers insights into the nature of fluid behavior in extremely low-permeability nanoporous media, especially in the tight shale reservoirs, below the critical temperatures. © 2015 Elsevier B.V.
Thermodynamics phase changes of nanopore fluids
Islam, Akand W.
2015-07-01
The van der Waals (vdW) equation (Eq.) is modified to describe thermodynamic of phase behavior of fluids confined in nanopore. Our aim is to compute pressures exerted by the fluid molecules and to investigate how they change due to pore proximity by assuming the pore wall is inert. No additional scaling of model parameters is imposed and original volume and energy parameters are used in the calculations. Our results clearly show the phase changes due to confinement. The critical shifts of temperatures and pressures are in good agreement compared to the laboratory data and molecular simulation. Peng-Robinson (PR) equation-of-state (EOS) has resulted in different effect than the vdW. This work delivers insights into the nature of fluid behavior in extremely low-permeability nanoporous media, especially in the tight shale reservoirs, below the critical temperatures. © 2015 Elsevier B.V.
Epifano, Enrica; Guéneau, Christine; Belin, Renaud C; Vauchy, Romain; Lebreton, Florent; Richaud, Jean-Christophe; Joly, Alexis; Valot, Christophe; Martin, Philippe M
2017-07-03
In the frame of minor actinide transmutation, americium can be diluted in UO 2 and (U, Pu)O 2 fuels burned in fast neutron reactors. The first mandatory step to foresee the influence of Am on the in-reactor behavior of transmutation targets or fuel is to have fundamental knowledge of the Am-O binary system and, in particular, of the AmO 2-x phase. In this study, we coupled HT-XRD (high-temperature X-ray diffraction) experiments with CALPHAD thermodynamic modeling to provide new insights into the structural properties and phase equilibria in the AmO 2-x -AmO 1.61+x -Am 2 O 3 domain. Because of this approach, we were able for the first time to assess the relationships between temperature, lattice parameter, and hypostoichiometry for fcc AmO 2-x . We showed the presence of a hyperstoichiometric existence domain for the bcc AmO 1.61+x phase and the absence of a miscibility gap in the fcc AmO 2-x phase, contrary to previous representations of the phase diagram. Finally, with the new experimental data, a new CALPHAD thermodynamic model of the Am-O system was developed, and an improved version of the phase diagram is presented.
Energy Technology Data Exchange (ETDEWEB)
Martinez Reyes, Jose; Gonzalez Partida, Eduardo; Tinoco-Michel, Jorge A [Centro de Geociencias, Universidad Nacional Autonoma de Mexico Campo de Juriquilla, Qro., Mexico, apartado postal 76230 (Mexico); Perez, Renee J; Heidemann, Robert A [Department of Chemical and Petroleum Engineering, University of Calgary, 2500 University Drive, Calgary Alberta, T2N 1N4 (Canada)
2008-10-01
We present a thermodynamic model for the phase equilibria of gases and brines, which couples Henry's Law with the Soave-Redlich-Kwong equation of state to reproduce experimental data. In this communication we focus on the H{sub 2}S H{sub 2}O NaCl system.
Directory of Open Access Journals (Sweden)
N. Bender
2013-03-01
Full Text Available Cubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction involving polar substances in wide temperature and pressure ranges. In this work, the predictive performances of the PC-SAFT with association contribution and Peng-Robinson (PR combined with UNIFAC (Do through mixing rules are compared. Binary and multi-component systems involving polar and non-polar substances were analyzed. Results were also compared to experimental data available in the literature. Results show a similar predictive performance for PC-SAFT with association and cubic equations combined with UNIFAC (Do through mixing rules. Although PC-SAFT with association requires less parameters, it is more complex and requires more computation time.
Thermodynamic Modeling of Multi-phase Solid–Liquid Equilibria in Industrial-Grade Oils and Fats
DEFF Research Database (Denmark)
Hjorth, Jeppe Lindegaard; Miller, Rasmus L.; Woodley, John M.
2015-01-01
Compositional thermodynamic phase separation is investigated for industrial-grade vegetable oils with complex compositions. Solid–liquid equilibria have been calculated by utilizing the Margules 2-suffix activity-coefficient model in combination with minimization of the Gibb’s free energy...... of the system. On the basis of quasi-equilibrium solid-fat content (SFC) measurements, a new approach to the estimation of the interaction parameters, needed for the activity-coefficient model, has been developed. The parameters are fitted by matching the SFC of two oils at various degrees of dilution...... and isothermal temperatures. Subsequently, the parameters are successfully validated against three oils, rich in asymmetric and symmetric triacylglycerols (TAG), respectively. The new approach developed is shown to be very flexible, allowing incorporation of additional TAG and polymorphic states. It thereby...
Loomans, M. E.; Chi, D. Z.; Chua, S. J.
2004-10-01
Bulk-phase equilibria in Ni-rich/Si-rich alloys of the Ni-Pt-Si and Ni-Pd-Si systems were investigated. Results suggest that a bulk monosilicide solid solution, containing up to at least 11 at. pct Pt, exists in the Ni-Pt-Si system. Monosilicides containing more than 11 at. pct Pt were not examined. Results from both ternary systems point convincingly to the existence of a NiSi+Si↔NiSi2 eutectoid reaction near 700 °C in the Ni-Si binary system; data from the Ni-Pt-Si system, which yield the more accurate determination of the eutectoid temperature, place it at roughly 710 °C. The Pt and Pd concentrations of monosilicide in equilibrium with disilicide and Si were measured using energy-dispersive spectrometry (EDS) and were found to increase with temperature.
International Nuclear Information System (INIS)
Kuz'ma, Yu.B.; Zakharchuk, N.P.; Maksimova, L.T.
1988-01-01
The methods of X-ray analysis are used to study the R-Mo-B (R-Tb, Dy, Ho) systems and isothermal sections of phase equilibria diagrams at 1273 K are plotted. A formation of RMoB 4 (structure of the YCrB 4 type) is confirmed and borides R 3 MoB 7 (structure of the Er 3 CrB 7 type) and ∼ RMo 4 B 8 (of the unknown structure) are obtained for the first time. Borides DyMoB 3 and HoMoB 3 are of the ErMoB 3 structure. Lattice periods of new compounds are indicated. Diffractogrammes of borides Dy 3 MoB 7 and DyMoB 3 are calculated. A peculiarity of components interaction in the systems rare-earth metal-molybdenum-boron is considered
Phase equilibria in the iron oxide-cobalt oxide-phosphorus oxide system
De Guire, Mark R.; Prasanna, T. R. S.; Kalonji, Gretchen; O'Handley, Robert C.
1987-01-01
Two novel ternary compounds are noted in the present study of 1000 C solid-state equilibria in the Fe-Co-P-O system's Fe2O3-FePO4-Co3(Po4)2-CoO region: CoFe(PO4)O, which undergoes incongruent melting at 1130 C, and Co3Fe4(PO4)6, whose incongruent melting occurs at 1080 C. The liquidus behavior-related consequences of rapidly solidified cobalt ferrite formation from cobalt ferrite-phosphate melts are discussed with a view to spinel formation. It is suggested that quenching from within the spinel-plus-liquid region may furnish an alternative to quenching a homogeneous melt.
α-NiPt(Al) and phase equilibria in the Ni-Al-Pt system at 1150 deg C
International Nuclear Information System (INIS)
Hayashi, S.; Ford, S.I.; Young, D.J.; Sordelet, D.J.; Besser, M.F.; Gleeson, B.
2005-01-01
The α-NiPt(Al) phase and its associated equilibria in the Ni-Al-Pt system at 1150 deg C were investigated by analyzing equilibrated bulk alloys and the interdiffusion zones of diffusion couples. Phase constitutions, tie-lines and microstructures were determined using a combination of techniques, including high-energy synchrotron X-ray diffraction, scanning electron microscopy and electron probe microanalysis. A large Pt solubility limit was found to exist in the β-NiAl, ∼42 at.%, and in γ'-Ni 3 Al, ∼32 at.%. The α-NiPt(Al) phase was found to have wide Pt solubility range of about 33-60 at.% and to skew along an almost constant Pt/Al ratio of 1.5. The α-NiPt(Al) has an ordered face-centered tetragonal L1 0 crystal structure, with the Al and Pt atoms found to be preferentially located in the corners and prismatic faces, respectively. The temperature dependence of the lattice parameters and unit cell volume of the α phase were also determined
International Nuclear Information System (INIS)
Phan, Anh Thu; Paek, Min-Kyu; Kang, Youn-Bae
2014-01-01
In order to provide an efficient tool to design alloy chemistry and processing conditions for high-strength, lightweight steel, an investigation of the Fe–Al–C ternary system was carried out by experimental phase diagram measurement and a CALPHAD thermodynamic analysis. Discrepancies between previously available experimental results and thermodynamic calculations were identified. The Fe–Al sub-binary system was re-optimized in order to obtain an accurate description of the liquid phase, while Gibbs energies of solid phases were mainly taken from a previous thermodynamic modeling. Phase equilibria among face-centered cubic (fcc)/body-centered cubic (bcc)/graphite/κ-carbide/liquid phases in the Fe–Al–C system in the temperature range from 1000 to 1400 °C were obtained by chemical equilibration followed by quenching, and subsequent composition analysis using electron probe microanalysis/inductively coupled plasma spectroscopy. By merging the revised Fe–Al binary description with existing Fe–C and Al–C binary descriptions, a complete thermodynamic description of the Fe–Al–C system was obtained in the present study. The modified quasi-chemical model in the pair approximation was used to model the liquid phase, while solid solutions were modeled using compound energy formalism. A2/B2 order/disorder transition in the bcc phase was taken into account. Compared with previously known experiments/thermodynamic modeling, a better agreement was obtained in the present study, regarding the stable region of fcc and the solidification thermal peak of a ternary alloy near the liquidus temperature. The obtained thermodynamic description also reproduced various types of experimental data in the Fe–Al–C system such as isothermal sections, vertical sections, liquidus projection, etc. The solidification of various steel grades was predicted and discussed
Directory of Open Access Journals (Sweden)
Richard M. Palin
2016-07-01
Full Text Available Pseudosection modelling is rapidly becoming an essential part of a petrologist's toolkit and often forms the basis of interpreting the tectonothermal evolution of a rock sample, outcrop, or geological region. Of the several factors that can affect the accuracy and precision of such calculated phase diagrams, “geological” uncertainty related to natural petrographic variation at the hand sample- and/or thin section-scale is rarely considered. Such uncertainty influences the sample's bulk composition, which is the primary control on its equilibrium phase relationships and thus the interpreted pressure–temperature (P–T conditions of formation. Two case study examples—a garnet–cordierite granofels and a garnet–staurolite–kyanite schist—are used to compare the relative importance that geological uncertainty has on bulk compositions determined via (1 X-ray fluorescence (XRF or (2 point counting techniques. We show that only minor mineralogical variation at the thin-section scale propagates through the phase equilibria modelling procedure and affects the absolute P–T conditions at which key assemblages are stable. Absolute displacements of equilibria can approach ±1 kbar for only a moderate degree of modal proportion uncertainty, thus being essentially similar to the magnitudes reported for analytical uncertainties in conventional thermobarometry. Bulk compositions determined from multiple thin sections of a heterogeneous garnet–staurolite–kyanite schist show a wide range in major-element oxides, owing to notable variation in mineral proportions. Pseudosections constructed for individual point count-derived bulks accurately reproduce this variability on a case-by-case basis, though averaged proportions do not correlate with those calculated at equivalent peak P–T conditions for a whole-rock XRF-derived bulk composition. The main discrepancies relate to varying proportions of matrix phases (primarily mica relative to
Thermodynamic calculation of Al-Gd and Al-Gd-Mg phase equilibria checked by key experiments
International Nuclear Information System (INIS)
Groebner, J.; Kevorkov, D.; Schmid-Fetzer, R.
2001-01-01
The binary Al-Gd and the ternary Al-Gd-Mg systems were calculated using the Calphad method. It is demonstrated that previous interpretation of ternary liquidus temperatures below 700 C must be related to other phase equilibria. The actual ternary liquidus temperatures are much higher, up to some 600 C above the previous interpretation in literature. They are widely governed by the high-melting compounds Al 2 Gd and Al 3 Gd with liquidus surfaces stretching far into the ternary system. A small number of key experiments in this work confirmed the calculated liquidus temperature and the phase relations. The available experimental data in literature fit excellently with the calculation in the binary Al-Gd system. In the ternary Al-Gd-Mg system, which is shown in several sections of the phase diagram, a good agreement can be observed too, considering the necessary reinterpretation of the liquidus temperatures suggested by Rokhlin et al. Ternary solubilities were not found experimentally. The ternary compound Al 4 GdMg (τ) forms in a ternary peritectic reaction at 761 C. (orig.)
Pettersson, Niklas; Wessman, Sten; Hertzman, Staffan; Studer, Andrew
2017-04-01
Duplex stainless steels are designed to solidify with ferrite as the parent phase, with subsequent austenite formation occurring in the solid state, implying that, thermodynamically, a fully ferritic range should exist at high temperatures. However, computational thermodynamic tools appear currently to overestimate the austenite stability of these systems, and contradictory data exist in the literature. In the present work, the high-temperature phase equilibria of four commercial duplex stainless steel grades, denoted 2304, 2101, 2507, and 3207, with varying alloying levels were assessed by measurements of the austenite-to-ferrite transformation at temperatures approaching 1673 K (1400 °C) using a novel in-situ neutron scattering approach. All grades became fully ferritic at some point during progressive heating. Higher austenite dissolution temperatures were measured for the higher alloyed grades, and for 3207, the temperature range for a single-phase ferritic structure approached zero. The influence of temperatures in the region of austenite dissolution was further evaluated by microstructural characterization using electron backscattered diffraction of isothermally heat-treated and quenched samples. The new experimental data are compared to thermodynamic calculations, and the precision of databases is discussed.
Michalis, Vasileios K; Tsimpanogiannis, Ioannis N; Stubos, Athanassios K; Economou, Ioannis G
2016-09-14
Molecular dynamics simulation is used to predict the phase equilibrium conditions of a ternary hydrate system. In particular, the direct phase coexistence methodology is implemented for the determination of the three-phase coexistence temperature of the methane-carbon dioxide-water hydrate system at elevated pressures. The TIP4P/ice, TraPPE-UA and OPLS-UA forcefields for water, carbon dioxide and methane respectively are used, in line with our previous studies of the phase equilibria of the corresponding binary hydrate systems. The solubility in the aqueous phase of the guest molecules of the respective binary and ternary systems is examined under hydrate-forming conditions, providing insight into the predictive capability of the methodology as well as the combination of these forcefields to accurately describe the phase behavior of the ternary system. The three-phase coexistence temperature is calculated at 400, 1000 and 2000 bar for two compositions of the methane-carbon dioxide mixture. The predicted values are compared with available calculations with satisfactory agreement. An estimation is also provided for the fraction of the guest molecules in the mixed hydrate phase under the conditions examined.
International Nuclear Information System (INIS)
Domanska, Urszula; Marciniak, Malgorzata
2007-01-01
(Solid + liquid) phase diagrams have been determined for (hexylamine, or octylamine, or 1,3-diaminopropane + acetonitrile) mixtures. Simple eutectic systems have been observed in these mixtures. (Liquid + liquid) phase diagrams have been determined for (octylamine, or decylamine + propanenitrile, or + butanenitrile) mixtures. Mixtures with propanenitrile and butanenitrile show immiscibility in the liquid phase with an upper critical solution temperature, UCST. (Solid + liquid) phase diagrams have been correlated using NRTL, NRTL 1, Wilson and UNIQUAC equations. (Liquid + liquid) phase diagrams have been correlated using NRTL equation
International Nuclear Information System (INIS)
Dutrow, Barbara
2008-01-01
Our research evaluates the hypothesis that feedback amongst thermal-chemical-mechanical processes operative in fluid-rock systems alters the fluid flow dynamics of the system which, in turn, affects chemical transport and temporal and spatial scales of equilibria, thus impacting the resultant mineral textural development of rocks. Our methods include computational experimentation and detailed analyses of fluid-infiltrated rocks from well-characterized terranes. This work focuses on metamorphic rocks and hydrothermal systems where minerals and their textures are utilized to evaluate pressure (P), temperature (T), and time (t) paths in the evolution of mountain belts and ore deposits, and to interpret tectonic events and the timing of these events. Our work on coupled processes also extends to other areas where subsurface flow and transport in porous media have consequences such as oil and gas movement, geothermal system development, transport of contaminants, nuclear waste disposal, and other systems rich in fluid-rock reactions. Fluid-rock systems are widespread in the geologic record. Correctly deciphering the products resulting from such systems is important to interpreting a number of geologic phenomena. These systems are characterized by complex interactions involving time-dependent, non-linear processes in heterogeneous materials. While many of these interactions have been studied in isolation, they are more appropriately analyzed in the context of a system with feedback. When one process impacts another process, time and space scales as well as the overall outcome of the interaction can be dramatically altered. Our goals to test this hypothesis are: to develop and incorporate algorithms into our 3D heat and mass transport code to allow the effects of feedback to be investigated numerically, to analyze fluid infiltrated rocks from a variety of terranes at differing P-T conditions, to identify subtle features of the infiltration of fluids and/or feedback, and
Experimental study on the phase equilibria of the Ag-Ti system
International Nuclear Information System (INIS)
Fu Xiaoliang; Li Changrong; Wang Fuming; Li Mei; Zhang Weijing
2005-01-01
The Ag-Ti diffusion couples were prepared by small pure silver plates closely packed in pure titanium powder, sealed in quartz tube, and annealed at 750 deg. C, 980 deg. C, 1100 deg. C and 1200 deg. C, respectively. The phase equilibrium relationship and the conjugate phase compositions in the Ag-Ti system were determined by means of the metallographic microscope and the electron probe microanalysis. Partial liquidus and solidus for the two-phase equilibrium, liquid + (βTi), were obtained. The narrow solution range for the intermediate phase (TiAg) was determined
International Nuclear Information System (INIS)
Fitzner, K.; Musbah, O.; Hsieh Kerchang; Zhang Minxian; Chang, Y.A.
1993-01-01
The equilibrium oxygen potentials of four-phase equilibria (counting only the condensed phases) in the CuO-Cu 2 O-BaCuO 2 -Y 2 BaCuO 5 (211)-YBa 2 Cu 3 O 7-x (123) phase region were determined using the following solid-oxide electrolyte e.m.f. cell: Pt10Rh, air (psub(O 2 )=0.21 atm) vertical stroke ZrO 2 +Y 2 O 3 vertical stroke mixtures of oxides, Pt. The oxide mixtures whose oxygen potentials were measured were CuO-Cu 2 O-211-123, CuO-Cu 2 O-BaCuO 2 -123, Cu 2 O-BaCuO 2 -211-123 and CuO-BaCuO 2 -211-123. The phase in some of the mixtures were identified by X-ray diffraction. These data were analyzed and are presented using stability diagrams, i.e., oxygen potential as a function of the reciprocal of the temperature. Extrapolation of these data for the four four-phase equilibra to high temperatures yields a metastable five-phase equilibrium, i.e., 123=CuO+Cu 2 O+BaCuO 2 +211, at ∼1243 K (970 ) and log psub(O 2 ) ∼ -1.21 (psub(O 2 )∼0.062 atm). (orig.)
DEFF Research Database (Denmark)
Bjørner, Martin Gamel; Kontogeorgis, Georgios
2016-01-01
In this work, a quadrupolar cubic plus association (qCPA) equation of state is evaluated for its ability to predict the phase equilibria of multicomponent mixtures containing CO2 and alkanes, alcohols, and/or water. A single binary interaction parameter is employed in qCPA for all binary combinat...... CPA yields the best results of all the models for the prediction of dew point pressures....
Margon, V.; Agarwal, U.S.; Peters, C.J.; Wit, de G.; Bailly, C.M.E.; Kasteren, van J.M.N.; Lemstra, P.J.
2005-01-01
Vapor–liquid phase equilibrium is studied for the systems composed of phenol, diphenyl carbonate (DPC), bisphenol A (BPA) and CO2. Bubble point pressures and vapor-phase compositions are measured at various temperatures (343.15–473.15 K) for several compositions of the following systems: two binary
Gusev, Aleksandr I.
2000-01-01
Data on order-disorder phase transformations in strongly nonstoichiometric carbides and nitrides MXy (X=C, N) of Group IV and V transition metals at temperatures below 1300-1400 K are reviewed. The order-parameter functional method as applied to atomic and vacancy ordering in strongly nonstoichiometric MXy compounds and to phase equilibrium calculations for M-X systems is discussed. Phase diagram calculations for the Ti-C, Zr-C, Hf-C, V-C, Nb-C, Ta-C, Ti-N, and Ti-B-C systems (with the inclusion of the ordering of nonstoichiometric carbides and nitrides) and those for pseudobinary carbide M(1)C-M(2)C systems are presented. Heat capacity, electrical resistivity and magnetic susceptibility changes at reversible order-disorder phase transformations in nonstoichiometric carbides are considered.
Bratberg, Johan
2005-01-01
The recent development of tool steels and high-speed steels has led to a significant increase in alloy additions, such as Co, Cr, Mo, N, V, and W. Knowledge about the phase relations in these multicomponent alloys, that is, the relative stability between different carbides or the solubility of different elements in the carbides and in the matrix phase, is essential for understanding the behaviour of these alloys in heat treatments. This information is also the basis for improving the properti...
Phase coexistence properties of polarizable Stockmayer fluids
International Nuclear Information System (INIS)
Kiyohara, K.; Gubbins, K.E.; Panagiotopoulos, A.Z.
1997-01-01
We report the phase coexistence properties of polarizable Stockmayer fluids of reduced permanent dipoles |m 0 * |= 1.0 and 2.0 and reduced polarizabilities α * = 0.00, 0.03, and 0.06, calculated by a series of grand canonical Monte Carlo simulations with the histogram reweighting method. In the histogram reweighting method, the distributions of density and energy calculated in Grand Canonical Monte Carlo simulations are stored in histograms and analyzed to construct the grand canonical partition function of the system. All thermodynamic properties are calculated from the grand partition function. The results are compared with Wertheim close-quote s renormalization perturbation theory. Deviations between theory and simulation results for the coexistence envelope are near 2% for the lower dipole moment and 10% for the higher dipole moment we studied. copyright 1997 American Institute of Physics
Phase transitions of fluids in heterogeneous pores
Directory of Open Access Journals (Sweden)
A. Malijevský
2016-03-01
Full Text Available We study phase behaviour of a model fluid confined between two unlike parallel walls in the presence of long range (dispersion forces. Predictions obtained from macroscopic (geometric and mesoscopic arguments are compared with numerical solutions of a non-local density functional theory. Two capillary models are considered. For a capillary comprising two (differently adsorbing walls we show that simple geometric arguments lead to the generalized Kelvin equation locating very accurately capillary condensation, provided both walls are only partially wet. If at least one of the walls is in complete wetting regime, the Kelvin equation should be modified by capturing the effect of thick wetting films by including Derjaguin's correction. Within the second model, we consider a capillary formed of two competing walls, so that one tends to be wet and the other dry. In this case, an interface localized-delocalized transition occurs at bulk two-phase coexistence and a temperature T*(L depending on the pore width L. A mean-field analysis shows that for walls exhibiting first-order wetting transition at a temperature T_{w}, T_{s} > T*(L > T_{w}, where the spinodal temperature Ts can be associated with the prewetting critical temperature, which also determines a critical pore width below which the interface localized-delocalized transition does not occur. If the walls exhibit critical wetting, the transition is shifted below Tw and for a model with the binding potential W(l=A(Tl-2+B(Tl-3+..., where l is the location of the liquid-gas interface, the transition can be characterized by a dimensionless parameter κ=B/(AL, so that the fluid configuration with delocalized interface is stable in the interval between κ=-2/3 and κ ~ -0.23.
Attractive evolutionary equilibria
Joosten, Reinoud A.M.G.; Roorda, Berend
2011-01-01
We present attractiveness, a refinement criterion for evolutionary equilibria. Equilibria surviving this criterion are robust to small perturbations of the underlying payoff system or the dynamics at hand. Furthermore, certain attractive equilibria are equivalent to others for certain evolutionary
Phase Equilibria in the Bi-In-Sn-Zn System. Thermal Analysis vs. Calculations
Directory of Open Access Journals (Sweden)
Dębski A.
2017-12-01
Full Text Available With the use of the differential thermal analysis (DTA, studies of the phase transitions were conducted for 90 of alloys from the quaternary Bi-In-Sn-Zn system and for the constant ratio of Bi:In and Bi:Sn. The studies were conducted for the alloys prepared from the purity metals (Bi, In, Sn, Zn = 99.999 mas. % by way of melting in a graphite crucible in a glove-box filled with Ar, in which the impurities level was less than 0.1 ppm. After melting and thorough mixing, the liquid alloys were poured out into a graphite test mold. The phase transition temperature data obtained from the DTA investigations were next confronted with those determined from the calculations based on the binary and ternary optimized thermodynamic parameters available in the literature. It was found that the experimental and the calculated phase transition temperatures were in good agreement.
Vapor-liquid Phase Equilibria for CO2+Tertpentanol Binary System at Elevated Pressures
Institute of Scientific and Technical Information of China (English)
WANG Lin; LUO Jian-cheng; YANG Hao; CHEN Kai-xun
2011-01-01
Vapor-liquid phase equilibrium data of tertpentanol in carbon dioxide were measured at temperatures of 313.4,323.4,333.5 and 343.5 K and in the pressure range of 4.56-11.44 MPa.The phase equilibium apparatus used in the work was a variable-volume high-pressure cell.The experimental data were reasonably correlated with Peng-Robinson equation of state(PR-EOS) together with van der Waals-2 two-parameter mixing rules.Henry's Law constants and partial molar volumes of CO2 at infinite dilution were estimated with Krichevsky-Kasarnovsky equation,and Henry's Law constants increase with increasing temperature,however,partial molar volumes of CO2 at infinite dilution are negative whose magnitudes decrease with temperature.Partial molar volumes of CO2 and tertpentanol in liquid phase at equilibrium were calculated.
Energy Technology Data Exchange (ETDEWEB)
Wall, T.F.; Gupta, R.P.; Gupta, S. [Univ. of Newcastle, New South Wales (Australia). Dept. of Chemical Engineering; Creelman, R.A. [R.A. Creelman and Associates, Epping, New South Wales (Australia); Coin, C. [ACIRL Ipswich, Booval, Queensland (Australia); Lowe, A. [Pacific Power, Sydney, New South Wales (Australia)
1996-12-31
The well-documented shortcomings of the standard technique for estimating the fusion temperature of coal ash are its subjective nature and poor accuracy. Alternative measurements based on the shrinkage and electrical conductivity of heating samples are therefore examined with laboratory ash prepared at about 800 C in crucibles, as well as combustion ash sampled from power stations. Sensitive shrinkage measurements indicate temperatures of rapid change which correspond to the formation of liquid phases that can be identified on ternary phase diagrams. The existence and extent of formation of these phases, as quantified by the magnitude of peaks in the test, provide alternative ash fusion temperatures. The peaks from laboratory ashes and corresponding combustion ashes derived from the same coals show clear differences which may be related to the evaporation of potassium during combustion and the reactions of the mineral residues to form combustion ash.
International Nuclear Information System (INIS)
Pyartman, A.K.; Kopyrin, A.A.; Puzikov, E.A.
1995-01-01
The distribution of rare earth metals (3) between aqueous and organic phases in the systems rare earth metal (3) (praseodymium-lutetium (3), yttrium (3)) nitrate-ammonium nitrate-water-trialkylmethylammonium (kerosene diluent nitrate has been studied. It is shown that in organic phase di- and trisolvates of metals (3) with tralkylmethylammonium nitrate are formed. The influence of concentration of rare earth metal (3) nitrate and ammonium nitrate on the values of extraction concentrational constants has been ascertained: they decrease with increase in the ordinal number of lanthanide (3). 11 refs., 4 figs. 1 tab
A New Approach to Modeling Densities and Equilibria of Ice and Gas Hydrate Phases
Zyvoloski, G.; Lucia, A.; Lewis, K. C.
2011-12-01
The Gibbs-Helmholtz Constrained (GHC) equation is a new cubic equation of state that was recently derived by Lucia (2010) and Lucia et al. (2011) by constraining the energy parameter in the Soave form of the Redlich-Kwong equation to satisfy the Gibbs-Helmholtz equation. The key attributes of the GHC equation are: 1) It is a multi-scale equation because it uses the internal energy of departure, UD, as a natural bridge between the molecular and bulk phase length scales. 2) It does not require acentric factors, volume translation, regression of parameters to experimental data, binary (kij) interaction parameters, or other forms of empirical correlations. 3) It is a predictive equation of state because it uses a database of values of UD determined from NTP Monte Carlo simulations. 4) It can readily account for differences in molecular size and shape. 5) It has been successfully applied to non-electrolyte mixtures as well as weak and strong aqueous electrolyte mixtures over wide ranges of temperature, pressure and composition to predict liquid density and phase equilibrium with up to four phases. 6) It has been extensively validated with experimental data. 7) The AAD% error between predicted and experimental liquid density is 1% while the AAD% error in phase equilibrium predictions is 2.5%. 8) It has been used successfully within the subsurface flow simulation program FEHM. In this work we describe recent extensions of the multi-scale predictive GHC equation to modeling the phase densities and equilibrium behavior of hexagonal ice and gas hydrates. In particular, we show that radial distribution functions, which can be determined by NTP Monte Carlo simulations, can be used to establish correct standard state fugacities of 1h ice and gas hydrates. From this, it is straightforward to determine both the phase density of ice or gas hydrates as well as any equilibrium involving ice and/or hydrate phases. A number of numerical results for mixtures of N2, O2, CH4, CO2, water
Giussi, Juan M; Gastaca, Belen; Albesa, Alberto; Cortizo, M Susana; Allegretti, Patricia E
2011-02-01
The study of tautomerics equilibria is really important because the reactivity of each compound with tautomeric capacity can be determined from the proportion of each tautomer. In the present work the tautomeric equilibria in some γ,δ-unsaturated β-hydroxynitriles and γ,δ-unsaturated β-ketonitriles were studied. The first family of compounds presents two possible theoretical tautomers, nitrile and ketenimine, while the second one presents four possible theoretical tautomers, keto-nitrile, enol (E and Z)-nitrile and keto-ketenimine. The equilibrium in gas phase was studied by gas chromatography-mass spectrometry (GC-MS). Tautomerization enthalpies were calculated by this methodology, and results were compared with those obtained by density functional theory (DFT) calculations, observing a good agreement between them. Nitrile tautomers were favored within the first family of compounds, while keto-nitrile tautomers were favored in the second family. Copyright Â© 2010 Elsevier B.V. All rights reserved.
DEFF Research Database (Denmark)
Tsivintzelis, Ioannis; Ali, Shahid; Kontogeorgis, Georgios
2014-01-01
density data for both CO2 and CO2–water and for vapor–liquid equilibrium for mixtures of CO2 with various compounds present in transport systems. In all of these cases we consider various possibilities for modeling CO2 (inert, self-associating using two-, three-, and four sites) and the possibility......The CPA (cubic-plus-association) equation of state is applied in this work to a wide range of systems of relevance to CO2 transport. Both phase equilibria and densities over extensive temperature and pressure ranges are considered. More specifically in this study we first evaluate CPA against......” for applying CPA to acid gas mixtures. The overall conclusion is that CPA performs satisfactorily; the model in most cases correlates well binary data and predicts with good accuracy multicomponent vapor–liquid equilibria. Among the various approaches investigated, the best ones are when cross association...
Transport and Phase Equilibria Properties for Steam Flooding of Heavy Oils
Energy Technology Data Exchange (ETDEWEB)
Gabitto, Jorge; Barrufet, Maria
2002-11-20
The objectives of this research included experimental determination and rigorous modeling and computation of phase equilibrium diagrams, volumetric, and transport properties of hydrocarbon/CO2/water mixtures at pressures and temperatures typical of steam injection processes for thermal recovery of heavy oils.
Thermal analysis and prediction of phase equilibria in ternary Pb-Zn-Ag System
Czech Academy of Sciences Publication Activity Database
Živković, D.; Minić, D.; Manasijević, D.; Šesták, Jaroslav; Živković, Ž.
2011-01-01
Roč. 47, č. 1 (2011), 23-30 ISSN 1450-5339 Institutional research plan: CEZ:AV0Z10100521 Keywords : Pb-Zn-Ag system * thermal analysis * phase equilibrium Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 1.317, year: 2011
Microstructure and phase equilibria in the Ni-Al-W system
Czech Academy of Sciences Publication Activity Database
Popovič, J.; Brož, P.; Buršík, Jiří
2008-01-01
Roč. 16, č. 7 (2008), s. 884-888 ISSN 0966-9795 R&D Projects: GA ČR(CZ) GA106/07/1078 Institutional research plan: CEZ:AV0Z20410507 Keywords : nickel aluminides * heat treatment * phase diagram Subject RIV: BJ - Thermodynamics Impact factor: 2.034, year: 2008
Phase equilibria in the ternary In–Ni–Sn system at 700 °C
Czech Academy of Sciences Publication Activity Database
Schmetterer, C.; Zemanová, Adéla; Flandorfer, H.; Kroupa, Aleš; Ipser, H.
2013-01-01
Roč. 35, APR (2013), s. 90-97 ISSN 0966-9795 R&D Projects: GA MŠk(CZ) OC08053 Institutional support: RVO:68081723 Keywords : intermatallics * miscellaneous * phase diagrams Subject RIV: BJ - Thermodynamics Impact factor: 2.119, year: 2013
The phase equilibria in the Ti-Cu-Y ternary system at 773 K
Energy Technology Data Exchange (ETDEWEB)
Hu Zhaohua [Key Laboratory of Nonferrous Metal Materials and New Processing Technology, Ministry of Education, Guangxi University, Nanning, Guangxi 530004 (China); Zhan Yongzhong, E-mail: zyzmatres@yahoo.com.c [Key Laboratory of Nonferrous Metal Materials and New Processing Technology, Ministry of Education, Guangxi University, Nanning, Guangxi 530004 (China); She Jia; Zhang Guanghua; Peng Dan [Key Laboratory of Nonferrous Metal Materials and New Processing Technology, Ministry of Education, Guangxi University, Nanning, Guangxi 530004 (China)
2009-10-19
Physical-chemical analysis apparatuses, including X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and differential thermal analysis (DTA) were employed in constructing the isothermal section of the Ti-Cu-Y system at 773 K. The existences of 10 binary compounds, Ti{sub 2}Cu, TiCu, Ti{sub 3}Cu{sub 4}, Ti{sub 2}Cu{sub 3}, TiCu{sub 4}, Cu{sub 6}Y, Cu{sub 4}Y, Cu{sub 7}Y{sub 2}, Cu{sub 2}Y and CuY were confirmed. The isothermal section consists of 13 single-phase regions, 23 binary phase regions and 11 ternary phase regions. No ternary compound is found in this work. Except the binary compounds YCu{sub 6} and TiCu{sub 4} show homogeneity regions less than 1.5 at.%, none of the other phases in this system reveals a remarkable homogeneity range at 773 K.
Theory of phase equilibria and critical mixing points in binary lipid bilayers
DEFF Research Database (Denmark)
Risbo, Jens; Sperotto, Maria Maddalena; Mouritsen, Ole G.
1995-01-01
the transition is discussed in terms of the molecular properties of the lipid acyl chains. The results of the numerical model study are expected to have consequences for the interpretation of experimental measurements on lipid bilayer systems in terms of phase diagrams. (C) 1995 American Institute of Physics....
Czech Academy of Sciences Publication Activity Database
Vřešťál, J.; Kroupa, Aleš; Šob, Mojmír
2006-01-01
Roč. 38, č. 11 (2006), s. 298-302 ISSN 0927-0256 R&D Projects: GA ČR(CZ) GA106/03/1354; GA AV ČR(CZ) IBS2041105 Institutional research plan: CEZ:AV0Z20410507 Keywords : electronic structure * Phase diagrams * Steel Subject RIV: BJ - Thermodynamics Impact factor: 1.104, year: 2006
Synthetic methods in phase equilibria: A new apparatus and error analysis of the method
DEFF Research Database (Denmark)
Fonseca, José; von Solms, Nicolas
2014-01-01
of the equipment was confirmed through several tests, including measurements along the three phase co-existence line for the system ethane + methanol, the study of the solubility of methane in water, and of carbon dioxide in water. An analysis regarding the application of the synthetic isothermal method...
The system Ta-V-Si: Crystal structure and phase equilibria
Czech Academy of Sciences Publication Activity Database
Khan, A.U.; Brož, P.; Niu, H.Y.; Buršík, Jiří; Grytsiv, A.; Chen, X.-Q.; Giester, G.; Rogl, P.
2012-01-01
Roč. 187, - (2012), s. 114-123 ISSN 0022-4596 R&D Projects: GA MŠk(CZ) ED1.1.00/02.0068 Institutional research plan: CEZ:AV0Z20410507 Keywords : ternary alloy system * microstructure * phase diagram Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 2.040, year: 2012
International Nuclear Information System (INIS)
Xu, Shurui; Fan, Shuanshi; Yao, Haiyuan; Wang, Yanhong; Lang, Xuemei; Lv, Pingping; Fang, Songtian
2017-01-01
Highlights: • The equilibrium data in THI solution based formation water is first investigated. • The 0.55 mass fraction concentration of EG 0.55 mass fraction fills the vacancy of this area. • The testing pressure range from 4.22 MPa to 34.72 MPa was rare in published data. - Abstract: In this paper, the three-phase coexistence points are generated for multicomponent gas hydrate in methanol (MeOH) solution for (0.05, 0.10, 0.15, and 0.35) mass fraction and ethylene glycol (EG) solution for (0.05, 0.10, 0.15, 0.35, 0.40 and 0.55) mass fraction. The phase equilibrium curves of different system were obtained by an isochoric pressure-search method on high pressure apparatus. The phase equilibrium regions of multicomponent gas hydrate were measured using the same composition of natural gas distributed in the South China Sea. And the different concentration solutions were prepared based formation water. The experimental data were measured in a wide range temperature from 267.74 to 298.53 K and a wide range pressure from 4.22 MPa to 34.72 MPa. The results showed that the hydrate phase equilibrium curves shifted to the inhibition region in accordance with the increased inhibitor concentration. In addition, the equilibrium temperature would decrease about 2.7 K when the concentration of MeOH increased 0.05 mass fraction. Besides, the suppression temperature was 1.25 K with the 0.05 mass fraction increase of EG concentration in the range of 0.05 mass fraction to 0.15 mass fraction. While in high EG concentration region, the suppression temperature was 3.3 K with the same increase of EG concentration (0.05 mass fraction).
International Nuclear Information System (INIS)
Jiang, Min; Su, Xiulan; Li, Hongxiao; Ren, Yuping; Qin, Gaowu
2014-01-01
Highlights: • 14H LPSO structure has been confirmed to be stable in the Mg–Cu–Y system. • Partial isothermal sections of the Mg–Cu–Y system from 300 to 450 °C have been established. • Reaction L + α-Mg ↔ 14H + Mg 2 Cu has been determined in the Mg–Cu–Y system. • The thermal stability of the 14H phase in the Mg–Cu–Y system has been well studied. - Abstract: Phase equilibria in the Mg-rich Mg–Cu–Y system at 300, 400 and 450 °C have been experimentally investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), differential scanning calorimetry (DSC), electron probe micro-analyzer (EPMA) and transmission electron microscope (TEM). The results show that a long-period stacking ordered (LPSO) phase 14H is stable in the Mg–Cu–Y system, which is the only one ternary intermetallic compound that gets a thermodynamic equilibrium with the a-Mg phase. The equilibrium 14H phase has a very limited solid solution range, and can be nearly regarded as a ternary stoichiometric compound with a formulae as Mg 91 Cu 4 Y 5 . The thermal stability of the 14H phase in the Mg–Cu–Y system has been well studied, which shows that the 14H phase disappears varying from 442 °C to 490 °C depending on the alloy composition. The isothermal sections of the Mg-rich Mg–Cu–Y system at 300, 400 and 450 °C have been finally established, and moreover, a quasi-peritectic reaction L + α-Mg ↔ 14H + Mg 2 Cu has been determined occurring at 442 °C with an estimated liquid composition of Mg 77 Cu 18 Y 5
Phase Equilibria and Ionic Solvation in the Lithium Tetrafluoroborate-Dimethylsulfoxide System
Gafurov, M. M.; Kirillov, S. A.; Gorobets, M. I.; Rabadanov, K. Sh.; Ataev, M. B.; Tretyakov, D. O.; Aydemirov, K. M.
2015-01-01
The phase diagram and electrical conductivity isotherms for the lithium tetrafluoroborate (LiBF4)-dimethylsulfoxide (DMSO) system and Raman spectra of DMSO and the LiBF4-DMSO solution were studied. Spectroscopic signatures of a H-bond between DMSO and BF4 - ions were found. The bonds of Li+ ions to the solvent were stronger than the bonds in DMSO dimers because formation of the solvate destroyed dimeric DMSO molecules. The τω values for DMSO molecules in the Li+-ion solvate shell of the LiBF4-DMSO system were similar to those for associated solvent molecules.
Phase equilibria in a system of aqueous arginine with an octane solution of sulfonic acid
Kuvaeva, Z. I.; Koval'chuk, I. V.; Vodop'yanova, L. A.; Soldatov, V. S.
2013-05-01
The extraction of arginine (Arg) from aqueous salt (0.1 M NaCl) solutions with a sulfo extractant in a wide range of pH values and amino acid concentrations was studied. The 0.1 M solution of dinonylnaphthalenesulfonic acid (HD) in octane was used as an extractant. The degree of extraction was found to be high at pH 0.8-9.0. This can be explained by the effect of additional intermolecular interactions in the extractant phase involving the guanidine group of Arg.
Phase equilibria in the system Nd(PO3)3 - KPO3
International Nuclear Information System (INIS)
Znamierowska, T.; Mizer, D.
2002-01-01
The system Nd(PO 3 ) 3 - KPO 3 has been investigated by differential thermal analysis (during heating), thermogravimetric analysis, mass spectrometry, Raman spectroscopy and X-ray powder diffraction and its phase diagram was proposed. It was discovered that initial metaphosphates react at a 1:1 molar ratio forming intermediate compound KNd(PO 3 ) 4 . It was found that it melts incongruently at 854 o C giving Nd(po)3) 3 and a liquid rich in KPO 3 . Phosphate KNd(PO 3 ) 4 is stable down to room temperature and does not show any polymorphic transitions. (author)
Calculation of phase equilibria in the Na2SO4-K2SO4-Cs2SO4-H2O system at 25 deg C
International Nuclear Information System (INIS)
Filippov, V.K.; Kalinkin, A.M.; Vasin, S.K.
1990-01-01
Calculation results of solubility diagram and water activity in saturated solutions of Na 2 SO 4 -K 2 SO 4 -Cs 2 SO 4 -H 2 O system at 25 deg C are presented. It is shown that for the calculation of quaternary systems one can use the Pitzer equations. Solubility diagram for the system studied is plotted and data on composition and water activity of solutions saturated by two or three solid phases are given. Classification of nonvariant equilibria from the viewpoint of isomorphism of solubility and fusibility diagrams permits to depict the direction of phase processes during isothermal evaporation of water
Phase equilibria in the system As2-O5 - SrO
International Nuclear Information System (INIS)
Kasenov, B.K.; Ashlyaeva, I.V.
1993-01-01
T-x phase state diagram of As 2 O 5 -SrO system was investigated by the methods of physicochemical analysis. It was established that incongruently melting Sr(AsO 3 ) 2 (t mel 900 deg C), Sr 2 As 2 O 4 (t mel = 1140 deg C), Sr 4 As 2 O 9 (t mel = 1390 deg C) and congruently melting at 1635 deg C Sr 3 (AsO 4 ) 2 formed in the system. Eutectic points were revealed in the system: As 2 O 5 -Sr(AsO 3 ) 2 (15.0 mol % SrO, 700 deg C) and Sr 3 (AsO 4 ) 2 -Sr 4 As 2 O 9 (78 mol % SrO, 1370 deg C)
Phase equilibria in the system Li2O - MoO3 - Sc2O3
International Nuclear Information System (INIS)
Safonov, V.V.; Chaban, N.G.; Porotnikov, N.V.
1984-01-01
Using the methods of DTA and X-ray phase analysis, interaction of components in the system Li 2 O-MoO 3 -Sc 2 O 3 in concentration range, adjacent to the vertex of MoO 3 , has been studied. Projection of the Li 2 MoO 4 -MoO 3 -Sc 2 (MoO 4 ) 3 system liquidus on concentrational triangle of the compositions Li 2 O-MoO 3 -Sc 2 O 3 , which consists of the fields of primary separation of Li 2 MoO 4 , Li 2 Mo 5 O 17 , Li 2 Mo 4 O 13 , MoO 3 , Sc 2 (MoO 4 ) 3 , Li 3 Sc(MoO 4 ) 3 and LiSc(MoO 4 ) 2 , is built
Bohnenstiehl, Scot David
In this work, the low temperature synthesis of MgB2 from Mg/B and MgH2/B powder mixtures was studied using Differential Scanning Calorimetry (DSC). For the Mg/B powder mixture, two exothermic reaction events were observed and the first reaction event was initiated by the decomposition of Mg(OH)2 on the surface of the magnesium powder. For the MgH 2/B powder mixture, there was an endothermic event at ˜375 °C (the decomposition of MgH2 into H2 and Mg) and an exothermic event ˜600 °C (the reaction of Mg and B). The Kissinger analysis method was used to estimate the apparent activation energy of the Mg and B reaction using DSC data with different furnace ramp rates. The limitations of MgB2 low temperature synthesis led to the development of a high pressure induction furnace that was constructed using a pressure vessel and an induction heating power supply. The purpose was to not only synthesize more homogeneous MgB2 samples, but also to determine whether MgB2 melts congruently or incongruently. A custom implementation of the Smith Thermal Analysis method was developed and tested on aluminum and AlB2, the closest analogue to MgB2. Measurements on MgB2 powder and a high purity Mg/B elemental mixture confirmed that MgB2 melts incongruently and decomposes into a liquid and MgB4 at ˜1445 °C at 10 MPa via peritectic decomposition. Another measurement using a Mg/B elemental mixture with impure boron suggested that ˜0.7 wt% carbon impurity in the boron raised the incongruent melting temperature to ˜1490-1500 °C. Lastly, the solubility limit for carbon in MgB2 was studied by making samples from B4C and Mg at 1530 °C, 1600 °C and 1700 °C in the high pressure furnace. All three samples had three phases: Mg, MgB2C2, and carbon doped MgB2. The MgB 2C2 and carbon doped MgB2 grain size increased with temperature and the 1700 °C sample had needle-like grains for both phases. The presence of the ternary phase, MgB2C2, suggested that the maximum doping limit for carbon in
Kou, Jisheng
2017-09-30
Capillary pressure can significantly affect the phase properties and flow of liquid-gas fluids in porous media, and thus, the phase equilibrium calculation incorporating capillary pressure is crucial to simulate such problems accurately. Recently, the phase equilibrium calculation at specified moles, volume and temperature (NVT-flash) becomes an attractive issue. In this paper, capillarity is incorporated into the phase equilibrium calculation at specified moles, volume and temperature. A dynamical model for such problem is developed for the first time by using the laws of thermodynamics and Onsager\\'s reciprocal principle. This model consists of the evolutionary equations for moles and volume, and it can characterize the evolutionary process from a non-equilibrium state to an equilibrium state in the presence of capillarity effect at specified moles, volume and temperature. The phase equilibrium equations are naturally derived. To simulate the proposed dynamical model efficiently, we adopt the convex-concave splitting of the total Helmholtz energy, and propose a thermodynamically stable numerical algorithm, which is proved to preserve the second law of thermodynamics at the discrete level. Using the thermodynamical relations, we derive a phase stability condition with capillarity effect at specified moles, volume and temperature. Moreover, we propose a stable numerical algorithm for the phase stability testing, which can provide the feasible initial conditions. The performance of the proposed methods in predicting phase properties under capillarity effect is demonstrated on various cases of pure substance and mixture systems.
International Nuclear Information System (INIS)
Togo, Masaki; Inamori, Yoshiki; Shimoyama, Yusuke
2012-01-01
Highlights: ► Mixtures of (water + 1-methylnaphthalene + light aromatic hydrocarbon) are focused. ► Phase transition pressures on (liquid + liquid) equilibria were measured. ► Effects of aromatic hydrocarbons on phase transition pressure are investigated. ► Phase transition pressures are discussed using dielectric constants of hydrocarbons. - Abstract: Phase transitions for (water + 1-methylnaphthalene + light aromatic hydrocarbon) ternary systems are observed at their (liquid + liquid) equilibria at T = (563, 573, and 583) K and (8.6 to 25.0) MPa. The phase transition pressures at T = (563, 573, and 583) K were measured for the five species of light aromatic hydrocarbons, o-, m-, p-xylenes, ethylbenzene, and mesitylene. The measurements of the phase transition pressures were carried out by changing the feed mole fraction of water and 1-methylnaphthalene in water free, respectively. Effects of the feed mole fraction of water on the phase transition pressures are very small. Increasing the feed mole fraction of 1-methylnaphthalene results in decreasing the phase transition pressures at constant temperature. The slopes depending on the feed mole fraction for 1-methylnaphthalene at the phase transition pressures are decreased with increasing temperature for (water + 1-methylnaphthalene + p-xylene), (water + 1-methylnaphthalene + o-xylene), and (water + 1-methylnaphthalene + mesitylene) systems. For xylene isomers, the highest and lowest of the phase transition pressures are obtained in the case of p- and o-xylenes, respectively. The phase transition pressures for ethylbenzene are lower than those in the case of p-xylene. The similar phase transition pressures are given for p-xylene and mesitylene.
Phase Equilibria of a S- and C-Poor Lunar Core
Righter, K.; Pando, K.; Go, B. M.; Danielson, L. R.; Habermann, M.
2016-01-01
The composition of the lunar core can have a large impact on its thermal evolution, possible early dynamo creation, and physical state. Geochemical measurements have placed better constraints on the S and C content of the lunar mantle. In this study we have carried out phase equilibrium studies of geochemically plausible S- and C-poor lunar core compositions in the Fe-Ni-S-C system, and apply them to the early history of the Moon. We chose two bulk core compositions, with differing S and C content based on geochemical analyses of S and C trapped melts in Apollo samples, and on the partitioning of S and C between metal and silicate. This approach allowed calculation of core S and C contents - 90% Fe, 9% Ni, 0.5% C, and 0.375% S by weight; a second composition contained 1% each of S and C. Experiments were carried out from 1473K to 1973K and 1 GPa to 5 GPa, in piston cylinder and multi- anvil apparatuses. Combination of the thermal model of with our results, shows that a solid inner core (and therefore initiation of a dynamo) may have been possible in the earliest history of the Moon (approximately 4.2 Ga ago), in agreement with. Thus a volatile poor lunar core may explain the thermal and magnetic history of the Moon.
International Nuclear Information System (INIS)
Newkirk, H.; Ryerson, F.; Coles, D.; Hoenig, C.; Rozsa, R.; Rossington, C.; Bazan, F.; Tewhey, J.
1980-01-01
The assemblage of coexisting phases in SYNROC D is perovskite, zirconolite, nepheline and spinel. Cesium from the supernate is to be immobilized in hollandite. In the current processing scheme, presynthesized granules of hollandite are added to calcined SYNROC D powders prior to hot procesing or sintering. The disposition of inert and radwaste components of Savannah River Plant (SRP) wastes in SYNROC D formulations has been determined by means of optical microscopy, XRD, XRF, SEM, STEM, electron microprobe analysis and autoradiography. A summary of results is presented. Leaching studies of SYNROC D have been done by means of static, high temperature experiments and continuous-flow experiments. The data reported are from high-temperature experiments (distilled water, powdered sample, 150 0 C, one day). The elements reported are the only ones observed in the leachate. Analysis was done by means of XRF. The flowsheet which depicts the current experimental methods that are being employed at LLNL to produce SYNROC D samples containing presynthesized Cs-bearing hollandite is presented. The starting material for SYNROC D (high Fe, high Al and composite compositions) is simulated sludge obtained in 55 gallon quantities from Southwestern Chemical Corporation. Hot pressing temperatures for SYNROC D are 1000 to 1150 0 C. Hot pressing temperatures for hollandite are 1200 to 1400 0 C
Energy Technology Data Exchange (ETDEWEB)
Zeiringer, I.; Chen Mingxing [Institute of Physical Chemistry, University of Vienna, Waehringerstr. 42, 1090 Wien (Austria); Bednar, I.; Royanian, E.; Bauer, E. [Institute of Solid State Physics, Vienna University of Technology, Wiedner Hauptstr. 8-10, 1040 Wien (Austria); Podloucky, R.; Grytsiv, A. [Institute of Physical Chemistry, University of Vienna, Waehringerstr. 42, 1090 Wien (Austria); Rogl, P., E-mail: peter.franz.rogl@univie.ac.at [Institute of Physical Chemistry, University of Vienna, Waehringerstr. 42, 1090 Wien (Austria); Effenberger, H. [Institute of Mineralogy and Crystallography, University of Vienna, A-1090 Wien (Austria)
2011-04-15
In the Ag-Ba-Ge system the clathrate type-{Iota} solid solution, Ba{sub 8}Ag{sub x}Ge{sub 46-x-y{open_square}y}, extends at 800 deg. C from binary Ba{sub 8}Ge{sub 43{open_square}3} ({open_square} is a vacancy) to Ba{sub 8}Ag{sub 5.3}Ge{sub 40.7}. For the clathrate phase (1 {<=} x {<=} 5.3) the cubic space group Pm3-bar n was established by X-ray powder diffraction and confirmed by X-ray single-crystal analyses of the samples Ba{sub 8}Ag{sub 2.3}Ge{sub 41.9{open_square}1.8} and Ba{sub 8}Ag{sub 4.4}Ge{sub 41.3{open_square}0.3}. Increasing the concentration of Ag causes the lattice parameters of the solid solution to increase linearly from a value of a = 1.0656 (x = 0, y = 3) to a = 1.0842 (x = 4.8, y = 0) nm. Site preference determination using X-ray refinement reveals that Ag atoms preferentially occupy the 6d site randomly mixed with Ge and vacancies, which become filled in the compound Ba{sub 8}Ag{sub 4.8}Ge{sub 41.2} when the Ag content increases. At 600 {sup o}C the phase region of the clathrate solution Ba{sub 8}Ag{sub x}Ge{sub 46-x-y{open_square}y} becomes separated from the Ba-Ge boundary and extends from 6.6 to 9.8 at.% Ag. The compound Ba{sub 6}Ge{sub 25} (clathrate type-{Iota}X) dissolves at 800 {sup o}C a maximum of 1.5 at.% Ag. The homogeneity regions of the two ternary compounds BaAg{sub 2-x}Ge{sub 2+x} (ThCr{sub 2}Si{sub 2}-type, 0.2 {<=} x {<=} 0.7) and Ba(Ag{sub 1-x}Ge{sub x}){sub 2} (AlB{sub 2}-type, 0.65 {<=} x {<=} 0.75) were established at 800 deg. C. Studies of transport properties for the series of Ba{sub 8}Ag{sub x}Ge{sub 46-x-y{open_square}y} compounds evidenced that electrons are the predominant charge carriers with the Fermi energy close to a gap. Its position can be fine-tuned by the substitution of Ge by Ag atoms and by mechanical processing of the starting material, Ba{sub 8}Ge{sub 43}. The proximity of the electronic structure at Fermi energy of Ba{sub 8}Ag{sub x}Ge{sub 46-x-y{open_square}y} to a gap is also corroborated by density
International Nuclear Information System (INIS)
Kaesche, S.
1995-01-01
For the superconducting cuprates (Bi,Pb) 2+x Sr 2 Ca 2 Cu 3 O 10+y phase equilibria, the homogeneity region, and the phase formation has been studied in the temperture range 800 to 890 C. Sintered samples were prepared by a solid state reaction starting from Bi 2 O 3 , PbO, CuO and carbonates CaCO 3 and SrCO 3 in a three-stage calcination process. For the phase identification polarization microscopy, X-ray diffraction and susceptibility measurements have been applied. Multi-phase regions were determined in the cross section of the quasi-ternary system (Bi,Pb) 2 O 3 -SrO-CaO-CuO with constant Bi/(Bi+Pb) ratio 0.84 taking into account the 2223-phase. The homogeneity region was determined as function of Sr, Ca, Bi and Pb concentration. Its maximum size was found at 850 C
Shevchenko, M.; Jak, E.
2017-12-01
The phase equilibria information on the Pb-Fe-O system is of practical importance for the improvement of the existing thermodynamic database of lead-containing slag systems (Pb-Zn-Fe-Cu-Si-Ca-Al-Mg-O). Phase equilibria of the Pb-Fe-O system have been investigated: (a) in air at temperatures between 1053 K and 1373 K (780 °C and 1100 °C); (b) in equilibrium with metallic lead at temperatures between 1053 K and 1373 K (780 °C and 1100 °C); and (c) at intermediate oxidation conditions for the liquid slag in equilibrium with two solids (spinel + magnetoplumbite), at temperatures between 1093 K and 1373 K (820 °C and 1100 °C). The high-temperature equilibration/quenching/electron probe X-ray microanalysis technique has been used to accurately determine the compositions of the phases in equilibrium in the system. The Pb and Fe concentrations in the phases were determined directly; preliminary thermodynamic modeling with FactSage was used to estimate the ferrous-to-ferric ratios and to present the results in the ternary diagram.
Phase equilibria in the MgMoO4-Ln2(MoO4)3 (Ln=La,Gd) systems
International Nuclear Information System (INIS)
Fedorov, N.F.; Ipatov, V.V.; Kvyatkovskij, O.V.
1980-01-01
Phase equilibria in the MgMoO 4 -Ln 2 (MoO 4 ) 3 systems (Ln=La, Gd) have been studied by static and dynamic methods of the physico-chemical analysis, using differential thermal, visual-polythermal, crystal-optical, X-ray phase, and infrared spectroscopic methods, and their phase diagrams have been constructed. Phase equilibria in the systems studied are characterized by limited solubility of components in the liquid state, formation of solid solutions on the base of α- and β-forms of Gd 2 (MoO 4 ) 3 . Eutectics in the MgMoO 4 -Ln 2 (MoO 4 ) 3 (Ln=La, Gd) systems corresponds to the composition of 71 mode % La 2 (MoO 4 ) 3 -29 mole % MgMoO 4 , tsub(melt)--935+-5 deg C and 57 mole % Gd 2 (MoO 4 ) 3 -43 mole % MgMoO 4 , tsub(melt)=1020+-5 deg C. The region of glass formation has been established [ru
DEFF Research Database (Denmark)
Nielsen, Morten; Miao, Ling; Ipsen, John Hjorth
1996-01-01
In this work we concentrate on phase equilibria in two-dimensional condensed systems of particles where both translational and internal degrees of freedom are present and coupled through microscopic interactions, with a focus on the manner of the macroscopic coupling between the two types...... where the spin degrees of freedom are slaved by the translational degrees of freedom and develop a first-order singularity in the order-disorder transition that accompanies the lattice-melting transition. The internal degeneracy of the spin states in model III implies that the spin order...
Energy Technology Data Exchange (ETDEWEB)
Ruffine, L.
2005-10-15
The need to develop and improve natural gas treatment processes is real. The petroleum industry usually uses separation processes which require phase equilibrium phenomena. Yet, the complexity of the phase equilibria involved results in a lack of data, which in turn limits the development of thermodynamic models. The first part of this work is devoted to experimental investigations for systems containing light hydrocarbons, methanol, water and acid gases. We present a new apparatus that was developed to measure vapor-liquid and vapor-liquid-liquid equilibria. It allowed us to obtain new phase composition data for the methanol-ethane binary system and different mixtures, and also to determine a part of the three phases equilibrium envelope of the same systems. In the second part of this work, we have developed a thermodynamic model based on the CPA equation of state. This choice may be justified by the presence of associating components like methanol, hydrogen sulfide and water in the systems. Such model is necessary for the design of gas treatment plants. Our model provides good results for phase equilibrium calculations for binaries systems without binary interaction parameter in many cases, and describes correctly the vapour-liquid and vapor-liquid-liquid equilibria for complex mixtures. (author)
Novel Fluid Preservation System, Phase I
National Aeronautics and Space Administration — To address NASA's need for a method to preserve blood and urine samples from astronauts collected during flight, Chromologic (CL) proposes to develop a novel Fluid...
Supercritical fluids technology. Pt. 1 General topics
International Nuclear Information System (INIS)
Marongiu, B.; De Giorgi, M. R.; Porcedda, S.; Cadoni, E.
1998-01-01
Supercritical fluids technology is among the emerging 'clean' technologies, that allows the minimization in the use of chemical and thermic treatments and products irradiation, diminishing the quantity of liquid wastes to be treated. In this first article phase equilibria thermodynamics and fluid mechanics of transport phenomena are reviewed [it
Fluid phases of hydrogen-bound states and thermodynamical properties
International Nuclear Information System (INIS)
Ebeling, W.; Kraeft, W.D.
1985-08-01
The fluid phases of hydrogen and especially the existence of two critical points, the density dependence of the two - particle states and the effective interactions are discussed. An effective Schroedinger equation and a Saha equation are given. (author)
Thermo-Fluid Dynamics of Two-Phase Flow
Ishii, Mamrou
2011-01-01
"Thermo-fluid Dynamics of Two-Phase Flow, Second Edition" is focused on the fundamental physics of two-phase flow. The authors present the detailed theoretical foundation of multi-phase flow thermo-fluid dynamics as they apply to: Nuclear reactor transient and accident analysis; Energy systems; Power generation systems; Chemical reactors and process systems; Space propulsion; Transport processes. This edition features updates on two-phase flow formulation and constitutive equations and CFD simulation codes such as FLUENT and CFX, new coverage of the lift force model, which is of part
Attractive evolutionary equilibria
Roorda, Berend; Joosten, Reinoud
2011-01-01
We present attractiveness, a refinement criterion for evolutionary equilibria. Equilibria surviving this criterion are robust to small perturbations of the underlying payoff system or the dynamics at hand. Furthermore, certain attractive equilibria are equivalent to others for certain evolutionary dynamics. For instance, each attractive evolutionarily stable strategy is an attractive evolutionarily stable equilibrium for certain barycentric ray-projection dynamics, and vice versa.
Multiple equilibria of divertor plasmas
International Nuclear Information System (INIS)
Vu, H.X.; Prinja, A.K.
1993-01-01
A one-dimensional, two-fluid transport model with a temperature-dependent neutral recycling coefficient is shown to give rise to multiple equilibria of divertor plasmas (bifurcation). Numerical techniques for obtaining these multiple equilibria and for examining their stability are presented. Although these numerical techniques have been well known to the scientific community, this is the first time they have been applied to divertor plasma modeling to show the existence of multiple equilibria as well as the stability of these solutions. Numerical and approximate analytical solutions of the present one-dimensional transport model both indicate that there exists three steady-state solutions corresponding to (1) a high-temperature, low-density equilibrium, (2) a low-temperature, high-density equilibrium, and (3) an intermediate-temperature equilibrium. While both the low-temperature and the high-temperature equilibria are stable, with respect to small perturbations in the plasma conditions, the intermediate-temperature equilibrium is physically unstable, i.e., any small perturbation about this equilibrium will cause a transition toward either the high-temperature or low-temperature equilibrium
Directory of Open Access Journals (Sweden)
Huatian Zhang
2012-09-01
Our phase equilibria modeling indicates two main stages during the metamorphic evolution of these rocks: 1 near-isobaric cooling from 975 °C to 875 °C around 8 kbar, represented by the formation of garnet porphyroblasts from spinel and quartz; and 2 cooling and decompression from 850 °C, 8 kbar to below 750 °C, 6.5 kbar, represented by the break-down of garnet. The spinel + quartz assemblage is considered to have been stable at peak metamorphism, formed through the break-down of cordierite, indicating a near isothermal compression process. Our study confirms the regional extent of UHT metamorphism within the IMSZ associated with the Paleoproterozoic subduction-collision process.
DEFF Research Database (Denmark)
Grenner, Andreas; Kontogeorgis, Georgios; von Solms, Nicolas
2007-01-01
The simplified PC-SAFT equation of state has been applied to liquid-liquid, vapor-liquid and solid-liquid equilibria for mixtures containing 1-or 2-alkanols with alkanes, aromatic hydrocarbons, CO2 and water. For the alkanols we use generalized pure compound parameters. This means that two...... of the physical pure compound parameters, in (segment number) and or (segment diameter), are obtained from linear extrapolations, since m and m sigma(3), increase linearly with respect to the molar mass, and moreover, the two association parameters (association energy and association volume) were assumed...... to be constant for all alkanols. Only the dispersion energy is fitted to experimental data. Thus it is possible to estimate parameters for several 1-and 2-alkanols. The final aim is to develop a group contribution approach for PC-SAFT which is suitable for complex compounds, considering that the motivation...
International Nuclear Information System (INIS)
Arce, Alberto; Francisco, Maria; Soto, Ana
2010-01-01
Suitability of a pyridinium ionic liquid as a solvent in desulfurization has been analyzed. (Liquid + liquid) equilibria for ternary systems composed by 1-hexyl-3,5-dimethyl pyridinium {bis[trifluoromethylsulfonyl]imide, thiophene, and three hydrocarbons representative of fuel (n-heptane, 2,2,4 trimethylpentane, and toluene) have been determined at T = 298.15 K and atmospheric pressure. High solubility of thiophene in the ionic liquid and also of toluene have been found, being this solvent practically immiscible with 2,2,4 trimethylpentane and heptane. Equilibrium data of these systems have been well correlated with UNIQUAC equations finding the highest deviations for the ternary system involving toluene. NRTL model drove to worse results being considered as not suitable model to correlate the experimental results.
Energy Technology Data Exchange (ETDEWEB)
Lee, Chul Soo; Lee, Se Il; Sim, Yeon Sik; Park, Sung Bin; Yang, Sung Oh; Park, Ji Yong [Korea University, Seoul (Korea, Republic of)
1995-08-01
In various partitioning processes, rare earth elements and actinide elements are separated from other elements in the first stage. They are then separated into rare earth groups and actinde groups. The first stage is accomplished by solvent extraction using DEHPA, by precipitation using oxalic= acid, or by cation exchange. The second stage is carried out by selective back-extraction or by selective elution using DTPA. In these processes the equilibria is governed by the concentrations of nitric acid, of solvents, and of precipitants among others. In this study various distribution coefficients in partitioning processes were experimentally determined. And thermodynamic models were proposed to calculate distribution coefficients with experimentally determined equilibrium constants. 32 refs., 11 tabs., 23 figs. (author)
A Thermodynamically Consistent Approach to Phase-Separating Viscous Fluids
Anders, Denis; Weinberg, Kerstin
2018-04-01
The de-mixing properties of heterogeneous viscous fluids are determined by an interplay of diffusion, surface tension and a superposed velocity field. In this contribution a variational model of the decomposition, based on the Navier-Stokes equations for incompressible laminar flow and the extended Korteweg-Cahn-Hilliard equations, is formulated. An exemplary numerical simulation using C1-continuous finite elements demonstrates the capability of this model to compute phase decomposition and coarsening of the moving fluid.
Energy Technology Data Exchange (ETDEWEB)
Domanska, Urszula, E-mail: ula@ch.pw.edu.p [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Thermodynamic Research Unit, School of Chemical Engineering, University of KwaZulu-Natal, Howard College Campus, King George V Avenue, Durban 4001 (South Africa); Zawadzki, Maciej [Department of Physical Chemistry, Faculty of Chemistry, Warsaw University of Technology, Noakowskiego 3, 00-664 Warsaw (Poland); Zwolinska, Magdalena [Department of Ergonomics, Laboratory of Thermal Loads, Central Institute for Labour Protection-National Research Institute, Czerniakowska 16, 00-701 Warsaw (Poland)
2011-05-15
Research highlights: We synthesized new ionic liquid, [HQuin][NTf{sub 2}] with low viscosity, and low density. We found high heat capacity, high enthalpy of melting and low melting temperature. HQuin][NTf{sub 2}] is proposed for possible use in the phase change materials (PCM). We examine phase equilibrium changes, SLE and LLE with hydrocarbons and alcohols. [HQuin][NTf{sub 2}] may be proposed as entrainer for the separation proceses. - Abstract: The new quinolinium ionic liquid has been synthesised as a continuation of our work with quinolinium-based ionic liquids (ILs). The work includes specific basic characterisation of synthesized compounds: N-hexylquinolinium bromide, [HQuin][Br] and N-hexylquinolinium bis{l_brace}(trifluoromethyl)sulfonyl{r_brace}imide [HQuin][NTf{sub 2}] by NMR spectra, elementary analysis and water content. The basic thermal properties of the pure [HQuin][NTf{sub 2}] i.e. melting and glass-transition temperatures, the enthalpy of fusion as well as heat capacity have been measured using a differential scanning microcalorimetry technique (DSC) and thermal analysis instrument (TA). Densities and viscosities were determined as a function of temperature. Phase equilibria for the binary systems: {l_brace}[HQuin][NTf{sub 2}]) + aromatic hydrocarbon (benzene, or toluene, or ethylbenzene, or n-propylbenzene), or an alcohol (1-butanol, or 1-hexanol, or 1-octanol, or 1-decanol){r_brace} have been determined at ambient pressure. A dynamic method was used over a broad range of mole fractions and temperatures from (270 to 320) K. For all the binary systems with benzene and alkylbenzenes, the eutectic diagrams were observed with immiscibility gap in the liquid phase beginning from (0.13 to 0.28) mole fraction of the IL with very high an upper critical solution temperature (UCST). For mixtures with alcohols, the complete miscibility was observed for 1-butanol and immiscibility with UCST in the liquid phase for the remaining alcohols. The typical
International Nuclear Information System (INIS)
Truphemus, Thibaut
2013-01-01
In the UO 2 -PuO 2 -Pu 2 O 3 section, a monophasic (U 1-y ,Pu y )O 2-x domain is stable for y≤0,20 at 25 C and up to solid-liquid equilibrium. At higher Pu content, phase equilibria are more unclear with a phase separation process. The main objective of this work consisted in upgrading the representation of this system for 0,15≤y≤0,65 and 25≤T(C)≤1500. At 25 C, a miscibility gap composed by two different (U 1-y ,Pu y )O 2-x phases has been observed for y≤0,45, with one very closed to stoichiometric state (Oxygen/Metal=2) and one other very reduced. For the first time, a triphasic domain has been characterized at higher Pu contents, with two (U 1-y ,Pu y )O 2-x phases near y=0,45 and one (U 1-y ,Pu y ) 2 O 3 phase with a low U content inside. Concerning the study in function of temperature, we have demonstrated that phase separation temperature increase when Pu content grows. Several representations have been established. At 200 C, the representation is closed to that at 25 C. At 400 C, the phase separation have been specified at a lower Pu content than that of literature: y=0,35. At 600 C, our results have clarified the section, until then very unclear, with a phase separation appearing at y=0,60.The microstructural analysis has clearly demonstrated the significant impact of the phase separation on the material. Indeed many cracks have been observed in our samples, and quantity of these defects increases when Pu content grows. (author) [fr
The Al-rich region of the Al-Mn-Ni alloy system. Part II. Phase equilibria at 620-1000 oC
International Nuclear Information System (INIS)
Balanetskyy, S.; Meisterernst, G.; Grushko, B.; Feuerbacher, M.
2011-01-01
Research highlights: → Phase equilibria in the Al-rich region of the Al-Mn-Ni alloy system were studied at 1000, 950, 850, 750, 700, 645 and 620 deg. C by means of SEM, TEM, powder XRD and DTA. → Three ternary thermodynamically stable intermetallics, the φ-phase (Al 5 Co 2 -type, hP26, P63/mmc; a = 0.76632(16), c = 0.78296(15) nm), the κ-phase (κ-Al 14.4 Cr 3.4 Ni l.1 -type, hP227, P63/m; a = 1.7625(10), c = 1.2516(10) nm), and the O-phase (O-Al 77 Cr 14 Pd 9 -type, Pmmn, oP650,: a = 2.3316(16), b = 1.2424(15), c = 3.2648(14) nm), as well as three ternary metastable phases, the decagonal D 3 -phase with periodicity about 1.25 nm, the Al 9 (Mn,Ni) 2 -phase (Al 9 Co 2 -type, P1121/a, mP22; a = 0.8585(16), b = 0.6269(9), c = 0.6205(11) nm, β = 95.34(10) o ) and the O 1 -phase (basecentered orthorhombic, a ∼ 23.8, b ∼ 12.4, c ∼ 32.2 nm) were revealed. → The existence of a thermodynamically stable R-phase of stoichiometry Al 60 Mn 11 Ni 4 , reported earlier in literature, was not confirmed in the present study. - Abstract: Phase equilibria in the Al-rich region of the Al-Mn-Ni alloy system were studied at 1000, 950, 850, 750, 700, 645 and 620 o C. Three ternary thermodynamically stable intermetallics, the φ-phase (Al 5 Co 2 -type, hP26, P6 3 /mmc; a = 0.76632(16), c = 0.78296(15) nm), the κ-phase (κ-Al 14.4 Cr 3.4 Ni l.1 -type, hP227, P6 3 /m; a = 1.7625(10), c = 1.2516(10) nm), and the O-phase (O-Al 77 Cr 14 Pd 9 -type, Pmmn, oP650,: a = 2.3316(16), b = 1.2424(15), c = 3.2648(14) nm), as well as three ternary metastable phases, the decagonal D 3 -phase with periodicity about 1.25 nm, the Al 9 (Mn,Ni) 2 -phase (Al 9 Co 2 -type, P112 1 /a, mP22; a = 0.8585(16), b = 0.6269(9), c = 0.6205(11) nm, β = 95.34(10) o ) and the O 1 -phase (base-centered orthorhombic, a ∼ 23.8, b ∼ 12.4, c ∼ 32.2 nm) were revealed. Their physicochemical behaviour in the Al-Mn-Ni alloy system was studied.
Geometry-induced phase transition in fluids: Capillary prewetting
Yatsyshin, Petr; Savva, Nikos; Kalliadasis, Serafim
2013-01-01
We report a new first-order phase transition preceding capillary condensation and corresponding to the discontinuous formation of a curved liquid meniscus. Using a mean-field microscopic approach based on the density functional theory we compute the complete phase diagram of a prototypical two-dimensional system exhibiting capillary condensation, namely that of a fluid with long-ranged dispersion intermolecular forces which is spatially confined by a substrate forming a semi-infinite rectangu...
Lattice Boltzmann model for three-phase viscoelastic fluid flow
Xie, Chiyu; Lei, Wenhai; Wang, Moran
2018-02-01
A lattice Boltzmann (LB) framework is developed for simulation of three-phase viscoelastic fluid flows in complex geometries. This model is based on a Rothman-Keller type model for immiscible multiphase flows which ensures mass conservation of each component in porous media even for a high density ratio. To account for the viscoelastic effects, the Maxwell constitutive relation is correctly introduced into the momentum equation, which leads to a modified lattice Boltzmann evolution equation for Maxwell fluids by removing the normal but excess viscous term. Our simulation tests indicate that this excess viscous term may induce significant errors. After three benchmark cases, the displacement processes of oil by dispersed polymer are studied as a typical example of three-phase viscoelastic fluid flow. The results show that increasing either the polymer intrinsic viscosity or the elastic modulus will enhance the oil recovery.
Diffusion in porous structures containing three fluid phases
International Nuclear Information System (INIS)
Galani, A.N.; Kainourgiakis, M.E.; Stubos, A.K.; Kikkinides, E.S.
2005-01-01
In the present study, the tracer diffusion in porous media filled by three fluid phases (a non-wetting, an intermediate wetting and a wetting phase) is investigated. The disordered porous structure of porous systems like random sphere packing and the North Sea chalk, is represented by three-dimensional binary images. The random sphere pack is generated by a standard ballistic deposition procedure, while the chalk matrix by a stochastic reconstruction technique. Physically sound spatial distributions of the three phases filling the pore space are determined by the use of a simulated annealing algorithm, where those phases are initially randomly distributed in the pore space and trial-and-error swaps are performed in order to attain the global minimum of the total interfacial energy. The acceptance rule for a trial move during the annealing is modified properly improving the efficiency of the technique. The diffusivities of the resulting domains are computed by a random walk method. A parametric study with respect to the pore volume fraction occupied by each fluid phase and the ratio of the diffusivities in the fluid phases is performed. (authors)
Mass transfer processes in crystalline aggregates containing a fluid phase
Visser, H.J.M.
1999-01-01
Understanding mass transfer processes in porous crystalline aggregates containing a fluid phase is of major importance for modelling partially molten regions of the Earth's mantle, such as those under mid-ocean spreading ridges. Despite the fact that mid-ocean ridges can be considered the
Mass transfer processes in crystalline aggregates containing a fluid phase
Visser, H.J.M.
1999-01-01
Understanding mass transfer processes in porous crystalline aggregates containing a fluid phase is of major importance for modelling partially molten regions of the Earth's mantle, such as those under mid-ocean spreading ridges. Despite the fact that mid-ocean ridges can be considered the simplest
The heat capacity of a natural monticellite and phase equilibria in the system CaO-MgO-SiO2-CO2
Sharp, Z.D.; Essene, E.J.; Anovitz, Lawrence M.; Metz, G.W.; Westrum, E.F.; Hemingway, B.S.; Valley, J.W.
1986-01-01
The heat capacity of a natural monticellite (Ca1.00Mg.09Fe.91Mn.01Si0.99O3.99) measured between 9.6 and 343 K using intermittent-heating, adiabatic calorimetry yields Cp0(298) and S2980 of 123.64 ?? 0.18 and 109.44 ?? 0.16 J ?? mol-1 K-1 respectively. Extrapolation of this entropy value to end-member monticellite results in an S0298 = 108.1 ?? 0.2 J ?? mol-1 K-1. High-temperature heat-capacity data were measured between 340-1000 K with a differential scanning calorimeter. The high-temperature data were combined with the 290-350 K adiabatic values, extrapolated to 1700 K, and integrated to yield the following entropy equation for end-member monticellite (298-1700 K): ST0(J ?? mol-1 K-1) = S2980 + 164.79 In T + 15.337 ?? 10-3 T + 22.791 ?? 105 T-2 - 968.94. Phase equilibria in the CaO-MgO-SiO2 system were calculated from 973 to 1673 K and 0 to 12 kbar with these new data combined with existing data for akermanite (Ak), diopside (Di), forsterite (Fo), merwinite (Me) and wollastonite (Wo). The location of the calculated reactions involving the phases Mo and Fo is affected by their mutual solid solution. A best fit of the thermodynamically generated curves to all experiments is made when the S0298 of Me is 250.2 J ?? mol-1 K-1 less than the measured value of 253.2 J ?? mol-1 K-1. A best fit to the reversals for the solid-solid and decarbonation reactions in the CaO-MgO-SiO2-CO2 system was obtained with the ??G0298 (kJ ?? mole-1) for the phases Ak(-3667), Di(-3025), Fo(-2051), Me(-4317) and Mo(-2133). The two invariant points - Wo and -Fo for the solid-solid reactions are located at 1008 ?? 5 K and 6.3 ?? 0.1 kbar, and 1361 ?? 10 K and 10.2 ?? 0.2 kbar respectively. The location of the thermodynamically generated curves is in excellent agreement with most experimental data on decarbonation equilibria involving these phases. ?? 1986.
International Nuclear Information System (INIS)
Kobayashi, Satoru; Schneider, Andre; Zaefferer, Stefan; Frommeyer, Georg; Raabe, Dierk
2005-01-01
In the context of the development of high-strength Fe 3 Al-based alloys, phase equilibria among α-Fe(Al, Cr, Ti), liquid and TiC phases in the Fe-Al-Cr-Ti-C quinary system and the formation of TiC were determined. A pseudo-eutectic trough (L α + L + TiC) exists at 1470 deg C at around Fe-26Al-5Cr-2Ti-1.7C on the vertical section between Fe-26Al-5Cr (α) and Ti-46C (TiC) in at.%. Large faceted TiC precipitates form from the melt after the formation of primary α phase even in hypoeutectic alloys. The TiC formation is thought to be due to the composition change of the liquid towards the hypereutectic compositions by solidification of the primary α. In order to remove the faceted TiC, which are unfavourable for strengthening the material, two different processing routes have been successfully tested: (i) solidification with an increased rate to reduce the composition variation of the liquid during solidification, and (ii) unidirectional solidification to separate the light TiC precipitates from the melt
Wang, Chao-hong; Kuo, Chun-yi; Yang, Nian-cih
2015-11-01
The isothermal section of the ternary Sn-Pb-Co system at 250°C was experimentally determined through a series of the equilibrated Sn-Pb-Co alloys of various compositions. The equilibrium phases were identified on the basis of compositional analysis. For the Sn-Co intermetallic compounds (IMCs), CoSn3, CoSn2, CoSn and Co3Sn2, the Pb solubility was very limited. There exist five tie-triangle regions. The Co-Pb system involves one monotectic reaction, so the phase separation of liquid alloys near the Co-Pb side occurred prior to solidification. The immiscibility field was also determined. Additionally, interfacial reactions between Co and Sn-Pb alloys were conducted. The reaction phase for the Sn-48 at.%Pb and Sn-58 at.%Pb at 250°C was CoSn3 and CoSn2, respectively. Both of them were simultaneously formed in the Sn-53 at.%Pb/Co. The formed IMCs were closely associated to the phase equilibria relationship of the liquid-CoSn3-CoSn2 tie-triangle. Furthermore, with increasing temperatures, the phase formed in equilibrium with Sn-37 wt.%Pb was found to transit from CoSn3 to CoSn2 at 275°C. We propose a simple method of examining the phase transition temperature in the interfacial reactions to determine the boundaries of the liquid-CoSn3-CoSn2 tie-triangles at different temperatures.
Fluid-elastic vibration in two-phase cross flow
International Nuclear Information System (INIS)
Sasakawa, T.; Serizawa, A.; Kawara, Z.
2003-01-01
The present work aims at clarifying the mechanisms of fluid elastic vibration of tube bundles in two-phase cross flow. The experiment is conducted using air-water two-phase flow under atmospheric pressure. The test section is a 1.03m long transparent acrylic square duct with 128 x 128 mm 2 cross section, which consists of 3 rod-rows with 5 rods in each row. The rods are 125mm long aluminum rods with 22 mm in diameter (p/D=1.45). The natural frequency of rod vibration is about 30Hz. The result indicated a diversion of observed trend in vibration behavior depending on two-phase flow patterns either bubbly flow or churn flow. Specifically, in churn flow, the fluid elastic vibration has been observed to occur when the frequency in void fraction fluctuation approached to the natural frequency of the rods, but this was not the case in fluid elastic vibration in bubbly flow. This fact suggests the existence of mechanisms closely coupled with two-phase flow structures depending on the flow patterns, that is, static two-phase character-controlled mechanism in bubbly flow and dynamic character- controlled in churn flow
Energy Technology Data Exchange (ETDEWEB)
Zupanič, Franc, E-mail: franc.zupanic@um.si [University of Maribor, Faculty of Mechanical Engineering, Smetanova ulica 17, SI-2000 Maribor (Slovenia); Markoli, Boštjan; Naglič, Iztok [University of Ljubljana, Faculty of Natural Sciences and Technologies, Askerceva 12, Ljubljana SI-1000 (Slovenia); Bončina, Tonica [University of Maribor, Faculty of Mechanical Engineering, Smetanova ulica 17, SI-2000 Maribor (Slovenia)
2013-09-05
Highlights: •We investigated the constitution of the Al-rich corner of the Al–Mn–Be system. •Be{sub 4}AlMn is a thermodynamically stable phase in the Al-corner of the Al–Mn–Be system. •The T-phase (Al{sub 15}Mn{sub 3}Be{sub 2}) is not a stable phase in the Al-corner at 600 °C. •The λ-Al{sub 4}Mn phase is a stable phase in the Al-corner at 600 °C. •T-phase is a stable phase at 750 °C. -- Abstract: This work investigated the constitution of the Al-rich corner within the ternary Al–Mn–Be phase diagram using SEM + EDS, AES, XRD and DSC. With respect to the results, an isothermal cross-section at 600 °C was established, as well as a prediction of the apparent liquidus projection in the Al-corner. Be{sub 4}AlMn is a thermodynamically stable phase in the Al-rich corner of the ternary phase diagram. The other ternary T-phase, usually designated as Al{sub 15}Mn{sub 3}Be{sub 2}, formed during solidification in alloys with Be:Mn atomic ratios of less than 4:1, and having more than 1.5 at.% Mn. This phase is not a stable phase in the Al-rich corner at 600 °C. In contrast, the λ-Al{sub 4}Mn phase is a stable one. The T-phase is stable over a rather large part of the phase diagram at least within a temperature range close to 750 °C, where it is in equilibrium with the Al-rich liquid phase, and Be{sub 4}AlMn.
Some stable hydromagnetic equilibria
Energy Technology Data Exchange (ETDEWEB)
Johnson, J L; Oberman, C R; Kulsrud, R M; Frieman, E A [Project Matterhorn, Princeton University, Princeton, NJ (United States)
1958-07-01
We have been able to find and investigate the properties of equilibria which are hydromagnetically stable. These equilibria can be obtained, for example, by wrapping conductors helically around the stellarator tube. Systems with I = 3 or 4 are indicated to be optimum for stability purposes. In some cases an admixture of I = 2 fields can be advantageous for achieving equilibrium. (author)
On the stability of dissipative MHD equilibria
International Nuclear Information System (INIS)
Teichmann, J.
1979-04-01
The global stability of stationary equilibria of dissipative MHD is studied uisng the direct Liapunov method. Sufficient and necessary conditions for stability of the linearized Euler-Lagrangian system with the full dissipative operators are given. The case of the two-fluid isentropic flow is discussed. (orig.)
Guilmette, C.; Indares, A.; Hébert, R.
2011-05-01
Rare kyanite-bearing anatectic paragneisses are found as boudins within sillimanite-bearing paragneisses of the core of the Namche Barwa Antiform, Tibet. In the present study, we document an occurrence from the NW side of the Yarlung Zangbo River. These rocks mainly consist of the assemblage garnet + K-feldspar + kyanite ± biotite + quartz + rutile ± plagioclase with kyanite locally pseudomorphed by sillimanite. The documented textures are consistent with the rocks having undergone biotite-dehydration melting in the kyanite stability field, under high-P granulite facies conditions, and having experienced melt extraction. However textures related to melt crystallization are ubiquitous both in polymineralic inclusions in garnet and in the matrix, suggesting that a melt fraction had remained in these rocks. Phase equilibria modelling was undertaken in the NCKFMASTHO system with THERMOCALC. P-T pseudosections built with the bulk compositions of one aluminous and one sub-aluminous paragneiss samples predict a biotite-kyanite-garnet-quartz-plagioclase-K-feldspar-liquid-rutile ± ilmenite field, in which biotite-dehydration melting occurs, located in the P-T range of ~ 800-875 °C and ~ 10-17 kbar. In addition, the topologies of these pseudosections are consistent with substantial melt loss during prograde metamorphism. A second set of P-T pseudosections with melt-reintegrated model bulk compositions were thus constructed to evaluate the effect of melt loss. The integration of textural information, precise mineral modes, mineral chemistry, and phase equilibria modelling allowed to constrain a P-T path where the rocks are buried to lower crustal depths at peak P-T conditions higher than 14 kbar and 825 °C, possibly in the order of 15-16 kbar and 850 °C, followed by decompression and cooling to P-T conditions of around 9 kbar and 810 °C, under which the remaining melt was solidified. The implications for granite production at the NBA and for Himalayan tectonic models
Uniform phases in fluids of hard isosceles triangles: One-component fluid and binary mixtures
Martínez-Ratón, Yuri; Díaz-De Armas, Ariel; Velasco, Enrique
2018-05-01
We formulate the scaled particle theory for a general mixture of hard isosceles triangles and calculate different phase diagrams for the one-component fluid and for certain binary mixtures. The fluid of hard triangles exhibits a complex phase behavior: (i) the presence of a triatic phase with sixfold symmetry, (ii) the isotropic-uniaxial nematic transition is of first order for certain ranges of aspect ratios, and (iii) the one-component system exhibits nematic-nematic transitions ending in critical points. We found the triatic phase to be stable not only for equilateral triangles but also for triangles of similar aspect ratios. We focus the study of binary mixtures on the case of symmetric mixtures: equal particle areas with aspect ratios (κi) symmetric with respect to the equilateral one, κ1κ2=3 . For these mixtures we found, aside from first-order isotropic-nematic and nematic-nematic transitions (the latter ending in a critical point): (i) a region of triatic phase stability even for mixtures made of particles that do not form this phase at the one-component limit, and (ii) the presence of a Landau point at which two triatic-nematic first-order transitions and a nematic-nematic demixing transition coalesce. This phase behavior is analogous to that of a symmetric three-dimensional mixture of rods and plates.
Fluid dynamics of cryogenic two-phase flows
International Nuclear Information System (INIS)
Verfondern, K.; Jahn, W.
2004-01-01
The objective of this study was to examine the flow behavior of a methane hydrate/methane-liquid hydrogen dispersed two-phase fluid through a given design of a moderator chamber for the ESS target system. The calculations under simplified conditions, e.g., taking no account of heat input from outside, have shown that the computer code used, CFX, was able to simulate the behavior of the two-phase flow through the moderator chamber, producing reasonable results up to a certain level of the solid phase fraction, that allowed a continuous flow process through the chamber. Inlet flows with larger solid phase fractions than 40 vol% were found to be a ''problem'' for the computer code. From the computer runs based on fractions between 20 and 40 vol%, it was observed that with increasing solid phase fraction at the inlet, the resulting flow pattern revealed a strong tendency for blockage within the chamber, supported by the ''heavy weight'' of the pellets compared to the carrying liquid. Locations which are prone to the development of such uneven flow behavior are the areas around the turning points in the semispheres and near the exit of the moderator. The considered moderator chamber with horizontal inlet and outlet flow for a solid-liquid two-phase fluid does not seem to be an appropriate design. (orig.)
Energy Technology Data Exchange (ETDEWEB)
Aksenova, T.V.; Efimova, T.G. [Department of Physical and Inorganic Chemistry, Institute of Natural Science and Mathematics, Ural Federal University, Lenin av., 51, Yekaterinburg 620000 (Russian Federation); Lebedev, O.I. [Laboratoire CRISMAT, ENSICAEN UMR6508, 6 Bd Maréchal Juin, Cedex 4, Caen 14050 (France); Elkalashy, Sh.I.; Urusova, A.S. [Department of Physical and Inorganic Chemistry, Institute of Natural Science and Mathematics, Ural Federal University, Lenin av., 51, Yekaterinburg 620000 (Russian Federation); Cherepanov, V.A., E-mail: v.a.cherepanov@urfu.ru [Department of Physical and Inorganic Chemistry, Institute of Natural Science and Mathematics, Ural Federal University, Lenin av., 51, Yekaterinburg 620000 (Russian Federation)
2017-04-15
The phase equilibria in the ½Nd{sub 2}O{sub 3}–SrO–CoO system were systematically studied at 1373 K in air. The intermediate phases formed in the ½Nd{sub 2}O{sub 3}–SrO–CoO system at 1373 K in air are: Nd{sub 1-x}Sr{sub x}CoO{sub 3-δ} (0.0≤x≤0.5 with orthorhombic structure, sp. gr. Pbnm and 0.6≤x≤0.95 whose structure was detected as cubic according to XRD sp. gr. Pm3m, but shown to be tetragonal by TEM due to the oxygen vacancy ordering), Nd{sub 2-y}Sr{sub y}CoO{sub 4-δ} (0.6≤y≤1.1 with tetragonal K{sub 2}NiF{sub 4}-type structure, sp. gr. I4/mmm) and Nd{sub 2-z}Sr{sub z}O{sub 3} (0.0≤z≤0.15 with hexagonal structure, sp. gr. P-3m1). The unit cell parameters for the single phase samples were refined by the Rietveld analysis. The changes of oxygen content in Nd{sub 1-x}Sr{sub x}CoO{sub 3-δ} (0.6≤x≤0.95) and Ruddlesden-Popper oxide Nd{sub 2-y}Sr{sub y}CoO{sub 4-δ} were examined by TGA. All were found to be oxygen deficient phases. High-temperature dilatometry allows calculating the thermal expansion coefficient and evaluating the chemical expansion coefficient at high temperature. The projection of isothermal-isobaric phase diagram for the Nd–Sr–Co–O system at 1373 K in air to the compositional triangle of metallic components has been constructed. The phase equilibria in the studied Nd–Sr–Co–O system were compared to La–Sr–Co–O and Nd–M–Co–O (M=Ca and Ba). - Graphical abstract: Crystal structure of vacancy ordered supercell for Nd{sub 0.2}Sr{sub 0.8}CoO{sub 3-δ} and projection of phase diagram for the Nd–Sr–Co–O system onto the triangle edge of metallic components at 1373 K in air. - Highlights: • The diagram for the Nd–Sr–Co–O system at 1373 K in air has been constructed. • The crystal structure of Nd{sub 1-x}Sr{sub x}CoO{sub 3-δ} and Nd{sub 2-y}Sr{sub y}CoO{sub 4±δ} was refined. • The formation of superstructure due to the oxygen vacancy ordering was proved. • The changes of oxygen
Geometry-induced phase transition in fluids: capillary prewetting.
Yatsyshin, Petr; Savva, Nikos; Kalliadasis, Serafim
2013-02-01
We report a new first-order phase transition preceding capillary condensation and corresponding to the discontinuous formation of a curved liquid meniscus. Using a mean-field microscopic approach based on the density functional theory we compute the complete phase diagram of a prototypical two-dimensional system exhibiting capillary condensation, namely that of a fluid with long-ranged dispersion intermolecular forces which is spatially confined by a substrate forming a semi-infinite rectangular pore exerting long-ranged dispersion forces on the fluid. In the T-μ plane the phase line of the new transition is tangential to the capillary condensation line at the capillary wetting temperature T(cw). The surface phase behavior of the system maps to planar wetting with the phase line of the new transition, termed capillary prewetting, mapping to the planar prewetting line. If capillary condensation is approached isothermally with T>T(cw), the meniscus forms at the capping wall and unbinds continuously, making capillary condensation a second-order phenomenon. We compute the corresponding critical exponent for the divergence of adsorption.
Coupling two-phase fluid flow with two-phase darcy flow in anisotropic porous media
Chen, J.
2014-06-03
This paper reports a numerical study of coupling two-phase fluid flow in a free fluid region with two-phase Darcy flow in a homogeneous and anisotropic porous medium region. The model consists of coupled Cahn-Hilliard and Navier-Stokes equations in the free fluid region and the two-phase Darcy law in the anisotropic porous medium region. A Robin-Robin domain decomposition method is used for the coupled Navier-Stokes and Darcy system with the generalized Beavers-Joseph-Saffman condition on the interface between the free flow and the porous media regions. Obtained results have shown the anisotropic properties effect on the velocity and pressure of the two-phase flow. 2014 Jie Chen et al.
Coupling Two-Phase Fluid Flow with Two-Phase Darcy Flow in Anisotropic Porous Media
Directory of Open Access Journals (Sweden)
Jie Chen
2014-06-01
Full Text Available This paper reports a numerical study of coupling two-phase fluid flow in a free fluid region with two-phase Darcy flow in a homogeneous and anisotropic porous medium region. The model consists of coupled Cahn-Hilliard and Navier-Stokes equations in the free fluid region and the two-phase Darcy law in the anisotropic porous medium region. A Robin-Robin domain decomposition method is used for the coupled Navier-Stokes and Darcy system with the generalized Beavers-Joseph-Saffman condition on the interface between the free flow and the porous media regions. Obtained results have shown the anisotropic properties effect on the velocity and pressure of the two-phase flow.
Directory of Open Access Journals (Sweden)
A. Zuend
2010-08-01
Full Text Available Semivolatile organic and inorganic aerosol species partition between the gas and aerosol particle phases to maintain thermodynamic equilibrium. Liquid-liquid phase separation into an organic-rich and an aqueous electrolyte phase can occur in the aerosol as a result of the salting-out effect. Such liquid-liquid equilibria (LLE affect the gas/particle partitioning of the different semivolatile compounds and might significantly alter both particle mass and composition as compared to a one-phase particle. We present a new liquid-liquid equilibrium and gas/particle partitioning model, using as a basis the group-contribution model AIOMFAC (Zuend et al., 2008. This model allows the reliable computation of the liquid-liquid coexistence curve (binodal, corresponding tie-lines, the limit of stability/metastability (spinodal, and further thermodynamic properties of multicomponent systems. Calculations for ternary and multicomponent alcohol/polyol-water-salt mixtures suggest that LLE are a prevalent feature of organic-inorganic aerosol systems. A six-component polyol-water-ammonium sulphate system is used to simulate effects of relative humidity (RH and the presence of liquid-liquid phase separation on the gas/particle partitioning. RH, salt concentration, and hydrophilicity (water-solubility are identified as key features in defining the region of a miscibility gap and govern the extent to which compound partitioning is affected by changes in RH. The model predicts that liquid-liquid phase separation can lead to either an increase or decrease in total particulate mass, depending on the overall composition of a system and the particle water content, which is related to the hydrophilicity of the different organic and inorganic compounds. Neglecting non-ideality and liquid-liquid phase separations by assuming an ideal mixture leads to an overestimation of the total particulate mass by up to 30% for the composition and RH range considered in the six
DEFF Research Database (Denmark)
Kahl, Heike; Quitzsch, Konrad; Stenby, Erling Halfdan
1997-01-01
of multicomponent system is the coexistence of a highly structural liquid phase enriched with amphiphilic compounds and an excess water or an excess oil phase or both of them. The phase behaviour was studied experimentally by use of turbidity titration and HPLC measurements and theoretically by application...... of the UNIQUAC-equation and the UNIFAC-method. The UNIFAC-method is able to describe the phase behaviour in the quaternary system qualitatively, without fitting parameters. However, by applying the UNIQUAC-method, with adjustable parameters, it was only possible to model the ternary subsystems. The modelling......A systematic investigation of the phase behaviour involving microemulsions is presented with respect to experimental and calculated data for the four-component system n-decyl-(beta)-D-glucopyranoside/water/n-octane/1-butanol and its corresponding ternaries at 25°C. The main feature of this kind...
Phase equilibria in the KFeS2-Fe-S system at 300-600 °C and bartonite stability
Osadchii, Valentin O.; Voronin, Mikhail V.; Baranov, Alexander V.
2018-05-01
The article deals with phase relations in the KFeS2-Fe-S system studied by the dry synthesis method in the range of 300-600 °C and at a pressure of 1 bar. At the temperature below 513 ± 3 °C, pyrite coexists with rasvumite and there are pyrite-rasvumite-KFeS2 and pyrite-rasvumite-pyrrhotite equilibria established. Above 513 ± 3 °C pyrite and rasvumite react to form KFeS2 and pyrrhotite, limiting the pyrite-rasvumite association to temperatures below this in nature. The experiments also outline the compositional stability range of the copper-free analog of murunskite (K x Fe2- y S2) and suggest that mineral called bartonite is not stable in the Cl-free system, at least at atmospheric pressure and the temperature in the experiments. Chlorbartonite could be easily produced after adding KCl in the experiment. Possible parageneses in the quaternary K-Fe-S-Cl system were described based on the data obtained in this research and found in the previous studies. The factors affecting the formation of potassium-iron sulfides in nature were discussed.
Learning efficient correlated equilibria
Borowski, Holly P.; Marden, Jason R.; Shamma, Jeff S.
2014-01-01
The majority of distributed learning literature focuses on convergence to Nash equilibria. Correlated equilibria, on the other hand, can often characterize more efficient collective behavior than even the best Nash equilibrium. However, there are no existing distributed learning algorithms that converge to specific correlated equilibria. In this paper, we provide one such algorithm which guarantees that the agents' collective joint strategy will constitute an efficient correlated equilibrium with high probability. The key to attaining efficient correlated behavior through distributed learning involves incorporating a common random signal into the learning environment.
Learning efficient correlated equilibria
Borowski, Holly P.
2014-12-15
The majority of distributed learning literature focuses on convergence to Nash equilibria. Correlated equilibria, on the other hand, can often characterize more efficient collective behavior than even the best Nash equilibrium. However, there are no existing distributed learning algorithms that converge to specific correlated equilibria. In this paper, we provide one such algorithm which guarantees that the agents\\' collective joint strategy will constitute an efficient correlated equilibrium with high probability. The key to attaining efficient correlated behavior through distributed learning involves incorporating a common random signal into the learning environment.
Phase equilibria in the Cs-U-O system in the temperature range from 873 to 1273 K
International Nuclear Information System (INIS)
Fee, D.C.; Johnson, C.E.
1978-01-01
Portions of the cesium-uranium-oxygen system have been investigated between 873 and 1273 K and a phase diagram has been constructed using these data and the data of other workers in the field. A consistent set of measured and estimated thermodynamic data for cesium uranates has been used to calculate the equilibrium cesium partial pressure and the equilibrium oxygen partial pressure over two and three phase regions in the Cs-U-O system. For a given temperature, the equilibrium cesium partial pressure in a two phase region decreases as the equilibrium oxygen partial pressure increases. (author)
Experimental Investigation of Phase Equilibria in the Ho-Ti-Si Ternary System at 973 K (700 °C)
Han, Feng; Zhan, Yongzhong
2018-02-01
Phase equilibrium relations of the Ho-Ti-Si ternary system at 973 K (700 °C) were experimentally researched by means of X-ray diffraction (XRD), scanning electron microscopy (SEM), and energy-dispersive spectrometer (EDS). The isothermal section of the system at 973 K (700 °C) consists of 14 three-phase regions, 27 two-phase regions, and 14 single-phase regions. The phases Ti5Si3, Ti5Si4, TiSi, TiSi2, Ho5Si3, Ho5Si4, HoSi, αHoSi2-b, and βHoSi2-a are proved to exist at 973 K (700 °C). Previously reported HoTiSi and Ho2Ti3Si4 ternary compounds were confirmed to exist at this temperature. The solubility of Ho in the intermediate phases (i.e., TiSi2, TiSi, Ti5Si4, and Ti5Si3) at the Ti-Si side is extremely small. The maximum solubilities of Ti in HoSi2-b, Ho5Si4, and Ho5Si3 are confirmed to be 8.0, 7.2, and 6.0 at. pct, respectively.
Two-phase flow characteristics of HFC and HCFC fluid
International Nuclear Information System (INIS)
Ueno, T.; Matsuda, K.; Kusakabe, T.
1998-01-01
Some two-phase flow characteristics of HFC and HCFC fluid have been investigated experimentally. Fluids used in this experiment are HCFC22 (hereinafter called 'R22'), HCFC123 (hereinafter called 'R123') and Mixture of HFC fluid (hereinafter called 'R407C'). The fluid R407C are mixture of HFC32, HFC134a and HFC125, and their concentrations are 23wt%, 52wt% and 25wt%, respectively. This paper presents main flow parameters such as void fraction, interfacial velocities, bubble diameter distribution and pressure drop multiplier, which can characterize flow behavior. The void fractions and interfacial velocities were measured at some local positions in the single pipe using the bi-optical probe(hereinafter called 'BOP'). The procedure to calculate the void fraction from the void signals obtained by BOP were adopted the so-called slice method. The effects of slice levels on the void fraction were discussed taking into account bubble diameter. The new correlation of slice level as the function of void fraction has been proposed. The area-averaged void fractions obtained from BOP's void signals using new correlation were compared with void fractions obtained from pressure drops. The area-averaged interfacial velocities were also compared with the superficial gas velocities. It was concluded that the accuracy of BOP measurements are 5% for void fraction and less than 8.5% for interfacial velocity
Immiscible two-phase fluid flows in deformable porous media
Lo, Wei-Cheng; Sposito, Garrison; Majer, Ernest
Macroscopic differential equations of mass and momentum balance for two immiscible fluids in a deformable porous medium are derived in an Eulerian framework using the continuum theory of mixtures. After inclusion of constitutive relationships, the resulting momentum balance equations feature terms characterizing the coupling among the fluid phases and the solid matrix caused by their relative accelerations. These terms, which imply a number of interesting phenomena, do not appear in current hydrologic models of subsurface multiphase flow. Our equations of momentum balance are shown to reduce to the Berryman-Thigpen-Chen model of bulk elastic wave propagation through unsaturated porous media after simplification (e.g., isothermal conditions, neglect of gravity, etc.) and under the assumption of constant volume fractions and material densities. When specialized to the case of a porous medium containing a single fluid and an elastic solid, our momentum balance equations reduce to the well-known Biot model of poroelasticity. We also show that mass balance alone is sufficient to derive the Biot model stress-strain relations, provided that a closure condition for porosity change suggested by de la Cruz and Spanos is invoked. Finally, a relation between elastic parameters and inertial coupling coefficients is derived that permits the partial differential equations of the Biot model to be decoupled into a telegraph equation and a wave equation whose respective dependent variables are two different linear combinations of the dilatations of the solid and the fluid.
Thermal analysis and prediction of phase equilibria in the TiO2-Bi2O3 system
International Nuclear Information System (INIS)
Lopez-Martinez, Jaqueline; Romero-Serrano, Antonio; Hernandez-Ramirez, Aurelio; Zeifert, Beatriz; Gomez-Yanez, Carlos; Martinez-Sanchez, Roberto
2011-01-01
A thermodynamic study on the TiO 2 -Bi 2 O 3 system was carried out using differential thermal analysis (DTA) and X-Ray diffraction (XRD) techniques covering the composition range from 65 to 90 mol% Bi 2 O 3 . From the XRD results the only two intermediate compounds in the Bi 2 O 3 rich region were Bi 4 Ti 3 O 12 and Bi 12 TiO 20 . The Bi 4 Ti 3 O 12 phase presents the well known plate-like morphology. The experimentally determined phase transition temperatures with DTA technique were compared with thermodynamic calculated results and good agreement was obtained. The DTA results also showed that the limit of the peritectic reaction between liquid and Bi 4 Ti 3 O 12 occurs approximately at 90 mol% Bi 2 O 3 . The phase diagram of the TiO 2 -Bi 2 O 3 system was calculated using a quasichemical model for the liquid phase. The thermodynamic properties of the intermediate compounds were estimated from the data of TiO 2 and Bi 2 O 3 pure solids. In this manner, data for this binary system have been analysed and represented with a small adjustable parameter for the liquid phase.
Phase equilibria in the CdMoO4-Gd2(MoO4)3 system
International Nuclear Information System (INIS)
Tunik, T.A.; Fedorov, N.F.; Razumovskij, S.N.
1980-01-01
The constitutional diagram of the CdMoO 4 -Cd 2 (MoO 4 ) 3 system has been plotted using statistical and dynamic methods as well as a complex of instrumental analysis procedures. Three major phases have been found to occur in the systems, viz.: CdMoO 4 based solid solutions that crystallize in the range from 0 to 25 mol.percent of Cd 2 (MoO 4 ) 3 and pass in transit the two-phase narrow region becoming then solid solutions having a distorted scheelite structure and existing in concentrations from 40 to 65 mol.% of Cd 2 (MoO 4 ) 3 . The entire range, in which the Cd 2 (MoO 4 ) 3 solid solutions can exist, amounts to less than 5 mol.%. Certain crystallochemical constants of the phases that occur in the system have been determined [ru
Phase separation in fluids exposed to spatially periodic external fields.
Vink, R L C; Archer, A J
2012-03-01
When a fluid is confined within a spatially periodic external field, the liquid-vapor transition is replaced by a different transition called laser-induced condensation (LIC) [Götze et al., Mol. Phys. 101, 1651 (2003)]. In d=3 dimensions, the periodic field induces an additional phase, characterized by large density modulations along the field direction. At the triple point, all three phases (modulated, vapor, and liquid) coexist. At temperatures slightly above the triple point and for low (high) values of the chemical potential, two-phase coexistence between the modulated phase and the vapor (liquid) is observed; by increasing the temperature further, both coexistence regions terminate in critical points. In this paper, we reconsider LIC using the Ising model to resolve a number of open issues. To be specific, we (1) determine the universality class of the LIC critical points and elucidate the nature of the correlations along the field direction, (2) present a mean-field analysis to show how the LIC phase diagram changes as a function of the field wavelength and amplitude, (3) develop a simulation method by which the extremely low tension of the interface between modulated and vapor or liquid phase can be measured, (4) present a finite-size scaling analysis to accurately extract the LIC triple point from finite-size simulation data, and (5) consider the fate of LIC in d=2 dimensions.
Liquid-liquid phase equilibria for ternary systems of several polyethers with NaCl and H2O
Milosevic, M.; Staal, K.J.J.; Schuur, Boelo; de Haan, A.B.
2014-01-01
Liquid–liquid extraction using polymers followed by induced phase separation is a potential energy reducing technology for water–salt separation. Ternary equilibrium data have been determined and reported for the (block co)poly ethers–sodium chloride–water systems at two different temperatures at
Dynamic Studies of Lung Fluid Clearance with Phase Contrast Imaging
International Nuclear Information System (INIS)
Kitchen, Marcus J.; Williams, Ivan; Irvine, Sarah C.; Morgan, Michael J.; Paganin, David M.; Lewis, Rob A.; Pavlov, Konstantin; Hooper, Stuart B.; Wallace, Megan J.; Siu, Karen K. W.; Yagi, Naoto; Uesugi, Kentaro
2007-01-01
Clearance of liquid from the airways at birth is a poorly understood process, partly due to the difficulties of observing and measuring the distribution of air within the lung. Imaging dynamic processes within the lung in vivo with high contrast and spatial resolution is therefore a major challenge. However, phase contrast X-ray imaging is able to exploit inhaled air as a contrast agent, rendering the lungs of small animals visible due to the large changes in the refractive index at air/tissue interfaces. In concert with the high spatial resolution afforded by X-ray imaging systems (<100 μm), propagation-based phase contrast imaging is ideal for studying lung development. To this end we have utilized intense, monochromatic synchrotron radiation, together with a fast readout CCD camera, to study fluid clearance from the lungs of rabbit pups at birth. Local rates of fluid clearance have been measured from the dynamic sequences using a single image phase retrieval algorithm
Institute of Scientific and Technical Information of China (English)
王琳; 曹丰璞; 刘珊珊; 杨浩
2011-01-01
High-pressure vapor-liquid phase equilibrium data for carbon dioxide＋ isopentanol were measured at tempera- tures of 313.2, 323.1, 333.5 and 343.4 K in the pressure range of 4.64 to 12.71 MPa in a variable-volume high-pressure visual cell. The experimental data were well correlated with Peng-Robinson equation of state （PR-EOS） together with van der Waals-2 two-parameter mixing rule, and the binary interaction parameters were obtained. Henry coefficients and partial molar volumes of CO2 at infinite dilution were estimated based on Krichevsky-Kasarnovsky equation, and Henry coefficients increase with increasing temperature, however, partial molar volumes of CO2 at infinite dilution are negative and the magnitudes decrease with temperature.
Industrial applications and current trends in supercritical fluid technologies
Gamse Thomas
2005-01-01
Supercritical fluids have a great potential for wide fields of processes Although CO2 is still one of the most used supercritical gases, for special purposes propane or even fluorinated-chlorinated fluids have also been tested. The specific characteristics of supercritical fluids behaviour were analyzed such as for example the solubilities of different components and the phase equilibria between the solute and solvent. The application at industrial scale (decaffeinating of tea and coffee, hop...
Reshetova, E. N.; Asnin, L. D.; Kachmarsky, K.
2018-02-01
The chromatographic separation of ibuprofen enantiomers on a Nautilus-E chiral stationary phase with a grafted eremomycin antibiotic at high column loading is accompanied by distortion of the shape of chromatographic peaks. A model is proposed to explain this phenomenon. A number of factors are considered in the model: the ionization of ibuprofen in the mobile phase, the pH change in the mass transfer zone caused by ionization, and competitive adsorption involving buffer components. Simulations performed using this model within the theory of nonequilibrium chromatography allow the shape of chromatograms for large amounts of S- and R-ibuprofen samples to be predicted. The adsorption mechanism is found to be mainly ion-exchange. The contribution from the molecular adsorption of ibuprofen to the total retention is shown to be several percent.
2018-01-01
A binary ligand system composed of aliphatic carboxylic acids and primary amines of various chain lengths is commonly employed in diverse synthesis methods for CsPbBr3 nanocrystals (NCs). In this work, we have carried out a systematic study examining how the concentration of ligands (oleylamine and oleic acid) and the resulting acidity (or basicity) affects the hot-injection synthesis of CsPbBr3 NCs. We devise a general synthesis scheme for cesium lead bromide NCs which allows control over size, size distribution, shape, and phase (CsPbBr3 or Cs4PbBr6) by combining key insights on the acid–base interactions that rule this ligand system. Furthermore, our findings shed light upon the solubility of PbBr2 in this binary ligand system, and plausible mechanisms are suggested in order to understand the ligand-mediated phase control and structural stability of CsPbBr3 NCs. PMID:29381326
Coalescence preference and droplet size inequality during fluid phase segregation
Roy, Sutapa
2018-02-01
Using molecular dynamics simulations and scaling arguments, we investigate the coalescence preference dynamics of liquid droplets in a phase-segregating off-critical, single-component fluid. It is observed that the preferential distance of the product drop from its larger parent, during a coalescence event, gets smaller for large parent size inequality. The relative coalescence position exhibits a power-law dependence on the parent size ratio with an exponent q ≃ 3.1 . This value of q is in strong contrast with earlier reports 2.1 and 5.1 in the literature. The dissimilarity is explained by considering the underlying coalescence mechanisms.
Ternary equilibria in bismuth--indium--lead alloys
International Nuclear Information System (INIS)
Liao, K.C.; Johnson, D.L.; Nelson, R.C.
1975-01-01
The liquidus surface is characterized by three binary equilibria. One binary extends from the Pb--Bi peritectic to the Pb--In peritectic. The other two extend from In--Bi eutectics, merge at 50 at. percent Bi and 30 at. percent Pb, and end at the Bi--Pb eutectic. Based on analysis of ternary liquidus contours and vertical sections, it is suggested that solidification for high lead and very high indium alloys occurs from two-phase equilibria. Solidification from all other alloys occurs from three-phase equilibria. Four-phase solidification does not occur in this system
Journaux, B.; Brown, J. M.; Abramson, E.; Petitgirard, S.; Pakhomova, A.; Boffa Ballaran, T.; Collings, I.
2017-12-01
Water salt systems are predicted to be present in deep hydrosphere inside water-rich planetary bodies, following water/rock chemical interaction during early differentiation stages or later hydrothermal activity. Unfortunately the current knowledge of the thermodynamic and physical properties of aqueous salt mixtures at high pressure and high temperature is still insufficient to allow realistic modeling of the chemical or dynamic of thick planetary hydrospheres. Recent experimental results have shown that the presence of solutes, and more particularly salts, in equilibrium with high pressure ices have large effects on the stability fields, buoyancy and chemistry of all the phases present at these extreme conditions. Effects currently being investigated by our research group also covers ice melting curve depressions that depend on the salt species and incorporation of solutes inside the crystallographic lattice of high pressure ices. Both of these could have very important implication at the planetary scale, enabling thicker/deeper liquid oceans, and allowing chemical transportation through the high pressure ice layer in large icy worlds. We will present the latest results obtained in-situ using diamond anvil cell, coupled with Synchrotron X-Ray diffraction, Raman Spectroscopy and optical observations, allowing to probe the crystallographic structure, equations of state, partitioning and phase boundary of high pressure ice VI and VII in equilibrium with Na-Mg-SO4-Cl ionic species at high pressures (1-10 GPa). The difference in melting behavior depending on the dissolved salt species was characterized, suggesting differences in ionic speciation at liquidus conditions. The solidus P-T conditions were also measured as well as an increase of lattice volumes interpreted as an outcome of ionic incorporation in HP ice during incongruent crystallization. The measured phase diagrams, lattice volumes and important salt incorporations suggest a more complex picture of the
Energy Technology Data Exchange (ETDEWEB)
Kayser, R.F.
1993-08-13
The measurement capabilities to be developed include new apparatus for transport properties, thermodynamic properties, phase equilibria, and dielectric properties. Specific capabilities are: Thermal conductivity apparatus, vibrating wire viscometer, dual-sinker densimeter, high-temperature vibrating tube densimeter, dynamic phase equilibria apparatus, apparatus for dilute solutions, total-enthalpy flow calorimeter. Benchmark measurements were made (no data given) on pure and mixed alternative refrigerants and their mixtures with lubricants, and other fluids.
DEFF Research Database (Denmark)
Grenner, Andreas; Schmelzer, Jürgen; von Solms, Nicolas
2006-01-01
, and water. Furthermore, the predictive capabilities of the models are investigated for four ternary systems composed of these components, which exhibit complex liquid-liquid(-liquid) equilibria (LLLE). Various aspects of association models which have an influence in the results are studied for the PC......, both models perform overall similarly for the binary systems, although ESD shows a remarkably good behavior despite its simplicity and the use of only the two-site scheme for all associating compounds. The prediction of the LLE in the ternary systems water + octane + aniline and water + CHA + aniline......Two Wertheim-based association models, the simplified PC-SAFT and the Elliott-Suresh-Donohue (ESD) equation of state, are compared in this work for the description of vapor-liquid equilibria (VLE) and liquid-liquid equilibria (LLE) in binary systems of aniline, cyclohexylamine (CHA), hydrocarbons...
Density and Phase State of a Confined Nonpolar Fluid
Kienle, Daniel F.; Kuhl, Tonya L.
2016-07-01
Measurements of the mean refractive index of a spherelike nonpolar fluid, octamethytetracylclosiloxane (OMCTS), confined between mica sheets, demonstrate direct and conclusive experimental evidence of the absence of a first-order liquid-to-solid phase transition in the fluid when confined, which has been suggested to occur from previous experimental and simulation results. The results also show that the density remains constant throughout confinement, and that the fluid is incompressible. This, along with the observation of very large increases (many orders of magnitude) in viscosity during confinement from the literature, demonstrate that the molecular motion is limited by the confining wall and not the molecular packing. In addition, the recently developed refractive index profile correction method, which enables the structural perturbation inherent at a solid-liquid interface and that of a liquid in confinement to be determined independently, was used to show that there was no measurable excess or depleted mass of OMCTS near the mica surface in bulk films or confined films of only two molecular layers.
International Nuclear Information System (INIS)
Kareem, Mukhtar A.; Mjalli, Farouq S.; Hashim, Mohd Ali; Hadj-Kali, Mohamed K.O.; Ghareh Bagh, Fatemeh Saadat; Alnashef, Inas M.
2013-01-01
Highlights: • Ionic liquid analogues are introduced as potential replacements for ionic liquids. • Deep eutectic solvents presented in this work were successful for extracting aromatics. • Hand correlation was applied to ascertain the experimental measurements. • The NRTL thermodynamic model was capable for correlating the LLE experimental data. -- Abstract: In this work, the liquid–liquid extraction of toluene from hydrocarbons mixtures (toluene/heptane) was investigated using deep eutectic solvents as solvents. Ethyltriphenylphosphonium iodide as a salt with either ethylene glycol or sulfolane as hydrogen-bond donors (HBDs) were utilized for synthesizing six DESs. (Liquid + liquid) equilibria data were determined experimentally for the ternary system (toluene + heptane + DES) at (30, 40, 50, and 60) °C and atmospheric pressure. Hand correlation was applied to establish the reliability of the experimental data. In many cases the correlation factor is found close to unity which indicates high reliability of the data. The selectivities and distribution coefficients were used to determine the suitability of these DESs as solvents for this extraction process. Higher selectivities than those published for sulfolane as a commercial solvent were observed. The DES made from ethyltriphenylphosphonium iodide and sulfolane at salt:HBD of 1:4 showed the best separation capability at 30 °C. Thus, it was further characterized by measuring its viscosity and refractive index at a range of temperatures to help understand its physical behaviour needed for process design. The non-random two-liquid (NRTL) model was applied successfully to correlate the experimental tie-lines and to calculate the phase compositions of the ternary systems. It has been found that the third non-randomness parameter varies linearly with the HBD number of moles
International Nuclear Information System (INIS)
Lu, X.G.; Li, C.H.; Chen, L.Y.; Qiu, A.T.; Ding, W.Z.
2011-01-01
Highlights: → This paper is about the concept of designing the lower cost titanium alloy. → The thermodynamic database of Ti-Al-Cr-Mn system is built up by Calphad method. → The pseudobinary sections with Cr: Mn = 3:1 and Al = 3, 4.5 and 6.0 wt% are calculated. → This may provide the theoretical support for designing the lower cost titanium alloy. - Abstract: The Ti-Al-Cr-Mn system is a potentially useful system for lower cost titanium alloy development; however, there are few reports about the experimental phase diagrams and the thermodynamical assessment for this system. In this study, the previous investigations for the thermodynamic descriptions of the sub-systems in the Ti-Al-Cr-Mn system are reviewed, our previous assessment for the related sub-systems in this quaternary system is summarized, the thermodynamical database of this quaternary system is built up by directly extrapolating from all sub-systems assessed by means of the Calphad method, then the pseudobinary sections with Cr:Mn = 3:1 and Al = 0.0, 3.0, 4.5 and 6.0 wt% are calculated, respectively. These pseudobinary phase diagrams may provide the theoretical support for designing the lower cost titanium alloys with different microstructures (α, α + β, and β titanium alloy).
Coupling two-phase fluid flow with two-phase darcy flow in anisotropic porous media
Chen, J.; Sun, S.; Chen, Z.
2014-01-01
in the free fluid region and the two-phase Darcy law in the anisotropic porous medium region. A Robin-Robin domain decomposition method is used for the coupled Navier-Stokes and Darcy system with the generalized Beavers-Joseph-Saffman condition
Energy Technology Data Exchange (ETDEWEB)
Prausnitz, J.M.
1980-05-01
This research is concerned with the fundamental physical chemistry and thermodynamics of condensation of tars (dew points) from the vapor phase at advanced temperatures and pressures. Fundamental quantitative understanding of dew points is important for rational design of heat exchangers to recover sensible heat from hot, tar-containing gases that are produced in coal gasification. This report includes essentially six contributions toward establishing the desired understanding: (1) Characterization of Coal Tars for Dew-Point Calculations; (2) Fugacity Coefficients for Dew-Point Calculations in Coal-Gasification Process Design; (3) Vapor Pressures of High-Molecular-Weight Hydrocarbons; (4) Estimation of Vapor Pressures of High-Boiling Fractions in Liquefied Fossil Fuels Containing Heteroatoms Nitrogen or Sulfur; and (5) Vapor Pressures of Heavy Liquid Hydrocarbons by a Group-Contribution Method.
Thermodynamic Property Model of Wide-Fluid Phase Propane
Directory of Open Access Journals (Sweden)
I Made Astina
2007-05-01
Full Text Available A new thermodynamic property model for propane is expressed in form of the Helmholtz free energy function. It consists of eight terms of the ideal-gas part and eighteen terms of the residual part. Accurate experimental data of fluid properties and theoretical approach from the intermolecular potential were simultaneously considered in the development to insure accuracy and to improve reliability of the equation of state over wide range of pressures and temperatures. Based on the state range of experimental data used in the model development, the validity range is judged from the triple-point of 85.48 K to temperature of 450 K and pressure up to 60 MPa. The uncertainties with respect to different properties are estimated to be 0.03% in ideal-gas isobaric specific heat, 0.2% in liquid phase density, 0.3% in gaseous phase density 1% in specific heats, 0.1% in vapor-pressure except at very low temperatures, 0.05% in saturated-liquid density, 0.02% in speed of sound of the gaseous phase and 1% in speed of sound of the liquid phase.
Rapp, R. P.; Nishiyama, N.; Irifune, T.; Inoue, T.; Yamasaki, D.
2003-12-01
Ocean island basalts (OIBs) provide geochemical evidence for the presence of crustally-derived sedimentary material in the deep mantle plume source region for EM-type OIBs, and global seismic tomography provides us with dramatic images of subducted slabs, presumably carrying a sediment component, penetrating through the transition zone and into the lower mantle, in some cases to the core-mantle boundary. In an effort to better constrain the geochemical effects of deeply recycled sedimentary material in subduction zones, and their role in the petrogenesis of EM-type OIBs, we have undertaken a series of phase equlibria experiments in the multi-anvil apparatus at 10-25 GPa, using natural sediment lithologies as starting materials. The goal of these experiments is to identify the dominant phases in deeply subducted sediments, constrain their P-T stability limits, and to assess their role in crustal recycling and element redistribution in the deep mantle during subduction. The phase equilibria experiments were performed in a 2000-ton Kawai-type apparatus, using tungsten carbide cubes with 3 mm TEL and Cr-doped MgO and zirconia pressure media. A cylindrical lanthanum chromite heater was used, along with short (gold capsules to minimize thermal gradients and to retain the small amounts of water (< 1 wt%) present in the starting material, and long run-durations (12-48 hours) in order to facilitate future analyses of the dominant phases for key trace elements using the ion microprobe. Our preliminary results at 10-25 GPa indicate that K-hollandite (KalSi3O3) and stishovite are the primary high-pressure phases in the sediment composition, with subordinate garnet and an as-yet-unidentified (possibly hydrous) Al-silicate phase present as well. These results suggest that K-hollandite is the primary repository for incompatible elements (e.g., La, Ce, Sr, Ba, Rb, etc., and the heat-producing elements K, U and Th) in sedimentary material recycled into the deep mantle via
Study of phase equilibria and glass formation in the CaO-WO3-P2O5 system
International Nuclear Information System (INIS)
Bielis, I.Ya.
1980-01-01
The method of quenching has been used to investigate the liquidus surface of a portion of the CaO-WO 3 -P 2 O 5 system limited by the Ca(PO 3 ) 2 -W 2 O 3 (PO 4 ) 2 and CaWO 4 -Ca 2 P 2 O 7 cross-sections. The primary crystallization fields on the compounds: WO 3 , W 2 O 3 (PO 4 ) 2 , CaWO 4 , Ca 2 P 7 O 7 , Ca(PO 3 ) 2 are separated. The liquidus surface isotherms at 900, 1000, 1100 and 1200 deg C have been plotted on the concentration triangle plane. It has been found that the cross-sections of W 2 O 3 (PO 4 ) 2 -Ca(PO 3 ) 2 , WO 3 -Ca(PO 3 ) 2 , WO 3 -Ca 2 P 2 O 7 and CaWO 4 -Ca 2 P 2 O 7 are eutectic-type quasi-binary systems. The position of the glass transition region in the CaO-WO 3 -P 2 O 5 system has been determined for the treatment temperatures of 1100, 1200 and 1300 deg C and a correlation between the configuration of the glass transition region and the phase diagram of the system has been demonstrated [ru
Wilczura-Wachnik, Hanna; Jónsdóttir, Svava Osk
2003-04-01
A method for calculating interaction parameters traditionally used in phase-equilibrium computations in low-molecular systems has been extended for the prediction of solvent activities of aromatic polymer solutions (polystyrene+methylcyclohexane). Using ethylbenzene as a model compound for the repeating unit of the polymer, the intermolecular interaction energies between the solvent molecule and the polymer were simulated. The semiempirical quantum chemical method AM1, and a method for sampling relevant internal orientations for a pair of molecules developed previously were used. Interaction energies are determined for three molecular pairs, the solvent and the model molecule, two solvent molecules and two model molecules, and used to calculated UNIQUAC interaction parameters, a(ij) and a(ji). Using these parameters, the solvent activities of the polystyrene 90,000 amu+methylcyclohexane system, and the total vapor pressures of the methylcyclohexane+ethylbenzene system were calculated. The latter system was compared to experimental data, giving qualitative agreement. Figure Solvent activities for the methylcylcohexane(1)+polystyrene(2) system at 316 K. Parameters aij (blue line) obtained with the AM1 method; parameters aij (pink line) from VLE data for the ethylbenzene+methylcyclohexane system. The abscissa is the polymer weight fraction defined as y2(x1)=(1mx1)M2/[x1M1+(1mx1)M2], where x1 is the solvent mole fraction and Mi are the molecular weights of the components.
Barragán, Rosa María; Núñez, José; Arellano, Víctor Manuel; Nieva, David
2016-03-01
Exploration and exploitation of geothermal resources require the estimation of important physical characteristics of reservoirs including temperatures, pressures and in situ two-phase conditions, in order to evaluate possible uses and/or investigate changes due to exploitation. As at relatively high temperatures (>150 °C) reservoir fluids usually attain chemical equilibrium in contact with hot rocks, different models based on the chemistry of fluids have been developed that allow deep conditions to be estimated. Currently either in water-dominated or steam-dominated reservoirs the chemistry of steam has been useful for working out reservoir conditions. In this context, three methods based on the Fischer-Tropsch (FT) and combined H2S-H2 (HSH) mineral-gas reactions have been developed for estimating temperatures and the quality of the in situ two-phase mixture prevailing in the reservoir. For these methods the mineral buffers considered to be controlling H2S-H2 composition of fluids are as follows. The pyrite-magnetite buffer (FT-HSH1); the pyrite-hematite buffer (FT-HSH2) and the pyrite-pyrrhotite buffer (FT-HSH3). Currently from such models the estimations of both, temperature and steam fraction in the two-phase fluid are obtained graphically by using a blank diagram with a background theoretical solution as reference. Thus large errors are involved since the isotherms are highly nonlinear functions while reservoir steam fractions are taken from a logarithmic scale. In order to facilitate the use of the three FT-HSH methods and minimize visual interpolation errors, the EQUILGAS program that numerically solves the equations of the FT-HSH methods was developed. In this work the FT-HSH methods and the EQUILGAS program are described. Illustrative examples for Mexican fields are also given in order to help the users in deciding which method could be more suitable for every specific data set.
DEFF Research Database (Denmark)
Awan, Javeed; Tsivintzelis, Ioannis; Breil, Martin
2010-01-01
with the cubic-plus-association (CPA) equation of state. Useful remarks are presented about the application of Henry’s constant values to estimate binary interaction parameters of the CPA EoS for the description of whole vapor−liquid equilibria. The results using CPA EoS show that the cross association...
Tellinghuisen, Joel
2010-01-01
Liquid-vapor, solid-vapor, and solid-liquid-vapor equilibria are studied for the pure substance water, using modern equipment that includes specially fabricated glass cells. Samples are evaporatively frozen initially, during which they typically supercool to -5 to -10 [degrees]C before spontaneously freezing. Vacuum pumping lowers the temperature…
Czech Academy of Sciences Publication Activity Database
Teodorescu, M.; Barhala, A.; Wichterle, Ivan
2005-01-01
Roč. 49, č. 11 (2005), s. 927-934 ISSN 0035-3930 R&D Projects: GA ČR(CZ) GA104/03/1555; GA AV ČR(CZ) IAA4072102 Institutional research plan: CEZ:AV0Z40720504 Keywords : vapor liquid equilibria * description Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 0.226, year: 2005
Numerical simulation of complex multi-phase fluid of casting process and its applications
Directory of Open Access Journals (Sweden)
CHEN Li-liang
2006-05-01
Full Text Available The fluid of casting process is a typical kind of multi-phase flow. Actually, many casting phenomena have close relationship with the multi-phase flow, such as molten metal filling process, air entrapment, slag movement, venting process of die casting, gas escaping of lost foam casting and so on. Obviously, in order to analyze these phenomena accurately, numerical simulation of the multi-phase fluid is necessary. Unfortunately, so far, most of the commercial casting simulation systems do not have the ability of multi-phase flow modeling due to the difficulty in the multi-phase flow calculation. In the paper, Finite Different Method (FDM technique was adopt to solve the multi-phase fluid model. And a simple object of the muiti-phase fluid was analyzed to obtain the fluid rates of the liquid phase and the entrapped air phase.
Santoso, Imam; Taskinen, Pekka
2016-08-01
Knowledge of phase equilibria in the TeO2-Na2O-SiO2 system at elevated temperatures is important for ceramic and glass industries and for improving the operation of the smelting process of tellurium-containing materials. A review of previous investigations has indicated, however, that there are omissions in the available datasets on the liquidus temperatures of the molten TeO2-Na2O-SiO2 mixtures. The employed experimental method included equilibration of mixtures made from high purity oxides, rapid quenching of the equilibrated samples in water and followed by compositional analysis of the phases using an electron probe X-ray microanalyzer. The liquidus and phase equilibria in the TeO2-SiO2, TeO2-Na2O, and SiO2-TeO2-Na2O systems have been studied for a wide range of compositions between 723 K (500 °C) and 1473 K (1200 °C) at TeO2, SiO2, and Na2SiO3 saturations. New data have been generated in the SiO2-TeO2-Na2O system at SiO2 saturation. The liquidus compositions in the TeO2-Na2O system at TeO2 saturation have been compared with the previous data and an assessed phase diagram.
Dynamic dielectrophoresis model of multi-phase ionic fluids.
Directory of Open Access Journals (Sweden)
Ying Yan
Full Text Available Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.
Dynamic dielectrophoresis model of multi-phase ionic fluids.
Yan, Ying; Luo, Jing; Guo, Dan; Wen, Shizhu
2015-01-01
Ionic-based dielectrophoretic microchips have attracted significant attention due to their wide-ranging applications in electro kinetic and biological experiments. In this work, a numerical method is used to simulate the dynamic behaviors of ionic droplets in a microchannel under the effect of dielectrophoresis. When a discrete liquid dielectric is encompassed within a continuous fluid dielectric placed in an electric field, an electric force is produced due to the dielectrophoresis effect. If either or both of the fluids are ionic liquids, the magnitude and even the direction of the force will be changed because the net ionic charge induced by an electric field can affect the polarization degree of the dielectrics. However, using a dielectrophoresis model, assuming ideal dielectrics, results in significant errors. To avoid the inaccuracy caused by the model, this work incorporates the electrode kinetic equation and defines a relationship between the polarization charge and the net ionic charge. According to the simulation conditions presented herein, the electric force obtained in this work has an error exceeding 70% of the actual value if the false effect of net ionic charge is not accounted for, which would result in significant issues in the design and optimization of experimental parameters. Therefore, there is a clear motivation for developing a model adapted to ionic liquids to provide precise control for the dielectrophoresis of multi-phase ionic liquids.
Fluid dynamics of airlift reactors; Two-phase friction factors
Energy Technology Data Exchange (ETDEWEB)
Garcia-Calvo, E. (Ingenieria Quimica, Facultad de Ciencias, Univ. de Alcala, 28871 Alcala de Henares (Spain))
1992-10-01
Airlift loop reactors (ALR) are useful equipment in biotechnology in a wide range of uses, however their design is not a simple task since prediction of fluid dynamics in these reactors is difficult. Most of the different strategies found in the literature in order to predict two main parameters, namely, gas holdup and liquid velocity, are based on energy or momentum balances. The balances include frictional effects, and it is not yet clear how to predict these effects. The objective of this article is to show how criteria corresponding to one-phase flow may be used in order to predict the frictional effects in ALRs. Based on a model proposed by Garcia-Calvo (1989, 1991), we simulated experimental data of liquid velocity profiles and gas holdup obtained by Young et al. in an ALR with two different configurations. Experimental data obtained in other three external ALRs with different shapes and sizes are also simulated.
DEFF Research Database (Denmark)
Grenner, Andreas; Tsivintzelis, Ioannis; Economou, Ioannis
2008-01-01
for the models were taken from literature or estimated in this work. Generalized pure-component parameters were fitted to pure-component vapor-pressure and liquid-density data. For the majority of the mixtures examined, satisfactory results were obtained. For a number of mixtures, different modeling approaches...... were applied to improve the results, such as incorporation of cross-association between nonself-associating fluids or induced association for mixtures of polar nonassociating and self-associating fluids. For both models, the overall deviations from experimental data are similar, and none of the models...
Roth, R. S.; Ettlinger, L. D.; Parker, H. S.
1987-06-01
Four new compounds were found in the BaO-TiO 2-Nb 2O 5 system, each containing orth ≈ 9.9A˚, b mon ≈ a orth ≈ 17A˚). Ba 14Ti 40Nb 2O 99 is a 20-layer orthorhombic phase, Cmc*, withc ≈ 46.86A˚. Ba 10Ti 28Nb 2O 72 is a 7-layer monoclinic phase, C2m, c ≈ 16.72A˚, β ≈ 101.2°. Ba 18Ti 54Nb 2O 132 is a 13-layer monoclinic phase, C2m, c ≈ 30.65A˚, β ≈ 96°. The compositions were derived by analogy to the layers in Ba 4Ti 13 O 30 and Ba 6Ti 17O 40 and are consistent with limited phase equilibria data.
International Nuclear Information System (INIS)
Gusev, A.I.
1996-01-01
The data on phase equilibria in the M-X-X' and M-Al-X ternary systems (M-transition metal of 3 to 8 groups, X-B,C, N, Si) have been considered and summarized. modern oxygen-free advanced ceramics is based on these ternary systems. Phase diagrams of the 130 ternary systems have been discussed, more than two hundred ternary phases forming in these systems have been systematized and described. The typical crystal structures of ternary compounds and phase have been considered, the common and distinctive features of these structures have been analysed. It has been shown that the ternary compounds with octahedral atomic groups XM 6 have a regions of homogeneity. Refs. 240
Institutions, Equilibria and Efficiency
DEFF Research Database (Denmark)
Competition and efficiency is at the core of economic theory. This volume collects papers of leading scholars, which extend the conventional general equilibrium model in important ways. Efficiency and price regulation are studied when markets are incomplete and existence of equilibria in such set...... in OLG, learning in OLG and in games, optimal pricing of derivative securities, the impact of heterogeneity...
Lennard-Jones fluids in two-dimensional nano-pores. Multi-phase coexistence and fluid structure
Yatsyshin, Petr; Savva, Nikos; Kalliadasis, Serafim
2014-03-01
We present a number of fundamental findings on the wetting behaviour of nano-pores. A popular model for fluid confinement is a one-dimensional (1D) slit pore formed by two parallel planar walls and it exhibits capillary condensation (CC): a first-order phase transition from vapour to capillary-liquid (Kelvin shift). Capping such a pore at one end by a third orthogonal wall forms a prototypical two-dimensional (2D) pore. We show that 2D pores possess a wetting temperature such that below this temperature CC remains of first order, above it becomes a continuous phase transition manifested by a slab of capillary-liquid filling the pore from the capping wall. Continuous CC exhibits hysteresis and can be preceded by a first-order capillary prewetting transition. Additionally, liquid drops can form in the corners of the 2D pore (remnant of 2D wedge prewetting). The three fluid phases, vapour, capillary-liquid slab and corner drops, can coexist at the pore triple point. Our model is based on the statistical mechanics of fluids in the density functional formulation. The fluid-fluid and fluid-substrate interactions are dispersive. We analyze in detail the microscopic fluid structure, isotherms and full phase diagrams. Our findings also suggest novel ways to control wetting of nano-pores. We are grateful to the European Research Council via Advanced Grant No. 247031 for support.
International Nuclear Information System (INIS)
Holesinger, T.
1993-01-01
The solid solution region and reaction kinetics of the Bi 2 Sr 2 CaCu 2 O y (2212) superconductor were examined as a function of temperature and oxygen partial pressure. Crystallization studies from the glassy and molten states were undertaken to determine the phase transformation and kinetics associated with the formation of 2212 and other competing phases. Crystallization of nominal 2212 glasses was found to proceed in two steps with the formation of Bi 2 Sr 2-x Ca x CuO y (2201) and Cu 2 O followed by Bi 2 Sr 3-x Ca x O y , CaO, and SrO. The 2212 phase converts from the 2201 phase with increasing temperatures. However, its formation below 800 C was kinetically limited. At 800 C and above, a nearly full conversion to the 2212 phase was achieved after only one minute although considerably longer anneal times were necessary for the system to reach equilibrium. In low oxygen partial pressures, the solidus is reduced to approximately 750 C. Solidification studies revealed an eutectic structure separating the incongruently melting 2212/2201 phases at high oxygen partial pressures from the congruently melting Bi 2 Sr 3-x Ca x O y (23x) and Bi 2 Sr 2-x Ca x O y (22x) phases present at low oxygen partial pressures. During solidification in various oxygen partial pressures, the separation of CaO in the melt and the initial crystallization of alkaline-earth cuprates leaves behind a Bi-rich liquid from which it is impossible to form single-phase 2212. Hence, significant amounts of 2201 were also present in these samples. These problems could be reduced by melt processing in inert atmospheres. Bulk 2212 material produced in this manner was found to possess high transition temperatures, high intergranular critical current densities below 20K, and modest critical current densities at 77K
Energy Technology Data Exchange (ETDEWEB)
Perfetti, E
2006-11-15
{sub 2}O-H{sub 2}S binary system using a symmetrical approach. Calculated phase equilibria in the H{sub 2}O-H{sub 2}S, H{sub 2}O-CO{sub 2}, H{sub 2}O-CH{sub 4} systems reproduced the experimental data within 7% of errors. Except for the H{sub 2}O-CH{sub 4} system, binary interactions parameters estimated by fitting experimental data are closed to zero. (author)
International Nuclear Information System (INIS)
Liang, Y.; Hoshino, K.
2015-01-01
Highlights: • Solubilities of Au–Ag solid solutions are calculated at wide conditions. • Ratios of dissolved Au and Ag depend only on pH at intermediate pH. • Fluid conditions for high gold finenesses have been examined. - Abstract: Concentrations of dissolved gold and silver species in hydrothermal fluids equilibrated with Au–Ag solid solutions have been calculated at wide conditions on the well known fO 2 –pH spaces. Ratios of the total concentrations of dissolved gold and silver species (∑Au/∑Ag) are higher as pH higher and fO 2 lower. The ratios are constant at very low and high pH conditions where major dissolved species of both gold and silver are chloride complexes and thio complexes, respectively, while the ratios practically depend only on pH at intermediate pH conditions where Au(HS) 2 − and AgCl 2 − are major. The calculated results indicate that the solid solutions of high gold finenesses may precipitate from the fluids of low ratios of the total concentrations of dissolved gold and silver species when the conditions are (1) low pH’s and/or (2) high concentration ratios of dissolved chlorine and sulfur and/or (3) high temperatures
Aland, Sebastian; Lowengrub, John; Voigt, Axel
2012-10-01
Colloid particles that are partially wetted by two immiscible fluids can become confined to fluid-fluid interfaces. At sufficiently high volume fractions, the colloids may jam and the interface may crystallize. The fluids together with the interfacial colloids form an emulsion with interesting material properties and offer an important route to new soft materials. A promising approach to simulate these emulsions was presented in Aland et al. [Phys. Fluids 23, 062103 (2011)], where a Navier-Stokes-Cahn-Hilliard model for the macroscopic two-phase fluid system was combined with a surface phase-field-crystal model for the microscopic colloidal particles along the interface. Unfortunately this model leads to spurious velocities which require very fine spatial and temporal resolutions to accurately and stably simulate. In this paper we develop an improved Navier-Stokes-Cahn-Hilliard-surface phase-field-crystal model based on the principles of mass conservation and thermodynamic consistency. To validate our approach, we derive a sharp interface model and show agreement with the improved diffuse interface model. Using simple flow configurations, we show that the new model has much better properties and does not lead to spurious velocities. Finally, we demonstrate the solid-like behavior of the crystallized interface by simulating the fall of a solid ball through a colloid-laden multiphase fluid.
Evaluating measurement uncertainty in fluid phase equilibrium calculations
van der Veen, Adriaan M. H.
2018-04-01
The evaluation of measurement uncertainty in accordance with the ‘Guide to the expression of uncertainty in measurement’ (GUM) has not yet become widespread in physical chemistry. With only the law of the propagation of uncertainty from the GUM, many of these uncertainty evaluations would be cumbersome, as models are often non-linear and require iterative calculations. The methods from GUM supplements 1 and 2 enable the propagation of uncertainties under most circumstances. Experimental data in physical chemistry are used, for example, to derive reference property data and support trade—all applications where measurement uncertainty plays an important role. This paper aims to outline how the methods for evaluating and propagating uncertainty can be applied to some specific cases with a wide impact: deriving reference data from vapour pressure data, a flash calculation, and the use of an equation-of-state to predict the properties of both phases in a vapour-liquid equilibrium. The three uncertainty evaluations demonstrate that the methods of GUM and its supplements are a versatile toolbox that enable us to evaluate the measurement uncertainty of physical chemical measurements, including the derivation of reference data, such as the equilibrium thermodynamical properties of fluids.
DEFF Research Database (Denmark)
Enz, Stephanie; Thomsen, Jon Juel
2011-01-01
to improve accuracy, precision, and robustness of CFMs. A simple mathematical model of a fluid-conveying pipe is formulated and the effect of pulsating fluid flow is analyzed using a multiple time scaling perturbation analysis. The results are simple analytical predictions for the transverse pipe...... and uncontrolled during CFM operation by feedback control. The analytical predictions offer an immediate insight into how fluid pulsation affects phase shift, which is a quantity measured by CFMs to estimate the mass flow, and lead to hypotheses for more complex geometries, i.e. industrial CFMs. The validity...... displacement and approximate axial shift in vibration phase. The analytical predictions are tested against pure numerical solution using representative examples, showing good agreement. Fluid pulsations are predicted not to influence CFM accuracy, since proper signal filtering is seen to allow...
Khater, Syame; Lozac'h, Marie-Anne; Adam, Isabelle; Francotte, Eric; West, Caroline
2016-10-07
Analysis and production of enantiomerically pure compounds is a major topic of interest when active pharmaceutical ingredients are concerned. Enantioselective chromatography has become a favourite both at the analytical and preparative scales. High-performance liquid chromatography (HPLC) and supercritical fluid chromatography (SFC) are dominating the scene and are often seen as complementary techniques. Nowadays, for economic and ecologic reasons, SFC may be preferred over normal-phase HPLC (NPLC) as it allows significant reductions in solvent consumption. However, the transfer of NPLC methods to SFC is not always straightforward. In this study, we compare the retention of achiral molecules and separation of enantiomers under supercritical fluid (carbon dioxide with ethanol or isopropanol) and liquid normal-phase (heptane with ethanol or isopropanol) elution modes with polysaccharide stationary phases in order to explore the differences between the retention and enantioseparation properties between the two modes. Chemometric methods (namely quantitative structure-retention relationships and discriminant analysis) are employed to compare the results obtained on a large set of analytes (171 achiral probes and 97 racemates) and gain some understanding on the retention and separation mechanisms. The results indicate that, contrary to popular belief, carbon dioxide - solvent SFC mobile phases are often weaker eluents than liquid mobile phases. It appears that SFC and NPLC elution modes provide different retention mechanisms. While some enantioseparations are unaffected, facilitating the transfer between the two elution modes, other enantioseparations may be drastically different due to different types and strength of interactions contributing to enantioselectivity. Copyright © 2016 Elsevier B.V. All rights reserved.
Premaratna, R; Ragupathy, A; Miththinda, J K N D; de Silva, H J
2013-07-01
Fluid leakage remains the hallmark of dengue hemorrhagic fever (DHF). The applicability of currently recommended predictors of DHF for adults with dengue is questionable as these are based on studies conducted in children. One hundred and two adults with dengue were prospectively followed up to investigate whether home-based or hospital-based early phase fluid resuscitation has an impact on clinical and hematological parameters used for the diagnosis of early or critical phase fluid leakage. In the majority of subjects, third space fluid accumulation (TSFA) was detected on the fifth and sixth days of infection. The quantity and quality of fluids administered played no role in TSFA. A reduction in systolic blood pressure appeared to be more helpful than a reduction in pulse pressure in predicting fluid leakage. TSFA occurred with lower percentage rises in packed cell volume (PCV) than stated in the current recommendations. A rapid reduction in platelets, progressive reduction in white blood cells, percentage rises in Haemoglobin (Hb), and PCV, and rises in aspartate aminotransferase and alanine aminotransferase were observed in patients with TSFA and therefore with the development of severe illness. Clinicians should be aware of the limitations of currently recommended predictors of DHF in adult patients who are receiving fluid resuscitation. Copyright © 2013 International Society for Infectious Diseases. Published by Elsevier Ltd. All rights reserved.
Peters, Bruce; Wingo, Dennis; Bower, Mark; Amborski, Robert; Blount, Laura; Daniel, Alan; Hagood, Bob; Handley, James; Hediger, Donald; Jimmerson, Lisa
1990-01-01
The separation of fluid phases in microgravity environments is of importance to environmental control and life support systems (ECLSS) and materials processing in space. A successful fluid phase separation experiment will demonstrate a proof of concept for the separation technique and add to the knowledge base of material behavior. The phase separation experiment will contain a premixed fluid which will be exposed to a microgravity environment. After the phase separation of the compound has occurred, small samples of each of the species will be taken for analysis on the Earth. By correlating the time of separation and the temperature history of the fluid, it will be possible to characterize the process. The experiment has been integrated into space available on a manifested Get Away Special (GAS) experiment, CONCAP 2, part of the Consortium for Materials Complex Autonomous Payload (CAP) Program, scheduled for STS-42. The design and the production of a fluid phase separation experiment for rapid implementation at low cost is presented.
Reliable Actuator for Cryo Propellant Fluid Control, Phase II
National Aeronautics and Space Administration — Fluid handling applications in cryogenic and extreme environments require reliable actuation technology that can handle extreme temperatures, mechanical bind-up from...
Energy Technology Data Exchange (ETDEWEB)
Silva, Ciro Rodolfo Santos; Duarte, Lindemberg de Jesus Nogueira [Universidade Federal do Rio Grande do Norte (UFRN), Natal, RN (Brazil); Santos, Luiz Carlos Lobato [Universidade Federal da Bahia (UFBA), BA (Brazil)
2012-07-01
Through a thermodynamic approach of liquid-vapor separation it is possible to provide for a given load, of known composition and given temperature and pressure conditions, which are the volumes and the compositions of liquid and vapor phases in equilibrium. In this sense, the aim of this work is to analyze the separation conditions of the fluids produced in the well 1-FMO-001-BA, belonging to the Field School Project (ANP / UFBA), through a thermodynamic approach of phase equilibrium. This Well is characterized by being in an advanced stage of exploration with low oil and high gas production. Initially, the overall composition of the gas produced from the 1-FMO-001-BA was quantified by gas chromatography and its composition was similar to a typical natural gas found in the Reconcavo's basin. Then, the equilibrium constants were determined by Wilson empirical correlation, which could enable the determination of the dead oil composition. This oil showed low concentration of light hydrocarbons (e.g., methane, etc.) and moderate concentrations of heavy components (e.g., C{sub 10} {sub +}). Moreover, the original composition of the fluid that reaches the separator vessel had a similar chemical composition to the outlet gaseous stream of the separator vessel, proving that the Fazenda Mamoeiro's reservoir is classified as a gas reservoir. Finally, it was determined the relative density of the gas ({gamma} g = 0.8264), the specific gravity of the dead oil ({gamma} {sub o} = 0.7542), the API gravity (56.13) and gas-oil ratio (GOR 950.98 m{sup 3}std / m{sup 3}std), which are consistent with the data provided by PETROBRAS. (author)
International Nuclear Information System (INIS)
Yuan Xiaoming; Zhang Lijun; Du Yong; Xiong Wei; Tang Ying; Wang Aijun; Liu Shuhong
2012-01-01
Both two-sublattice (2SL) and four-sublattice (4SL) models in the framework of the compound energy formalism can be used to describe the fcc ordered/disordered transitions. When transferring the parameters of 2SL disregarding the metastable ordered states into those of 4SL, inconsistence in either stable or metastable phase diagrams could appear, as detected in both Al–Ni and Ni–Si systems. To avoid such a kind of drawback, this behavior was analyzed and investigated in the Ni–Si and Al–Ni systems with the aid of first–principle calculations. Furthermore, a new approach considering both the stable and metastable fcc ordered phase equilibria deduced from the first–principles calculations was proposed to perform a reliable thermodynamic modeling for the fcc ordered/disordered transition. The Ni–Si system was then thermodynamically assessed using the presently proposed approach. The good agreement between the calculation and experiments demonstrates the reliability of the proposed approach. It is expected that the approach is valid for other systems showing complex ordered/disordered transitions. - Highlights: ► We discuss the drawbacks of order/disorder modeling in the Ni–Si and Al–Ni systems. ► We perform ab initio calculation of thermodynamic properties in the Ni–Si system. ► A CALPHAD–type approach is proposed to model the fcc ordered/disordered transition. ► The Ni–Si system was thermodynamically assessed using the new approach.
Malbrain, Manu L N G; Van Regenmortel, Niels; Saugel, Bernd; De Tavernier, Brecht; Van Gaal, Pieter-Jan; Joannes-Boyau, Olivier; Teboul, Jean-Louis; Rice, Todd W; Mythen, Monty; Monnet, Xavier
2018-05-22
In patients with septic shock, the administration of fluids during initial hemodynamic resuscitation remains a major therapeutic challenge. We are faced with many open questions regarding the type, dose and timing of intravenous fluid administration. There are only four major indications for intravenous fluid administration: aside from resuscitation, intravenous fluids have many other uses including maintenance and replacement of total body water and electrolytes, as carriers for medications and for parenteral nutrition. In this paradigm-shifting review, we discuss different fluid management strategies including early adequate goal-directed fluid management, late conservative fluid management and late goal-directed fluid removal. In addition, we expand on the concept of the "four D's" of fluid therapy, namely drug, dosing, duration and de-escalation. During the treatment of patients with septic shock, four phases of fluid therapy should be considered in order to provide answers to four basic questions. These four phases are the resuscitation phase, the optimization phase, the stabilization phase and the evacuation phase. The four questions are "When to start intravenous fluids?", "When to stop intravenous fluids?", "When to start de-resuscitation or active fluid removal?" and finally "When to stop de-resuscitation?" In analogy to the way we handle antibiotics in critically ill patients, it is time for fluid stewardship.
Directory of Open Access Journals (Sweden)
Asselineau L.
2006-11-01
Full Text Available Pour concevoir et optimiser les principales opérations de séparation (particulièrement les distillations avec ou sans solvant et l'extraction liquide-liquide on doit disposer de méthodes de corrélation ou, mieux, de prédiction des équilibres entre phases. A basse pression, et pour les mélanges d'hydrocarbures, les résultats présentés permettent la prévision des coefficients d'équilibre, même pour les séparations les plus délicates. En présence de constituants polaires, les données expérimentales d'équilibre liquide-liquide et liquide-vapeur de mélanges binaires et ternaires peuvent être simultanément corrélées dans le but de simuler et d'optimiser les distillations azéotropiques ou extractives. Sous haute pression, et particulièrement aux abords immédiats du point critique, le choix d'une équation d'état conduit à un traitement unitaire des phases en présence et permet, en particulier, la prédiction du lieu des points critiques des mélanges d'hydrocarbures et la corrélation de ce lieu en présence de solvants polaires. To determine and optimize the main separation operations (in particular distillations with or without a solvent, and liquid-liquid extraction correlation methods must be available or, better yet, methods of predicting phase equilibria. At low pressure and for hydrocarbon mixtures, the results described make the prediction of equilibrium coefficients possible, even for the most delicate separation. In the presence of polar constituents, the experimental data for the liquid-liquid and liquid-vapor equilibrium of binary and ternary mixtures can be simultaneously correlaten so as to simulate and optimize azeotropic or extractive distillations. Under high pressure and especially in the immediate vicinityof the critical point, the choice of an equation of state leads ta a unit treatment of the phases present and, in particular, makes it possible to predict the location of critical points in hydrocarbon
Introduction to supercritical fluids a spreadsheet-based approach
Smith, Richard; Peters, Cor
2013-01-01
This text provides an introduction to supercritical fluids with easy-to-use Excel spreadsheets suitable for both specialized-discipline (chemistry or chemical engineering student) and mixed-discipline (engineering/economic student) classes. Each chapter contains worked examples, tip boxes and end-of-the-chapter problems and projects. Part I covers web-based chemical information resources, applications and simplified theory presented in a way that allows students of all disciplines to delve into the properties of supercritical fluids and to design energy, extraction and materials formation systems for real-world processes that use supercritical water or supercritical carbon dioxide. Part II takes a practical approach and addresses the thermodynamic framework, equations of state, fluid phase equilibria, heat and mass transfer, chemical equilibria and reaction kinetics of supercritical fluids. Spreadsheets are arranged as Visual Basic for Applications (VBA) functions and macros that are completely (source code) ...
International Nuclear Information System (INIS)
Scheffel, J.
1982-04-01
Ideal MHD-equilibria for the toroidal EXTRAP configuration have been computed with an equilibrium code. The free-boundary prob- lem is solved by using the condition that the current density is proportional to r on a flux surface. It is found that the toroidal Z-pinch, initially induced in the central zero-field region of a transverse octupole field, drifts radially outwards producing an inverse -D shaped cross-section. The plasma current of this high- beta equilibrium may be increased if the plasma is pushed back by altering the external confining magnetic field as demonstrated. (Author)
Resurrecting Equilibria Through Cycles
DEFF Research Database (Denmark)
Barnett, Richard C.; Bhattacharya, Joydeep; Bunzel, Helle
equilibria because they asymptotically violate some economic restriction of the model. The literature has always ruled out such paths. This paper studies a pure-exchange monetary overlapping generations economy in which real balances cycle forever between momentary equilibrium points. The novelty is to show...... that segments of the offer curve that have been previously ignored, can in fact be used to produce asymptotically valid cyclical paths. Indeed, a cycle can bestow dynamic validity on momentary equilibrium points that had erstwhile been classified as dynamically invalid....
Reliable Actuator for Cryo Propellant Fluid Control, Phase I
National Aeronautics and Space Administration — Cryogenic fluid handling applications require a reliable actuation technology that can handle very low temperatures. A novel EM hammer drive technology is proposed...
Passive Devices for Advanced Fluid Management aboard Spacecraft, Phase I
National Aeronautics and Space Administration — Acute challenges are faced by the designers of fluid systems for spacecraft because of the persistently unfamiliar and unforgiving low-g environment. For example,...
Institutions, Equilibria and Efficiency
DEFF Research Database (Denmark)
Competition and efficiency is at the core of economic theory. This volume collects papers of leading scholars, which extend the conventional general equilibrium model in important ways. Efficiency and price regulation are studied when markets are incomplete and existence of equilibria in such set......Competition and efficiency is at the core of economic theory. This volume collects papers of leading scholars, which extend the conventional general equilibrium model in important ways. Efficiency and price regulation are studied when markets are incomplete and existence of equilibria...... in such settings is proven under very general preference assumptions. The model is extended to include geographical location choice, a commodity space incorporating manufacturing imprecision and preferences for club-membership, schools and firms. Inefficiencies arising from household externalities or group...... membership are evaluated. Core equivalence is shown for bargaining economies. The theory of risk aversion is extended and the relation between risk taking and wealth is experimentally investigated. Other topics include: determinacy in OLG with cash-in-advance constraints, income distribution and democracy...
Goso, Xolisa; Nell, Johannes; Petersen, Jochen
The current liquidus surface and phase equilibria established in air for fluxed titaniferous magnetite (titanomagnetite) slags conforming to a composition of 37.19% TiO2, 19.69% SiO2, 13.12% Al2O3, and 30.00% of various ratios of CaO+MgO were reviewed at applicable PO2 using FactSage simulation and phase composition of a real plant titanomagnetite slag. The testwork included the incorporation into FactSage of a private MgTi2O5-Al2TiO5 pseudobrookite solution model. The results of the investigation showed that the liquidus surface and Ti3+/ Ti4+ mass fraction ratio increased with decreasing the PO2, At low PO2, perovskite crystallizes as a primary phase at high CaO content. The spinel solution, i.e. (Mg)(Al,Ti)O4, generally crystallizes as the primary phase at high MgO contents, though it is replaced by MgTi2O5-Al2TiO5 solution at PO2 of 10-10 atm to 10-15 atm. An intermediate equilibrium phase diagram established at PO2 of 10-16 atm is proposed. This phase diagram does not show the observed primary phase crystallization competition, however, the phase composition of a real titanomagnetite slag produced by Evraz Highveld Steel and Vanadium Corporation in South Africa does show primary phase crystallization competition between (Mg)(Al,Ti)2O4 and MgTi2O5-Al2TiO5. Smelting involving such slags is likely conducted around the transition PO2, i.e. PO2 of about 10-16 atm. Complex modelling with MgTi2O5, Al2TiO5 and Ti3O5 end members and experiments are underway to verify and update the intermediate phase diagram.
Thermo-fluid dynamics of two-phase flow
Ishii, Mamoru; Ishii, Mamoru; Ishii, M
2006-01-01
Provides a very systematic treatment of two phase flow problems from a theoretical perspectiveProvides an easy to follow treatment of modeling and code devlopemnt of two phase flow related phenomenaCovers new results of two phase flow research such as coverage of fuel cells technology.
Smoothed particle hydrodynamics model for phase separating fluid mixtures. I. General equations
Thieulot, C; Janssen, LPBM; Espanol, P
We present a thermodynamically consistent discrete fluid particle model for the simulation of a recently proposed set of hydrodynamic equations for a phase separating van der Waals fluid mixture [P. Espanol and C.A.P. Thieulot, J. Chem. Phys. 118, 9109 (2003)]. The discrete model is formulated by
Plasma-treated carbonyl iron particles as a dispersed phase in magnetorheological fluids
Sedlačík, M.; Pavlínek, V.; Lehocký, M.; Mráček, A.; Grulich, O.; Švrčinová, P. (Petra); Filip, P. (Petr); Vesel, A.
2011-01-01
The aim of this paper is to document suitability of plasma-treated carbonyl iron particles as a dispersed phase in magnetorheological fluids. Surface-modified carbonyl iron particles were prepared via their exposure to 50% argon and 50% octafluorocyclobutane plasma. The X-ray photoelectron spectroscopy was used for analysis of chemical bonding states in the surface layer. Plasma-treated particles were adopted for a dispersed phase in magnetorheological (MR) fluids, and the MR behaviour was in...
Fluid-elastic force measurements acting on a tube bundle in two-phase cross flow
International Nuclear Information System (INIS)
Inada, Fumio; Kawamura, Koji; Yasuo, Akira
1996-01-01
Fluid-elastic force acting on a square tube bundle of P/D = 1.47 in air-water two-phase cross flow was measured to investigate the characteristics and to clarify whether the fluid elastic vibration characteristics could be expressed using two-phase mixture characteristics. Measured fluid elastic forces were separated into fluid-elastic force coefficients such as added mass, added stiffness, and added damping coefficient. The added damping coefficient was separated into a two-phase damping and a flow-dependent component as in previous research (Carlucci, 1981 and 1983; Pettigrew, 1994). These coefficients were nondimensionalized with two-phase mixture characteristics such as void fraction, mixture density and mixture velocity, which were obtained using the drift-flux model with consideration given to the model. The result was compared with the result obtained with the homogeneous model. It was found that fluid-elastic force coefficients could be expressed with two-phase flow mixture characteristics very well in the experimental result, and that better result can be derived using the slip model as compared to the homogeneous model. Added two-phase flow, which could be expressed as a function of void fraction, where two-phase damping was nondimensionalized with the relative velocity between the gas and liquid phases used as a reference velocity. Using these, the added stiffness coefficient and flow-dependent component of damping could be expressed very well as a function of nondimensional mixture velocity
Adsorption analysis equilibria and kinetics
Do, Duong D
1998-01-01
This book covers topics of equilibria and kinetics of adsorption in porous media. Fundamental equilibria and kinetics are dealt with for homogeneous as well as heterogeneous particles. Five chapters of the book deal with equilibria and eight chapters deal with kinetics. Single component as well as multicomponent systems are discussed. In kinetics analysis, we deal with the various mass transport processes and their interactions inside a porous particle. Conventional approaches as well as the new approach using Maxwell-Stefan equations are presented. Various methods to measure diffusivity, such
Quantum equilibria for macroscopic systems
International Nuclear Information System (INIS)
Grib, A; Khrennikov, A; Parfionov, G; Starkov, K
2006-01-01
Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered
Quantum equilibria for macroscopic systems
Energy Technology Data Exchange (ETDEWEB)
Grib, A [Department of Theoretical Physics and Astronomy, Russian State Pedagogical University, St. Petersburg (Russian Federation); Khrennikov, A [Centre for Mathematical Modelling in Physics and Cognitive Sciences Vaexjoe University (Sweden); Parfionov, G [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation); Starkov, K [Department of Mathematics, St. Petersburg State University of Economics and Finances (Russian Federation)
2006-06-30
Nash equilibria are found for some quantum games with particles with spin-1/2 for which two spin projections on different directions in space are measured. Examples of macroscopic games with the same equilibria are given. Mixed strategies for participants of these games are calculated using probability amplitudes according to the rules of quantum mechanics in spite of the macroscopic nature of the game and absence of Planck's constant. A possible role of quantum logical lattices for the existence of macroscopic quantum equilibria is discussed. Some examples for spin-1 cases are also considered.
International Nuclear Information System (INIS)
Destrigneville, Christine
1991-01-01
The alteration processes occurring in the volcanics of Mururoa have been studied using petrological data on secondary minerals, chemical analyses of the interstitial fluids and isotopic analyses on both minerals and fluids. Chemical and isotopic exchanges were first modelled, then thermodynamical modeling characterized the chemical evolution during the alteration of the secondary assemblage and of the fluid. The main secondary sequences which have been observed in Mururoa volcanics result from the alteration occurring during the lavas setting. Two different processes have been evidenced. The first one is the deuteric alteration with the CO_2-rich magmatic fluid exsolved from the magma and trapped in the vesicles and the olivine microcracks of the lava intrusions. This alteration in a closed system is dominated by the solid phases when the CO_2 molar fraction in the fluid is higher than 0.25. The second process is the alteration of the lavas by seawater or a meteoric fluid. The basaltic flows present alteration assemblages composed of clay minerals and zeolites whose chemical composition has been forced by the fluid composition. Shallowness emissions of lavas result in completely argillized levels. The present interstitial fluids chemistry result from the percolation of seawater in the volcano. In the argillized levels the fluids have interacted with the clay minerals and their chemical compositions have been modified. The important chemical changes in the present interstitial fluids show that the present alteration in the volcano is higher than the fluids circulation. (author) [fr
International Nuclear Information System (INIS)
Hicks, H.R.; Dory, R.A.; Holmes, J.A.
1983-01-01
We illustrate in some detail a 2D inverse-equilibrium solver that was constructed to analyze tokamak configurations and stellarators (the latter in the context of the average method). To ensure that the method is suitable not only to determine equilibria, but also to provide appropriately represented data for existing stability codes, it is important to be able to control the Jacobian, tilde J is identical to delta(R,Z)/delta(rho, theta). The form chosen is tilde J = J 0 (rho)R/sup l/rho where rho is a flux surface label, and l is an integer. The initial implementation is for a fixed conducting-wall boundary, but the technique can be extended to a free-boundary model
Predicting phase shift of elastic waves in pipes due to fluid flow and imperfections
DEFF Research Database (Denmark)
Thomsen, Jon Juel; Dahl, Jonas; Fuglede, Niels
2009-01-01
. This is relevant for understanding wave propagation in elastic media in general, and for the design and trouble-shooting of phase-shift measuring devices such as Coriolis mass flowmeters in particular. A multiple time scaling perturbation analysis is employed for a simple model of a fluid-conveying pipe......Flexural vibrations of a fluid-conveying pipe is investigated, with special consideration to the spatial shift in phase caused by fluid flow and various imperfections, e.g., non-ideal supports, non-uniform stiffness or mass, non-proportional damping, weak nonlinearity, and flow pulsation...
Jump conditions in transonic equilibria
International Nuclear Information System (INIS)
Guazzotto, L.; Betti, R.; Jardin, S. C.
2013-01-01
In the present paper, the numerical calculation of transonic equilibria, first introduced with the FLOW code in Guazzotto et al.[Phys. Plasmas 11, 604 (2004)], is critically reviewed. In particular, the necessity and effect of imposing explicit jump conditions at the transonic discontinuity are investigated. It is found that “standard” (low-β, large aspect ratio) transonic equilibria satisfy the correct jump condition with very good approximation even if the jump condition is not explicitly imposed. On the other hand, it is also found that high-β, low aspect ratio equilibria require the correct jump condition to be explicitly imposed. Various numerical approaches are described to modify FLOW to include the jump condition. It is proved that the new methods converge to the correct solution even in extreme cases of very large β, while they agree with the results obtained with the old implementation of FLOW in lower-β equilibria.
Pierce instability and bifurcating equilibria
International Nuclear Information System (INIS)
Godfrey, B.B.
1981-01-01
The report investigates the connection between equilibrium bifurcations and occurrence of the Pierce instability. Electrons flowing from one ground plane to a second through an ion background possess a countable infinity of static equilibria, of which only one is uniform and force-free. Degeneracy of the uniform and simplest non-uniform equilibria at a certain ground plan separation marks the onset of the Pierce instability, based on a newly derived dispersion relation appropriate to all the equilibria. For large ground plane separations the uniform equilibrium is unstable and the non-uniform equilibrium is stable, the reverse of their stability properties at small separations. Onset of the Pierce instability at the first bifurcation of equilibria persists in more complicated geometries, providing a general criterion for marginal stability. It seems probable that bifurcation analysis can be a useful tool in the overall study of stable beam generation in diodes and transport in finite cavities
International Nuclear Information System (INIS)
Hekayati, Javad; Roosta, Aliakbar; Javanmardi, Jafar
2016-01-01
Highlights: • Quinary LLE phase equilibria involving PEG 6000 + Na_2SO_4 + H_2O + glucose + ethanol. • Favorable partition coefficients of ethanol and glucose. • Satisfactory correlation of the LLE experimental data with the original NRTL model. • Root mean squared deviations (RMSDs) of less than 0.6%. - Abstract: Extractive fermentation processes involving aqueous two-phase systems (ATPSs) are considered as viable means of overcoming the problems associated with product inhibition. Practical development of these processes requires accurate knowledge of the liquid–liquid equilibrium (LLE) of the ATPS forming components alongside the substrate and product of the fermentation process. In this work, the quinary aqueous two-phase LLE of poly(ethylene glycol) 6000 + sodium sulfate + water in the presence of glucose and ethanol have been experimentally determined at 298.15 K using spectrophotometric methods. The resulting LLE data were then satisfactorily correlated by the non-random two-liquid (NRTL) activity coefficient model based on mass fractions. In doing so, the binary energy interaction parameters of the NRTL activity coefficient model were obtained and reported. Calculated RMS deviations below 0.6% demonstrate that the original NRTL activity coefficient model can accurately correlate the LLE data of the quinary aqueous biphasic system of interest.
Energy Technology Data Exchange (ETDEWEB)
Hekayati, Javad; Roosta, Aliakbar, E-mail: aa.roosta@sutech.ac.ir; Javanmardi, Jafar
2016-02-10
Highlights: • Quinary LLE phase equilibria involving PEG 6000 + Na{sub 2}SO{sub 4} + H{sub 2}O + glucose + ethanol. • Favorable partition coefficients of ethanol and glucose. • Satisfactory correlation of the LLE experimental data with the original NRTL model. • Root mean squared deviations (RMSDs) of less than 0.6%. - Abstract: Extractive fermentation processes involving aqueous two-phase systems (ATPSs) are considered as viable means of overcoming the problems associated with product inhibition. Practical development of these processes requires accurate knowledge of the liquid–liquid equilibrium (LLE) of the ATPS forming components alongside the substrate and product of the fermentation process. In this work, the quinary aqueous two-phase LLE of poly(ethylene glycol) 6000 + sodium sulfate + water in the presence of glucose and ethanol have been experimentally determined at 298.15 K using spectrophotometric methods. The resulting LLE data were then satisfactorily correlated by the non-random two-liquid (NRTL) activity coefficient model based on mass fractions. In doing so, the binary energy interaction parameters of the NRTL activity coefficient model were obtained and reported. Calculated RMS deviations below 0.6% demonstrate that the original NRTL activity coefficient model can accurately correlate the LLE data of the quinary aqueous biphasic system of interest.
Cabaleiro Alvarez, David
2016-01-01
This PhD Thesis aims to characterize different conventional thermal fluids and propose new nanofluids based on their thermophysical, rheological, (solid-liquid) phase equilibria and their capability to heat transfer or heat storage. The selected conventional fluids are commonly used in the majority of heat transfer systems such as ethylene glycol (EG), propylene glycol (PG), a (ethylene glycol + water) mixture at 50 vol.% (EG+W), or the (diphenyl ether + biphenyl) mixtures. The nanofluids wer...
Study of the hard-disk system at high densities: the fluid-hexatic phase transition.
Mier-Y-Terán, Luis; Machorro-Martínez, Brian Ignacio; Chapela, Gustavo A; Del Río, Fernando
2018-06-21
Integral equations of uniform fluids have been considered unable to predict any characteristic feature of the fluid-solid phase transition, including the shoulder that arises in the second peak of the fluid-phase radial distribution function, RDF, of hard-core systems obtained by computer simulations, at fluid densities very close to the structural two-step phase transition. This reasoning is based on the results of traditional integral approximations, like Percus-Yevick, PY, which does not show such a shoulder in hard-core systems, neither in two nor three dimensions. In this work, we present results of three Ansätze, based on the PY theory, that were proposed to remedy the lack of PY analytical solutions in two dimensions. This comparative study shows that one of those Ansätze does develop a shoulder in the second peak of the RDF at densities very close to the phase transition, qualitatively describing this feature. Since the shoulder grows into a peak at still higher densities, this integral equation approach predicts the appearance of an orientational order characteristic of the hexatic phase in a continuous fluid-hexatic phase transition.
Phase shift effects for fluid conveying pipes with non-ideal supports
DEFF Research Database (Denmark)
Dahl, Jonas; Thomsen, Jon Juel
2008-01-01
Vibrations of a fluid-conveying pipe with non-ideal supports are investigated with respect to phase shift effects. A numerical Galerkin approach is developed for this general problem, and the use of it exemplified with a investigation of phase shift effects from rotational damping at supports...
Phase portrait methods for verifying fluid dynamic simulations
Energy Technology Data Exchange (ETDEWEB)
Stewart, H.B.
1989-01-01
As computing resources become more powerful and accessible, engineers more frequently face the difficult and challenging engineering problem of accurately simulating nonlinear dynamic phenomena. Although mathematical models are usually available, in the form of initial value problems for differential equations, the behavior of the solutions of nonlinear models is often poorly understood. A notable example is fluid dynamics: while the Navier-Stokes equations are believed to correctly describe turbulent flow, no exact mathematical solution of these equations in the turbulent regime is known. Differential equations can of course be solved numerically, but how are we to assess numerical solutions of complex phenomena without some understanding of the mathematical problem and its solutions to guide us
Shallow-water vortex equilibria and their stability
Energy Technology Data Exchange (ETDEWEB)
Plotka, H; Dritschel, D G, E-mail: hanna@mcs.st-andrews.ac.uk, E-mail: dgd@mcs.st-andrews.ac.uk [School of Mathematics and Statistics, University of St Andrews, North Haugh, St. Andrews KY16 9SS (United Kingdom)
2011-12-22
We first describe the equilibrium form and stability of steadily-rotating simply-connected vortex patches in the single-layer quasi-geostrophic model of geophysical fluid dynamics. This model, valid for rotating shallow-water flow in the limit of small Rossby and Froude numbers, has an intrinsic length scale L{sub D} called the 'Rossby deformation length' relating the strength of stratification to that of the background rotation rate. Specifically, L{sub D} = c/f where c={radical}gH is a characteristic gravity-wave speed, g is gravity (or 'reduced' gravity in a two-layer context where one layer is infinitely deep), H is the mean active layer depth, and f is the Coriolis frequency (here constant). We next introduce ageostrophic effects by using the full shallow-water model to generate what we call 'quasi-equilibria'. These equilibria are not strictly steady, but radiate such weak gravity waves that they are steady for all practical purposes. Through an artificial ramping procedure, we ramp up the potential vorticity anomaly of the fluid particles in our quasi-geostrophic equilibria to obtain shallow-water quasi-equilibria at finite Rossby number. We show a few examples of these states in this paper.
Introduction to investigations of the negative corona and EHD flow in gaseous two-phase fluids
Jerzy, MIZERACZYK; Artur, BERENDT
2018-05-01
Research interests have recently been directed towards electrical discharges in multi-phase environments. Natural electrical discharges, such as lightning and coronas, occur in the Earth’s atmosphere, which is actually a mixture of gaseous phase (air) and suspended solid and liquid particulate matters (PMs). An example of an anthropogenic gaseous multi-phase environment is the flow of flue gas through electrostatic precipitators (ESPs), which are generally regarded as a mixture of a post-combustion gas with solid PM and microdroplets suspended in it. Electrical discharges in multi-phase environments, the knowledge of which is scarce, are becoming an attractive research subject, offering a wide variety of possible discharges and multi-phase environments to be studied. This paper is an introduction to electrical discharges in multi-phase environments. It is focused on DC negative coronas and accompanying electrohydrodynamic (EHD) flows in a gaseous two-phase fluid formed by air (a gaseous phase) and solid PM (a solid phase), run under laboratory conditions. The introduction is based on a review of the relevant literature. Two cases will be considered: the first case is of a gaseous two-phase fluid, initially motionless in a closed chamber before being subjected to a negative corona (with the needle-to-plate electrode arrangement), which afterwards induces an EHD flow in the chamber, and the second, of a gaseous two-phase fluid flowing transversely with respect to the needle-to-plate electrode axis along a chamber with a corona discharge running between the electrodes. This review-based introductory paper should be of interest to theoretical researchers and modellers in the field of negative corona discharges in single- or two-phase fluids, and for engineers who work on designing EHD devices (such as ESPs, EHD pumps, and smoke detectors).
Mahanthesh, B.; Gireesha, B. J.
2018-03-01
The impact of Marangoni convection on dusty Casson fluid boundary layer flow with Joule heating and viscous dissipation aspects is addressed. The surface tension is assumed to vary linearly with temperature. Physical aspects of magnetohydrodynamics and thermal radiation are also accounted. The governing problem is modelled under boundary layer approximations for fluid phase and dust particle phase and then Runge-Kutta-Fehlberg method based numeric solutions are established. The momentum and heat transport mechanisms are focused on the result of distinct governing parameters. The Nusselt number is also calculated. It is established that the rate of heat transfer can be enhanced by suspending dust particles in the base fluid. The temperature field of fluid phase and temperature of dust phase are quite reverse for thermal dust parameter. The radiative heat, viscous dissipation and Joule heating aspects are constructive for thermal fields of fluid and dust phases. The velocity of dusty Casson fluid dominates the velocity of dusty fluid while this trend is opposite in the case of temperature. Moreover qualitative behaviour of fluid phase and dust phase temperature/velocity are similar.
Application of Phase Shifted, Laser Feedback Interferometry to Fluid Physics
Ovryn, Ben; Eppell, Steven J.; Andrews, James H.; Khaydarov, John
1996-01-01
We have combined the principles of phase-shifting interferometry (PSI) and laser-feedback interferometry (LFI) to produce a new instrument that can measure both optical path length (OPL) changes and discern sample reflectivity variations. In LFI, coherent feedback of the incident light either reflected directly from a surface or reflected after transmission through a region of interest will modulate the output intensity of the laser. LFI can yield a high signal-to-noise ratio even for low reflectivity samples. By combining PSI and LFI, we have produced a robust instrument, based upon a HeNe laser, with high dynamic range that can be used to measure either static (dc) or oscillatory changes along the optical path. As with other forms of interferometry, large changes in OPL require phase unwrapping. Conversely, small phase changes are limited by the fraction of a fringe that can be measured. We introduce the phase shifts with an electro-optic modulator (EOM) and use either the Carre or Hariharan algorithms to determine the phase and visibility. We have determined the accuracy and precision of our technique by measuring both the bending of a cantilevered piezoelectric bimorph and linear ramps to the EOM. Using PSI, sub-nanometer displacements can be measured. We have combined our interferometer with a commercial microscope and scanning piezoelectric stage and have measured the variation in OPL and visibility for drops of PDMS (silicone oil) on coated single crystal silicon. Our measurement of the static contact angle agrees with the value of 68 deg stated in the literature.
Energy Technology Data Exchange (ETDEWEB)
Foroutan, Masumeh [Department of Physical Chemistry, Faculty of Chemistry, College of Science, University of Tehran, Enghelab Ave., Tehran 14155-6455 (Iran, Islamic Republic of)], E-mail: foroutan@khayam.ut.ac.ir; Zarrabi, Mona [Department of Physical Chemistry, Faculty of Chemistry, College of Science, University of Tehran, Enghelab Ave., Tehran 14155-6455 (Iran, Islamic Republic of)
2008-06-15
A quaternary (liquid + liquid) equilibrium study was performed to focus attention on the interaction parameters between poly-N-vinylcaprolactam (PVCL) and poly-ethylene glycol (PEG) as well as between other species. At first, the new experimental data of (liquid + liquid) equilibria for aqueous two-phase systems containing PEG, KH{sub 2}PO{sub 4}, and PVCL at T = 303.15 K have been determined. Then the Flory-Huggins theory with two electrostatic terms (the Debye-Huckel and the Pitzer-Debye-Huckel equations) has been generalized to correlate the phase behavior of the quaternary system. Good agreement has been found between experimental and calculated data from both models especially from the Pitzer-Debye-Huckel equation. Also an effort was done to compare the effect of temperature as well as addition of PVCL on the binodal curves of PEG, KH{sub 2}PO{sub 4}, and water. The effect of the type of salt on the binodals has been also studied, and the salting out power of the salts has been determined.
Collisionless current sheet equilibria
Neukirch, T.; Wilson, F.; Allanson, O.
2018-01-01
Current sheets are important for the structure and dynamics of many plasma systems. In space and astrophysical plasmas they play a crucial role in activity processes, for example by facilitating the release of magnetic energy via processes such as magnetic reconnection. In this contribution we will focus on collisionless plasma systems. A sensible first step in any investigation of physical processes involving current sheets is to find appropriate equilibrium solutions. The theory of collisionless plasma equilibria is well established, but over the past few years there has been a renewed interest in finding equilibrium distribution functions for collisionless current sheets with particular properties, for example for cases where the current density is parallel to the magnetic field (force-free current sheets). This interest is due to a combination of scientific curiosity and potential applications to space and astrophysical plasmas. In this paper we will give an overview of some of the recent developments, discuss their potential applications and address a number of open questions.
Formation of organic solid phases in hydrocarbon reservoir fluids. Final report
Energy Technology Data Exchange (ETDEWEB)
Andersen, S.I.; Lindeloff, N.; Stenby, E.H.
1998-12-31
The occurrence of solid phases during oil recovery is a potential problem. The present work has mainly been concerned with wax formation due to cooling of oils with a large paraffin content. 8 oils have been included in this project, although only a few of these have till now been subject to all the experimental techniques applied. The oils and wax fractions from these have been characterized using techniques such as GC-MS and Ftir. The goal has in part been to get a detailed description of the oil composition for use in model evaluation and development and in part to get a fundamental understanding of waxy oil properties and behaviour. A high pressure (200 bar) equipment has been developed for automatic detection of wax appearance using a filtration technique and laser light turbidimetry. The latter was found to be far superior to the filtration. The filtration was used to sample the incipient solid phase for characterization. However entrapment of liquid in the filters currently used have hampered this part. A number of model systems and one gas condensate have been investigated. The GC-MS procedure was found only to been able to detect molecules up to n-C45 and the group type analysis was not accurate enough for modelling purposes. Using Ftir it was obvious that incipient phases may contain very complex molecules (asphaltenes) which are not captured by GC-MS especially when fractionation is done using the acetone precipitation at elevated temperature. The latter fractionation procedure has been investigated thoroughly as a tool for understanding wax distribution etc. Within thermodynamic modelling a delta lattice parameter model has been developed which incorporates the non-ideality of the solid phases into the calculation of SLE. The non-ideality is estimated from pure component properties. A new algorithm for phase equilibria involving gas-liquid-solid has been developed. Currently both the model work and the experimental works are continued. (au)
Energy Technology Data Exchange (ETDEWEB)
Tournier, H.
2000-10-13
The separation of p-xylene from C{sub 8} aromatics is performed industrially by selective adsorption on zeolitic molecular sieves. The aim of this work is to study and model adsorption equilibria of C{sub 8} and C{sub 10} aromatics on X and Y zeolites. The experimental data are obtained by an entirely automated equipment allowing to work in a large range of temperature (50 deg. C - 250 deg. C). With this equipment, we can follow the evolution of the composition of the liquid phase and determine the composition of the adsorbed phase at equilibrium by a mass balance calculation and with an inert component. Two analytical techniques are used to determine the composition of the liquid phase: (1) a classical method using a gas chromatograph (GC) allowed to measure selectivities in the concentration range (3%-97%) in a component; (2) an original method based on the use and on the measure of {sup 13}C labelled xylenes was developed to investigate the ranges of strongly contrasting concentrations [0-3%] and [97%-100%] in a component, which are representative of high purity domains. Lastly, three thermodynamic models are used to describe the adsorption equilibria: the Langmuir-Freundlich model, the quasi-chemical model and the statistical model. The last model is the more interesting, because it is based on physical considerations. A new statistical model has been developed with taking into account some observations coming from adsorption phenomenon in zeolites. (author)
Validation of model predictions of pore-scale fluid distributions during two-phase flow
Bultreys, Tom; Lin, Qingyang; Gao, Ying; Raeini, Ali Q.; AlRatrout, Ahmed; Bijeljic, Branko; Blunt, Martin J.
2018-05-01
Pore-scale two-phase flow modeling is an important technology to study a rock's relative permeability behavior. To investigate if these models are predictive, the calculated pore-scale fluid distributions which determine the relative permeability need to be validated. In this work, we introduce a methodology to quantitatively compare models to experimental fluid distributions in flow experiments visualized with microcomputed tomography. First, we analyzed five repeated drainage-imbibition experiments on a single sample. In these experiments, the exact fluid distributions were not fully repeatable on a pore-by-pore basis, while the global properties of the fluid distribution were. Then two fractional flow experiments were used to validate a quasistatic pore network model. The model correctly predicted the fluid present in more than 75% of pores and throats in drainage and imbibition. To quantify what this means for the relevant global properties of the fluid distribution, we compare the main flow paths and the connectivity across the different pore sizes in the modeled and experimental fluid distributions. These essential topology characteristics matched well for drainage simulations, but not for imbibition. This suggests that the pore-filling rules in the network model we used need to be improved to make reliable predictions of imbibition. The presented analysis illustrates the potential of our methodology to systematically and robustly test two-phase flow models to aid in model development and calibration.
Measurement of average density and relative volumes in a dispersed two-phase fluid
Sreepada, Sastry R.; Rippel, Robert R.
1992-01-01
An apparatus and a method are disclosed for measuring the average density and relative volumes in an essentially transparent, dispersed two-phase fluid. A laser beam with a diameter no greater than 1% of the diameter of the bubbles, droplets, or particles of the dispersed phase is directed onto a diffraction grating. A single-order component of the diffracted beam is directed through the two-phase fluid and its refraction is measured. Preferably, the refracted beam exiting the fluid is incident upon a optical filter with linearly varing optical density and the intensity of the filtered beam is measured. The invention can be combined with other laser-based measurement systems, e.g., laser doppler anemometry.
Long-wave equivalent viscoelastic solids for porous rocks saturated by two-phase fluids
Santos, J. E.; Savioli, G. B.
2018-04-01
Seismic waves traveling across fluid-saturated poroelastic materials with mesoscopic-scale heterogeneities induce fluid flow and Biot's slow waves generating energy loss and velocity dispersion. Using Biot's equations of motion to model these type of heterogeneities would require extremely fine meshes. We propose a numerical upscaling procedure to determine the complex and frequency dependent P-wave and shear moduli of an effective viscoelastic medium long-wave equivalent to a poroelastic solid saturated by a two-phase fluid. The two-phase fluid is defined in terms of capillary pressure and relative permeability flow functions. The P-wave and shear effective moduli are determined using harmonic compressibility and shear experiments applied on representative samples of the bulk material. Each experiment is associated with a boundary value problem that is solved using the finite element method. Since a poroelastic solid saturated by a two-phase fluid supports the existence of two slow waves, this upscaling procedure allows to analyze their effect on the mesoscopic-loss mechanism in hydrocarbon reservoir formations. Numerical results show that a two-phase Biot medium model predicts higher attenuation than classic Biot models.
Cryptographically Blinded Games: Leveraging Players' Limitations for Equilibria and Profit
DEFF Research Database (Denmark)
Hubacek, Pavel; Park, Sunoo
2014-01-01
In this work we apply methods from cryptography to enable mutually distrusting players to implement broad classes of mediated equilibria of strategic games without trusted mediation. Our implementation uses a pre-play 'cheap talk' phase, consisting of non- binding communication between players...
Modelling of phase equilibria in CH4–C2H6–C3H8–nC4H10–NaCl–H2O systems
International Nuclear Information System (INIS)
Li, Jun; Zhang, Zhigang; Luo, Xiaorong; Li, Xiaochun
2015-01-01
Highlights: • A new model was established for the phase equilibria of C1–C2–C3–nC4–brine systems. • The model can reproduce of hydrocarbon–brine equilibria to high T&P and salinity. • The model can well predict H 2 O solubility in light hydrocarbon rich phases. - Abstract: A thermodynamic model is presented for the mutual solubility of CH 4 –C 2 H 6 –C 3 H 8 –nC 4 H 10 –brine systems up to high temperature, pressure and salinity. The Peng–Robinson model is used for non-aqueous phase fugacity calculations, and the Pitzer model is used for aqueous phase activity calculations. The model can accurately reproduce the experimental solubilities of CH 4 , C 2 H 6 , C 3 H 8 and nC 4 H 10 in water or NaCl solutions and H 2 O solubility in the non-aqueous phase. The experimental data of mutual solubility for the CH 4 –brine subsystem are sufficient for temperatures exceeding 250 °C, pressures exceeding 1000 bar and NaCl molalities greater than 6 molal. Compared to the CH 4 –brine system, the mutual solubility data of C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine are not sufficient. Based on the comparison with the experimental data of H 2 O solubility in C 2 H 6 -, C 3 H 8 - or nC 4 H 10 -rich phases, the model has an excellent capability for the prediction of H 2 O solubility in hydrocarbon-rich phases, as these experimental data were not used in the modelling. Predictions of hydrocarbon solubility (at temperatures up to 200 °C, pressures up to 1000 bar and NaCl molalities greater than 6 molal) were made for the C 2 H 6 –brine, C 3 H 8 –brine and nC 4 H 10 –brine systems. The predictions suggest that increasing pressure generally increases the hydrocarbon solubility in water or brine, especially in the lower-pressure region. Increasing temperature usually decreases the hydrocarbon solubility at lower temperatures but increases the hydrocarbon solubility at higher temperatures. Increasing water salinity dramatically decreases
Hydrostatic Equilibria of Rotating Stars with Realistic Equation of State
Yasutake, Nobutoshi; Fujisawa, Kotaro; Okawa, Hirotada; Yamada, Shoichi
Stars rotate generally, but it is a non-trivial issue to obtain hydrostatic equilibria for rapidly rotating stars theoretically, especially for baroclinic cases, in which the pressure depends not only on the density, but also on the temperature and compositions. It is clear that the stellar structures with realistic equation of state are the baroclinic cases, but there are not so many studies for such equilibria. In this study, we propose two methods to obtain hydrostatic equilibria considering rotation and baroclinicity, namely the weak-solution method and the strong-solution method. The former method is based on the variational principle, which is also applied to the calculation of the inhomogeneous phases, known as the pasta structures, in crust of neutron stars. We found this method might break the balance equation locally, then introduce the strong-solution method. Note that our method is formulated in the mass coordinate, and it is hence appropriated for the stellar evolution calculations.
International Nuclear Information System (INIS)
Valyashko, V.M.; Urusova, M.A.
1996-01-01
The paper studies the principal schemes of complete state diagram of volatile component-two non-volatile components three-component system with tricritical point and sequence of phase transformations at variation of temperature, pressure and composition of mixture. H 2 O-HgI 2 -PbI 2 system, solid phase dissolving process, stratification of solutions and critical phenomena under 200-400 deg C are studied experimentally. General nature of the system phase diagram and parameters of three-phase equilibrium critical point (tricritical point), that is, gas-liquid 1 -liquid 2 are determined. 17 refs., 8 figs., 3 tabs
Phase-Shifting Liquid Crystal Interferometers for Microgravity Fluid Physics
Griffin, DeVon W.; Marshall, Keneth L.
2002-01-01
The initial focus of this project was to eliminate both of these problems in the Liquid Crystal Point-Diffraction Interferometer (LCPDI). Progress toward that goal will be described, along with the demonstration of a phase shifting Liquid Crystal Shearing Interferometer (LCSI) that was developed as part of this work. The latest LCPDI, other than a lens to focus the light from a test section onto a diffracting microsphere within the interferometer and a collimated laser for illumination, the pink region contained within the glass plates on the rod-mounted platform is the complete interferometer. The total width is approximately 1.5 inches with 0.25 inches on each side for bonding the electrical leads. It is 1 inch high and there are only four diffracting microspheres within the interferometer. As a result, it is very easy to align, achieving the first goal. The liquid crystal electro-optical response time is a function of layer thickness, with thinner devices switching faster due to a reduction in long-range viscoelastic forces between the LC molecules. The LCPDI has a liquid crystal layer thickness of 10 microns, which is controlled by plastic or glass microspheres embedded in epoxy 'pads' at the corners of the device. The diffracting spheres are composed of polystyrene/divinyl benzene polymer with an initial diameter of 15 microns. The spheres deform slightly when the interferometer is assembled to conform to the spacing produced by the microsphere-filled epoxy spacer pads. While the speed of this interferometer has not yet been tested, previous LCPDIs fabricated at the Laboratory for Laser Energetics switched at a rate of approximately 3.3 Hz, a factor of 10 slower than desired. We anticipate better performance when the speed of these interferometers is tested since they are approximately three times thinner. Phase shifting in these devices is a function of the AC voltage level applied to the liquid crystal. As the voltage increases, the dye in the liquid crystal
Learning to Play Efficient Coarse Correlated Equilibria
Borowski, Holly P.; Marden, Jason R.; Shamma, Jeff S.
2018-01-01
The majority of the distributed learning literature focuses on convergence to Nash equilibria. Coarse correlated equilibria, on the other hand, can often characterize more efficient collective behavior than even the best Nash equilibrium. However
Scaling of two-phase flow transients using reduced pressure system and simulant fluid
International Nuclear Information System (INIS)
Kocamustafaogullari, G.; Ishii, M.
1987-01-01
Scaling criteria for a natural circulation loop under single-phase flow conditions are derived. Based on these criteria, practical applications for designing a scaled-down model are considered. Particular emphasis is placed on scaling a test model at reduced pressure levels compared to a prototype and on fluid-to-fluid scaling. The large number of similarty groups which are to be matched between modell and prototype makes the design of a scale model a challenging tasks. The present study demonstrates a new approach to this clasical problen using two-phase flow scaling parameters. It indicates that a real time scaling is not a practical solution and a scaled-down model should have an accelerated (shortened) time scale. An important result is the proposed new scaling methodology for simulating pressure transients. It is obtained by considerung the changes of the fluid property groups which appear within the two-phase similarity parameters and the single-phase to two-phase flow transition prameters. Sample calculations are performed for modeling two-phase flow transients of a high pressure water system by a low-pressure water system or a Freon system. It is shown that modeling is possible for both cases for simulation pressure transients. However, simulation of phase change transitions is not possible by a reduced pressure water system without distortion in either power or time. (orig.)
Partial Cooperative Equilibria: Existence and Characterization
Directory of Open Access Journals (Sweden)
Amandine Ghintran
2010-09-01
Full Text Available We study the solution concepts of partial cooperative Cournot-Nash equilibria and partial cooperative Stackelberg equilibria. The partial cooperative Cournot-Nash equilibrium is axiomatically characterized by using notions of rationality, consistency and converse consistency with regard to reduced games. We also establish sufficient conditions for which partial cooperative Cournot-Nash equilibria and partial cooperative Stackelberg equilibria exist in supermodular games. Finally, we provide an application to strategic network formation where such solution concepts may be useful.
Two-dimensional magnetohydrodynamic equilibria with flow and studies of equilibria fluctuations
International Nuclear Information System (INIS)
Agim, Y.Z.
1989-08-01
A set of reduced ideal MHD equations is derived to investigate equilibria of plasmas with mass flow in general two-dimensional geometry. These equations provide a means of investigating the effects of flow on self-consistent equilibria in a number of new two-dimensional configurations such as helically symmetric configurations with helical axis, which are relevant to stellarators, as well as axisymmetric configurations. It is found that as in the axisymmetric case, general two-dimensional flow equilibria are governed by a second-order quasi-linear partial differential equation for a magnetic flux function, which is coupled to a Bernoulli-type equation for the density. The equation for the magnetic flux function becomes hyperbolic at certain critical flow speeds which follow from its characteristic equation. When the equation is hyperbolic, shock phenomena may exist. As a particular example, unidirectional flow along the lines of symmetry is considered. In this case, the equation mentioned above is always elliptic. An exact solution for the case of helically symmetric unidirectional flow is found and studied to determine flow effects on the magnetic topology. In second part of this thesis, magnetic fluctuations due to the thermally excited MHD waves are investigated using fluid and kinetic models to describe stable, uniform, compressible plasma in the range above the drift wave frequency and below the ion cyclotron frequency. It is shown that the fluid model with resistivity yields spectral densities which are roughly Lorentzian, exhibit equipartition with no apparent cutoff in wavenumber space and a Bohm-type diffusion coefficient. Under certain conditions, the ensuing transport may be comparable to classical values. For a phenomenological cutoff imposed on the spectrum, the typical fluctuating-to-equilibrium magnetic field ratio is found to be of the order of 10 -10
Formation of structural steady states in lamellar/sponge phase-separating fluids under shear flow
Panizza, P.; Courbin, L.; Cristobal, G.; Rouch, J.; Narayanan, T.
2003-05-01
We investigate the effect of shear flow on a lamellar-sponge phase-separating fluid when subjected to shear flow. We show the existence of two different steady states (droplets and ribbons structures) whose nature does not depend on the way to reach the two-phase unstable region of the phase diagram (temperature quench or stirring). The transition between ribbons and droplets is shear thickening and its nature strongly depends on what dynamical variable is imposed. If the stress is fixed, flow visualization shows the existence of shear bands at the transition, characteristic of coexistence in the cell between ribbons and droplets. In this shear-banding region, the viscosity oscillates. When the shear rate is fixed, no shear bands are observed. Instead, the transition exhibits a hysteretic behavior leading to a structural bi-stability of the phase-separating fluid under flow.
Status of thermophysical properties data for pure fluids and mixtures of cryogenic interest
International Nuclear Information System (INIS)
Haynes, W.M.; Hiza, M.J.; Kidney, A.J.; Olien, N.A.
1984-01-01
This chapter discusses the importance, availability, and deficiencies of the existing data bases for the thermophysical properties of cryogenic fluids, including mixtures, considering both scientific and engineering interests. The following types of phase equilibria are emphasized: liquid-vapor, solid-vapor, liquid-liquid (or liquid-liquid-vapor), and solid-liquid (or solid-liquid-vapor). The available thermophysical properties data for both pure fluids and mixtures are summarized. Specific recommendations are made for future experimental measurements. It is predicted that the major thrust of future studies of cryogenic fluids will involve mixtures. The fluids considered include those involved in cryogenic processing with melting temperatures below ambient
Phenomena at the QCD phase transition in nonequilibrium chiral fluid dynamics (NχFD)
Energy Technology Data Exchange (ETDEWEB)
Nahrgang, Marlene [Duke University, Department of Physics, Durham, NC (United States); Herold, Christoph [Suranaree University of Technology, School of Physics, Nakhon Ratchasima (Thailand)
2016-08-15
Heavy-ion collisions performed in the beam energy range accessible by the NICA collider facility are expected to produce systems of extreme net-baryon densities and can thus reach yet unexplored regions of the QCD phase diagram. Here, one expects the phase transition between the plasma of deconfined quarks and gluons and the hadronic matter to be of first order. A discovery of the first-order phase transition would as well prove the existence of the QCD critical point, a landmark in the phase diagram. In order to understand possible signals of the first-order phase transition in heavy-ion collision experiments it is very important to develop dynamical models of the phase transition. Here, we discuss the opportunities of studying dynamical effects at the QCD first-order phase transition within our model of nonequilibrium chiral fluid dynamics. (orig.)
Study of Two-Phase Heat Transfer in Nano-fluids for Nuclear Applications
International Nuclear Information System (INIS)
Kim, S.J.; Truong, B.; Buongiorno, J.; Hu, L.W.; Bang, I.C.
2006-01-01
Nano-fluids are engineered colloidal suspensions of nano-particles in a base fluid. We are investigating the two-phase heat transfer behavior of water-based nano-fluids, to evaluate their potential use in nuclear applications, including the PWR primary coolant and PWR and BWR safety systems. A simple pool boiling wire experiment shows that a significant increase in Critical Heat Flux (CHF) can be achieved at modest nano-particle concentrations. For example, the CHF increases by 50% in nano-fluids with alumina nano-particles at 0.001%v concentration. The CHF enhancement appears to correlate with the presence of a layer of nano-particles that builds up on the heated surface during nucleate boiling. A review of the prevalent Departure from Nucleate Boiling (DNB) theories suggests that an alteration of the nucleation site density (brought about by the nano-particle layer) could plausibly explain the CHF enhancement. (authors)
Phase diagram and transport properties for hydrogen-helium fluid planets
International Nuclear Information System (INIS)
Stevenson, D.J.; Salpeter, E.E.
1977-01-01
Hydrogen and helium are the major constituents of Jupiter and Saturn, and phase transitions can have important effects on the planetary structure. In this paper, the relevant phase diagrams and microscopic transport properties are analyzed in detail. The following paper (Paper II) applies these results to the evolution and present dynamic structure of the Jovian planets.Pure hydrogen is first discussed, especially the nature of the molecular-metallic transition and the melting curves for the two phases. It is concluded that at the temperatures and pressures of interest (Tapprox. =10 4 K, Papprox. =1--10 Mbar), both phases are fluid, but the transition between them might nevertheless be first-order. The insulator-metal transition in helium occurs at a much higher pressure (approx.70 Mbars) and is not of interest.The phase diagrams for both molecular and metallic hydrogen-helium mixtures are discussed. In the metallic mixture, calculations indicate a miscibility gap for T9 or approx. =10 4 K. Immiscibility in the molecular mixture is more difficult to predict but almost certainly occurs at much lower temperatures. A fluid-state model is constructed which predicts the likely topology of the three-dimensional phase diagram. The greater solubility of helium in the molecular phase leads to the prediction that the He/H mass ratio is typically twice as large in the molecular phase as in the coexisting metallic phase. Under these circumstances a ''density inversion'' is possible in which the molecular phase becomes more dense than the metallic phase.The partitioning of minor constituents is also considered: The deuterium/hydrogen mass ratio is essentially the same for all coexisting hydrogen-helium phases, at least for T> or approx. =5000 K. The partitioning of H 2 O, CH 4 , and NH 3 probably favors the molecular (or helium-rich) phase. Substances with high conduction electron density (e.g., Al) may partition into the metallic phase
Phase Behaviors of Reservoir Fluids with Capillary Eff ect Using Particle Swarm Optimization
Ma, Zhiwei
2013-05-06
The study of phase behavior is important for the oil and gas industry. Many approaches have been proposed and developed for phase behavior calculation. In this thesis, an alternative method is introduced to study the phase behavior by means of minimization of Helmholtz free energy. For a system at fixed volume, constant temperature and constant number of moles, the Helmholtz free energy reaches minimum at the equilibrium state. Based on this theory, a stochastic method called Particle Swarm Optimization (PSO) algorithm, is implemented to compute the phase diagrams for several pure component and mixture systems. After comparing with experimental and the classical PT-ash calculation, we found the phase diagrams obtained by minimization of the Helmholtz Free Energy approach match the experimental and theoretical diagrams very well. Capillary effect is also considered in this thesis because it has a significant influence on the phase behavior of reservoir fluids. In this part, we focus on computing the phase envelopes, which consists of bubble and dew point lines. Both fixed and calculated capillary pressure from the Young-Laplace equation cases are introduced to study their effects on phase envelopes. We found that the existence of capillary pressure will change the phase envelopes. Positive capillary pressure reduces the dew point and bubble point temperatures under the same pressure condition, while the negative capillary pressure increases the dew point and bubble point temperatures. In addition, the change of contact angle and pore radius will affect the phase envelope. The effect of the pore radius on the phase envelope is insignificant when the radius is very large. These results may become reference for future research and study. Keywords: Phase Behavior; Particle Swarm Optimization; Capillary Pressure; Reservoir Fluids; Phase Equilibrium; Phase Envelope.
Phase Behaviors of Reservoir Fluids with Capillary Eff ect Using Particle Swarm Optimization
Ma, Zhiwei
2013-01-01
The study of phase behavior is important for the oil and gas industry. Many approaches have been proposed and developed for phase behavior calculation. In this thesis, an alternative method is introduced to study the phase behavior by means of minimization of Helmholtz free energy. For a system at fixed volume, constant temperature and constant number of moles, the Helmholtz free energy reaches minimum at the equilibrium state. Based on this theory, a stochastic method called Particle Swarm Optimization (PSO) algorithm, is implemented to compute the phase diagrams for several pure component and mixture systems. After comparing with experimental and the classical PT-ash calculation, we found the phase diagrams obtained by minimization of the Helmholtz Free Energy approach match the experimental and theoretical diagrams very well. Capillary effect is also considered in this thesis because it has a significant influence on the phase behavior of reservoir fluids. In this part, we focus on computing the phase envelopes, which consists of bubble and dew point lines. Both fixed and calculated capillary pressure from the Young-Laplace equation cases are introduced to study their effects on phase envelopes. We found that the existence of capillary pressure will change the phase envelopes. Positive capillary pressure reduces the dew point and bubble point temperatures under the same pressure condition, while the negative capillary pressure increases the dew point and bubble point temperatures. In addition, the change of contact angle and pore radius will affect the phase envelope. The effect of the pore radius on the phase envelope is insignificant when the radius is very large. These results may become reference for future research and study. Keywords: Phase Behavior; Particle Swarm Optimization; Capillary Pressure; Reservoir Fluids; Phase Equilibrium; Phase Envelope.
International Nuclear Information System (INIS)
Niemiec, W.
1985-01-01
In the literature of distributed parameter modelling of real processes is not considered the class of multicomponent chemical processes in gas, fluid and solid phase. The aim of paper is constitutive distributed parameter physicochemical model, constructed on kinetics and phenomenal analysis of multicomponent chemical processes in gas, fluid and solid phase. The mass, energy and momentum aspects of these multicomponent chemical reactions and adequate phenomena are utilized in balance operations, by conditions of: constitutive invariance for continuous media with space and time memories, reciprocity principle for isotropic and anisotropic nonhomogeneous media with space and time memories, application of definitions of following derivative and equation of continuity, to the construction of systems of partial differential constitutive state equations, in the following derivative forms for gas, fluid and solid phase. Couched in this way all physicochemical conditions of multicomponent chemical processes in gas, fluid and solid phase are new form of constitutive distributed parameter model for automatics and its systems of equations are new form of systems of partial differential constitutive state equations in sense of phenomenal distributed parameter control
Computational fluid dynamics simulations of blood flow regularized by 3D phase contrast MRI
DEFF Research Database (Denmark)
Rispoli, Vinicius C; Nielsen, Jon; Nayak, Krishna S
2015-01-01
BACKGROUND: Phase contrast magnetic resonance imaging (PC-MRI) is used clinically for quantitative assessment of cardiovascular flow and function, as it is capable of providing directly-measured 3D velocity maps. Alternatively, vascular flow can be estimated from model-based computation fluid dyn...
Mathematical well-posedness of a two-fluid equations for bubbly two-phase flows
International Nuclear Information System (INIS)
Okawa, Tomio; Kataoka, Isao
2000-01-01
It is widely known that two-fluid equations used in most engineering applications do not satisfy the necessary condition for being mathematical well-posed as initial-value problems. In the case of stratified two-phase flows, several researchers have revealed that differential models satisfying the necessary condition are to be derived if the pressure difference between the phases is related to the spatial gradient of the void fraction through the effects of gravity or surface tension. While, in the case of dispersed two-phase flows, no physically reasonable method to derive mathematically well-posed two-fluid model has been proposed. In the present study, particularly focusing on the effect of interfacial pressure terms, we derived the mathematically closed form of the volume-averaged two-fluid model for bubbly two-phase flows. As a result of characteristic analyses, it was shown that the proposed two-fluid equations satisfy the necessary condition of mathematical well-posedness if the void fraction is sufficiently small. (author)
RELAP5 two-phase fluid model and numerical scheme for economic LWR system simulation
International Nuclear Information System (INIS)
Ransom, V.H.; Wagner, R.J.; Trapp, J.A.
1981-01-01
The RELAP5 two-phase fluid model and the associated numerical scheme are summarized. The experience accrued in development of a fast running light water reactor system transient analysis code is reviewed and example of the code application are given
Ruggiero, Flavia; Netti, Paolo Antonio; Torino, Enza
2015-12-01
Fundamental understanding of thermodynamic of phase separation plays a key role in tuning the desired features of biomedical devices. In particular, phase separation of ternary solution is of remarkable interest in processes to obtain biodegradable and biocompatible architectures applied as artificial devices to repair, replace, or support damaged tissues or organs. In these perspectives, thermally induced phase separation (TIPS) is the most widely used technique to obtained porous morphologies and, in addition, among different ternary systems, polylactic acid (PLLA)/dioxane/water has given promising results and has been largely studied. However, to increase the control of TIPS-based processes and architectures, an investigation of the basic energetic phenomena occurring during phase separation is still required. Here we propose an experimental investigation of the selected ternary system by using isothermal titration calorimetric approach at different solvent/antisolvent ratio and a thermodynamic explanation related to the polymer-solvents interactions in terms of energetic contribution to the phase separation process. Furthermore, relevant information about the phase diagrams and interaction parameters of the studied systems are furnished in terms of liquid-liquid miscibility gap. Indeed, polymer-solvents interactions are responsible for the mechanism of the phase separation process and, therefore, of the final features of the morphologies; the knowledge of such data is fundamental to control processes for the production of membranes, scaffolds and several nanostructures. The behavior of the polymer at different solvent/nonsolvent ratios is discussed in terms of solvation mechanism and a preliminary contribution to the understanding of the role of the hydrogen bonding in the interface phenomena is also reported. It is the first time that thermodynamic data of a ternary system are collected by mean of nano-isothermal titration calorimetry (nano-ITC). Supporting
Directory of Open Access Journals (Sweden)
Farnaz Fekri
Full Text Available Drug delivery to tumors is limited by several factors, including drug permeability of the target cell plasma membrane. Ultrasound in combination with microbubbles (USMB is a promising strategy to overcome these limitations. USMB treatment elicits enhanced cellular uptake of materials such as drugs, in part as a result of sheer stress and formation of transient membrane pores. Pores formed upon USMB treatment are rapidly resealed, suggesting that other processes such as enhanced endocytosis may contribute to the enhanced material uptake by cells upon USMB treatment. How USMB regulates endocytic processes remains incompletely understood. Cells constitutively utilize several distinct mechanisms of endocytosis, including clathrin-mediated endocytosis (CME for the internalization of receptor-bound macromolecules such as Transferrin Receptor (TfR, and distinct mechanism(s that mediate the majority of fluid-phase endocytosis. Tracking the abundance of TfR on the cell surface and the internalization of its ligand transferrin revealed that USMB acutely enhances the rate of CME. Total internal reflection fluorescence microscopy experiments revealed that USMB treatment altered the assembly of clathrin-coated pits, the basic structural units of CME. In addition, the rate of fluid-phase endocytosis was enhanced, but with delayed onset upon USMB treatment relative to the enhancement of CME, suggesting that the two processes are distinctly regulated by USMB. Indeed, vacuolin-1 or desipramine treatment prevented the enhancement of CME but not of fluid phase endocytosis upon USMB, suggesting that lysosome exocytosis and acid sphingomyelinase, respectively, are required for the regulation of CME but not fluid phase endocytosis upon USMB treatment. These results indicate that USMB enhances both CME and fluid phase endocytosis through distinct signaling mechanisms, and suggest that strategies for potentiating the enhancement of endocytosis upon USMB treatment may
A fluid biopsy as investigating technology for the fluid phase of solid tumors
Kuhn, Peter; Bethel, Kelly
2012-02-01
, which has shown predictive utility in several cancer types—the blurry outlines of things to come began to coalesce. The field of CTC research is in its adolescence; enumeration and characterization research effort is methodologically varied, vigorously individuated and rich in innovation. The high definition CTC (HD-CTC) assay described herein and applied to several currently relevant research questions about cancer spread represents a new measure of an internal biologic process that will hopefully lead to great advancements in cancer medicine. First, the paper entitled 'Fluid biopsy in patients with metastatic prostate, pancreatic and breast cancers' by Marrinucci et al, represents the initial technical and clinical validation of an enrichment-free assay and demonstrates our ability to identify significant numbers of HD-CTCs in a majority of patients with prostate, breast and pancreatic cancers. It demonstrates very high rates of detection (>50%) in breast, prostate and pancreatic cancer patients with no CTCs found in normal control subjects. The assay detects significantly higher numbers of CTCs than the FDA-approved Cellsearch® assay and shows the presence of clusters of CTCs in many patients. The nature of the clusters is further evaluated in 'Characterization of circulating tumor cell aggregates identified in patients with epithelial tumors' by Cho et al, wherein CTC aggregates are identified in 43% of 86 patient samples. The fraction of CTC aggregation was investigated in blood draws from 24 breast, 14 non-small cell lung (NSCLC), 18 pancreatic, 15 prostate stage IV cancer patients and 15 normal blood donors (NBD). Cells contained in CTC aggregates had less area and length, on average, than single CTCs. The nuclear to cytoplasmic (N/C) ratio between single CTCs and CTC aggregates was similar. To assist with translating into patients the substantial cell biology work done using cell line cells instead of human tumor tissue, the paper entitled 'Cytometric
DEFF Research Database (Denmark)
Tsivintzelis, Ioannis; Ali, Shahid; Kontogeorgis, Georgios
2015-01-01
The thermodynamic properties of pure gaseous, liquid or supercritical CO2 and CO2 mixtures with hydrocarbons and other compounds such as water, alcohols, and glycols are very important in many processes in the oil and gas industry. Design of such processes requires use of accurate thermodynamic...... models, capable of predicting the complex phase behavior of multicomponent mixtures as well as their volumetric properties. In this direction, over the last several years, the cubic-plus-association (CPA) thermodynamic model has been successfully used for describing volumetric properties and phase...
Stackelberg equilibria and horizontal differentiation
Lambertini, Luca
1993-01-01
This paper proposes a taxonomy of the Stackelberg equilibria emerging from a standard game of horizontal differentiation à la Hotelling in which the strategy set of the sellers in the location stage is the real axis. Repeated leadership appears the most advantageous position. Furthermore, this endogenously yields vertical differentiation between products at equilibrium.
The mechanism of reequilibration of solids in the presence of a fluid phase
International Nuclear Information System (INIS)
Putnis, Andrew; Putnis, Christine V.
2007-01-01
The preservation of morphology (pseudomorphism) and crystal structure during the transformation of one solid phase to another is regularly used as a criterion for a solid-state mechanism, even when there is a fluid phase present. However, a coupled dissolution-reprecipitation mechanism also preserves the morphology and transfers crystallographic information from parent to product by epitaxial nucleation. The generation of porosity in the product phase is a necessary condition for such a mechanism as it allows fluid to maintain contact with a reaction interface which moves through the parent phase from the original surface. We propose that interface-coupled dissolution-reprecipitation is a general mechanism for reequilibration of solids in the presence of a fluid phase. - Graphical abstract: A single crystal of KBr is transformed to a porous single crystal of KCl by immersion in saturated KCl solution. The image shows partial transformation of a crystal of KBr (core) to KCl (porous, milky rim) by an interface coupled dissolution-reprecipitation mechanism. The external dimensions and crystallographic orientation of the original crystal are preserved, while a reaction interface moves through the crystal
Direct numerical simulations of fluid flow, heat transfer and phase changes
Juric, D.; Tryggvason, G.; Han, J.
1997-01-01
Direct numerical simulations of fluid flow, heat transfer, and phase changes are presented. The simulations are made possible by a recently developed finite difference/front tracking method based on the one-field formulation of the governing equations where a single set of conservation equations is written for all the phases involved. The conservation equations are solved on a fixed rectangular grid, but the phase boundaries are kept sharp by tracking them explicitly by a moving grid of lower dimension. The method is discussed and applications to boiling heat transfer and the solidification of drops colliding with a wall are shown.
DEFF Research Database (Denmark)
Tsivintzelis, Ioannis; Kontogeorgis, Georgios M.
2015-01-01
of CPA for ternary and multicomponent CO2 mixtures containing alcohols (methanol, ethanol or propanol) water and hydrocarbons. This work belongs to a series of studies aiming to arrive in a single "engineering approach" for applying CPA to acid gas mixtures, without introducing significant changes...... to the model. In this direction, CPA results were obtained using various approaches, i.e. different association schemes for pure CO2 (assuming that it is a non-associating compound, or that it is a self-associating fluid with two, three or four association sites) and different possibilities for modelling...... mixtures of CO2 with water and alcohols (only use of one interaction parameter kij or assuming cross-association interactions and obtaining the relevant parameters either via a combining rule or using an experimental value for the cross-association energy). It is concluded that CPA is a powerful model...
Phase equilibria in the Zr-Si-B ternary system (Zr-Si-ZrB{sub 2} region) at 1 173 K
Energy Technology Data Exchange (ETDEWEB)
Han, Feng; Luo, Hao [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Lab. of Processing for Non-ferrous Metal and Featured Materials; Zhan, Yongzhong [Guangxi Univ., Nanning (China). College of Materials Science and Engineering; Guangxi Univ., Nanning (China). Guangxi Key Lab. of Processing for Non-ferrous Metal and Featured Materials; Guangxi Univ., Nanning (China). Center of Ecological Collaborative Innovation for Aluminum Industry
2017-10-15
The isothermal section of the Zr-Si-B ternary system (Zr-Si-ZrB{sub 2} region) at 1 173 K has been experimentally determined. All equilibrated alloys were characterized via X-ray powder diffraction and scanning electron microscopy equipped with energy-dispersive X-ray analysis. A ternary phase Zr{sub 5}(Si{sub 0.86}B{sub 0.14}){sub 3} was found at 1 173 K. The experimental results show that the isothermal section consists of 11 single-phase regions, 26 two-phase regions and 13 three-phase regions. The existence of eight compounds, i.e. ZrSi{sub 2}, ZrSi, Zr{sub 5}Si{sub 4}, Zr{sub 3}Si{sub 2}, Zr{sub 2}Si, ZrB, ZrB{sub 2} and Zr{sub 5}(Si{sub 0.86}B{sub 0.14}){sub 3} in this system has been confirmed in the Zr-Si-ZrB{sub 2} region at 1 173 K.
International Nuclear Information System (INIS)
Khalik, M.S.; Peters, C.J.
2006-01-01
The increasing quantity of carbon dioxide (CO 2 ) in the atmosphere has caused widespread global concerns. Capturing CO 2 from its sources and stored it in the form of gas hydrates and application of CO 2 hydrates are among the proposed methods to overcome this problem. In order to make hydrate-based process more attractive, the use of cyclic ethers as promoters is suggested to reduce the required hydrate formation pressure and enhancing the corresponding kinetic rate. In the present work, tetrahydrofuran (THF) is chosen as a hydrate promoter, participating in forming hydrates and produces mixed hydrate together with CO 2 . The pressure and temperature ranges of hydrate stability region are carefully determined through phase equilibrium measurement of the ternary CO 2 , tetrahydrofuran (THF) and water systems. From the experimental results, it is confirmed that the presence of THF in CO 2 + water systems will extend the hydrate formation region to higher temperature at a constant pressure. The extension of the hydrate stability region is depended on the overall concentration of the ternary system. Moreover, four-phase equilibrium of H-Lw-Lv-V is observed in the system, which may be due to a liquid phase split. In the region where the four-phase equilibrium exists, the ternary system loses its concentration dependency of the hydrate equilibrium conditions. (Author)
Thermal analysis and prediction of phase equilibria in the TiO{sub 2}-Bi{sub 2}O{sub 3} system
Energy Technology Data Exchange (ETDEWEB)
Lopez-Martinez, Jaqueline, E-mail: jacky-411@hotmail.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico D.F (Mexico); Romero-Serrano, Antonio, E-mail: romeroipn@hotmail.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico D.F (Mexico); Hernandez-Ramirez, Aurelio, E-mail: aurelioh@hotmail.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico D.F (Mexico); Zeifert, Beatriz, E-mail: bzeifert@yahoo.com [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico D.F (Mexico); Gomez-Yanez, Carlos, E-mail: cgomezy@ipn.mx [Metallurgy and Materials Department, Instituto Politecnico Nacional-ESIQIE, Apdo. P. 118-431, 07051 Mexico D.F (Mexico); Martinez-Sanchez, Roberto, E-mail: roberto.martinez@cimav.edu.mx [CIMAV, Av. Miguel de Cervantes 120, Chihuahua C.P.31109 (Mexico)
2011-03-20
A thermodynamic study on the TiO{sub 2}-Bi{sub 2}O{sub 3} system was carried out using differential thermal analysis (DTA) and X-Ray diffraction (XRD) techniques covering the composition range from 65 to 90 mol% Bi{sub 2}O{sub 3}. From the XRD results the only two intermediate compounds in the Bi{sub 2}O{sub 3} rich region were Bi{sub 4}Ti{sub 3}O{sub 12} and Bi{sub 12}TiO{sub 20}. The Bi{sub 4}Ti{sub 3}O{sub 12} phase presents the well known plate-like morphology. The experimentally determined phase transition temperatures with DTA technique were compared with thermodynamic calculated results and good agreement was obtained. The DTA results also showed that the limit of the peritectic reaction between liquid and Bi{sub 4}Ti{sub 3}O{sub 12} occurs approximately at 90 mol% Bi{sub 2}O{sub 3}. The phase diagram of the TiO{sub 2}-Bi{sub 2}O{sub 3} system was calculated using a quasichemical model for the liquid phase. The thermodynamic properties of the intermediate compounds were estimated from the data of TiO{sub 2} and Bi{sub 2}O{sub 3} pure solids. In this manner, data for this binary system have been analysed and represented with a small adjustable parameter for the liquid phase.
Oprisan, Ana; Oprisan, Sorinel A; Hegseth, John J; Garrabos, Yves; Lecoutre-Chabot, Carole; Beysens, Daniel
2014-09-01
Phase separation has important implications for the mechanical, thermal, and electrical properties of materials. Weightless conditions prevent buoyancy and sedimentation from affecting the dynamics of phase separation and the morphology of the domains. In our experiments, sulfur hexafluoride (SF6) was initially heated about 1K above its critical temperature under microgravity conditions and then repeatedly quenched using temperature steps, the last one being of 3.6 mK, until it crossed its critical temperature and phase-separated into gas and liquid domains. Both full view (macroscopic) and microscopic view images of the sample cell unit were analyzed to determine the changes in the distribution of liquid droplet diameters during phase separation. Previously, dimple coalescences were only observed in density-matched binary liquid mixture near its critical point of miscibility. Here we present experimental evidences in support of dimple coalescence between phase-separated liquid droplets in pure, supercritical, fluids under microgravity conditions. Although both liquid mixtures and pure fluids belong to the same universality class, both the mass transport mechanisms and their thermophysical properties are significantly different. In supercritical pure fluids the transport of heat and mass are strongly coupled by the enthalpy of condensation, whereas in liquid mixtures mass transport processes are purely diffusive. The viscosity is also much smaller in pure fluids than in liquid mixtures. For these reasons, there are large differences in the fluctuation relaxation time and hydrodynamics flows that prompted this experimental investigation. We found that the number of droplets increases rapidly during the intermediate stage of phase separation. We also found that above a cutoff diameter of about 100 microns the size distribution of droplets follows a power law with an exponent close to -2, as predicted from phenomenological considerations.
Two-phase flow modeling for low concentration spherical particle motion through a Newtonian fluid
CSIR Research Space (South Africa)
Smit GJF
2010-11-01
Full Text Available the necessity to model the discrete nature of sep- cite this article in press as: G.J.F. Smit et al., Two-phase flow modeling for low concentration spherical particle motion through a ian fluid, Appl. Math. Comput. (2010), doi:10.1016/j.amc.2010.07.055 2... and Ribberin large-scale and long term morphologica Please cite this article in press as: G.J.F. Smit Newtonian fluid, Appl. Math. Comput. (2010), � 2010 Elsevier Inc. All rights reserved. modeling of multiphase flow has increasingly become the subject...
The investigation of a two-layer fluid soliton pair using phase plane analysis
International Nuclear Information System (INIS)
Momeni, M.; Moslehi-Fard, M.; Alinejad, H.; Mahmoodi, J.
2004-01-01
Nonlinear long waves theory in a two-layer fluid system has been studied. The dynamical equations according to the normalized heights in first order are obtained using the reductive perturbation method and the equations of shallow water in each fluid and taking boundary conditions appropriate into account. Conserve energy form by definition a independent variable is found. By definition a Lyapunov function, the condition for stability are shown. A new technique was used to prove stability as well as existence of soliton pair using phase plane analysis. (author)
International Nuclear Information System (INIS)
Iskanderani, F.; Sobhi, K.M.; Ejaz, M.
1989-01-01
Normal heptane, xylene and a 0.01 molar solution of 4-(5-nonyl)pyridine in toluene were investigated as extractants for selenium(IV) from nitric acid media in potassium iodide. Various parameters affecting the distribution of the element are investigated. Extraction at high aqueous to organic phase volume ratio was studied, using a liquid-liquid extraction plant with a pulsation column. The results were employed to measure selenium in spiked water samples. (author) 24 refs.; 8 figs
High-Pressure Phase Equilibria in Systems Containing CO2 and Ionic Liquid of the [Cnmim][Tf2N] Type
Sedláková, Z. (Zuzana); Wagner, Z. (Zdeněk)
2012-01-01
In this review, we present a comparison of the high-pressure phase behaviour of binary systems constituted of CO2 and ionic liquids of the [Cn(m)mim][Tf2N] type. The comparative study shows that the solubility of CO2 in ionic liquids of the [Cnmim][Tf2N] type generally increases with increasing pressure and decreasing temperature, but some peculiarities have been observed. The solubility of CO2 in ionic liquid solvents was correlated using the Soave–Redlich–Kwong equation of state. The result...
International Nuclear Information System (INIS)
Tan, K.B.; Chon, M.P.; Khaw, C.C.; Zainal, Z.; Taufiq Yap, Y.H.; Tan, P.Y.
2014-01-01
Highlights: • Novel BCT monoclinic zirconolite phase was prepared through solid state reaction. • Comprehensive study of reaction mechanism was performed by careful firing control. • Qualitative structural and phase analyses were conducted. • Electrical response in broad range of temperature and frequency was investigated. - Abstract: Synthesis of novel monoclinic zirconolite, Bi 1.92 Cu 0.08 (Cu 0.3 Ta 0.7 ) 2 O 7.06 (β-BCT) using solid state reaction had been finalised at the firing temperature of 900 °C over 24 h. The X–ray diffraction pattern of β-BCT was fully indexed on a monoclinic symmetry, space group, C2/c with lattice constants, a = 13.1052 (8), b = 7.6749 (5), c = 12.162 (6), α = γ = 90° and β = 101.32° (1), respectively. The reaction mechanism study indicated phase formation was greatly influenced by the reaction between intermediate bismuth tantalate binary phases and CuO at elevated temperatures. β-BCT was thermally stable up to a temperature of 900 °C and contained spherulite grains with sizes ranging from 1 to 14 μm. Electrical properties of this material were characterised over a broad temperature range covering temperatures from 10 K to 874 K. At the temperature of 304 K, two semicircles were discernible in complex Cole–Cole plot showing an insulating grain boundary with C gb = 6.63 × 10 −9 F cm −1 and a bulk response capacitance, C b = 6.74 × 10 −12 F cm −1 . The Power law frequency-dependent ac conductivity of β-BCT was apparent in three frequency regimes; a low–frequency plateau regime, a high-frequency plateau regime and a dispersive regime taking place in the temperature range of 220–576 K. The frequency-dependent ac conductivity of β-BCT with increasing temperature was attributed to the thermal activated electrical conduction mechanism within the structure
Study of phase equilibria in LiIn(MoO4)2 - MeIn(MoO4)2 (Me - K, Rb) systems
International Nuclear Information System (INIS)
Smirnyagina, N.N.; Kozhevnikova, N.M.; Alekseev, F.P.; Mokhosoev, M.V.
1983-01-01
To determine the possibilities of formation of ternary molybdates, containing two different alkali cations and a cation of trivalent element, the qUasibinary LiIn(MoO 4 ) 2 -MeIn(MoO 4 ) 2 cross-sections of quaternary Li 2 O-Me 2 O-In 2 O 3 -MoO 3 , (Me-K, Rb) systems have been studied. Methods of X-ray phase-, differential thermal- and crystal optical analyses were used. The studied systems are eutectics with segregation; ternary compounds are not formed in theM
Numerical modeling of two-phase binary fluid mixing using mixed finite elements
Sun, Shuyu
2012-07-27
Diffusion coefficients of dense gases in liquids can be measured by considering two-phase binary nonequilibrium fluid mixing in a closed cell with a fixed volume. This process is based on convection and diffusion in each phase. Numerical simulation of the mixing often requires accurate algorithms. In this paper, we design two efficient numerical methods for simulating the mixing of two-phase binary fluids in one-dimensional, highly permeable media. Mathematical model for isothermal compositional two-phase flow in porous media is established based on Darcy\\'s law, material balance, local thermodynamic equilibrium for the phases, and diffusion across the phases. The time-lag and operator-splitting techniques are used to decompose each convection-diffusion equation into two steps: diffusion step and convection step. The Mixed finite element (MFE) method is used for diffusion equation because it can achieve a high-order and stable approximation of both the scalar variable and the diffusive fluxes across grid-cell interfaces. We employ the characteristic finite element method with moving mesh to track the liquid-gas interface. Based on the above schemes, we propose two methods: single-domain and two-domain methods. The main difference between two methods is that the two-domain method utilizes the assumption of sharp interface between two fluid phases, while the single-domain method allows fractional saturation level. Two-domain method treats the gas domain and the liquid domain separately. Because liquid-gas interface moves with time, the two-domain method needs work with a moving mesh. On the other hand, the single-domain method allows the use of a fixed mesh. We derive the formulas to compute the diffusive flux for MFE in both methods. The single-domain method is extended to multiple dimensions. Numerical results indicate that both methods can accurately describe the evolution of the pressure and liquid level. © 2012 Springer Science+Business Media B.V.
Simulation of horizontal pipe two-phase slug flows using the two-fluid model
Energy Technology Data Exchange (ETDEWEB)
Ortega Malca, Arturo J. [Pontificia Univ. Catolica do Rio de Janeiro, RJ (Brazil). Dept. de Engenharia Mecanica. Nucleo de Simulacao Termohidraulica de Dutos (SIMDUT); Nieckele, Angela O. [Pontificia Univ. Catolica do Rio de Janeiro, RJ (Brazil). Dept. de Engenharia Mecanica
2005-07-01
Slug flow occurs in many engineering applications, mainly in the transport of hydrocarbon fluids in pipelines. The intermittency of slug flow causes severe unsteady loading on the pipelines carrying the fluids, which gives rise to design problems. Therefore, it is important to be able to predict the onset and development of slug flow as well as slug characteristics. The present work consists in the simulation of two-phase flow in slug pattern through horizontal pipes using the two-fluid model in its transient and one-dimensional form. The advantage of this model is that the flow field is allowed to develop naturally from a given initial conditions as part of the transient calculation; the slug evolves automatically as a product of the computed flow development. Simulations are then carried out for a large number of flow conditions that lead a slug flow. (author)
Phase-resolved fluid dynamic forces of a flapping foil energy harvester based on PIV measurements
Liburdy, James
2017-11-01
Two-dimensional particle image velocimetry measurements are performed in a wind tunnel to evaluate the spatial and temporal fluid dynamic forces acting on a flapping foil operating in the energy harvesting regime. Experiments are conducted at reduced frequencies (k = fc/U) of 0.05 - 0.2, pitching angle of, and heaving amplitude of A / c = 0.6. The phase-averaged pressure field is obtained by integrating the pressure Poisson equation. Fluid dynamic forces are then obtained through the integral momentum equation. Results are compared with a simple force model based on the concept of flow impulse. These results help to show the detailed force distributions, their transient nature and aide in understanding the impact of the fluid flow structures that contribute to the power production.
Ferraro, N. M.; Jardin, S. C.; Lao, L. L.; Shephard, M. S.; Zhang, F.
2016-05-01
Free-boundary 3D tokamak equilibria and resistive wall instabilities are calculated using a new resistive wall model in the two-fluid M3D-C1 code. In this model, the resistive wall and surrounding vacuum region are included within the computational domain. This implementation contrasts with the method typically used in fluid codes in which the resistive wall is treated as a boundary condition on the computational domain boundary and has the advantage of maintaining purely local coupling of mesh elements. This new capability is used to simulate perturbed, free-boundary non-axisymmetric equilibria; the linear evolution of resistive wall modes; and the linear and nonlinear evolution of axisymmetric vertical displacement events (VDEs). Calculated growth rates for a resistive wall mode with arbitrary wall thickness are shown to agree well with the analytic theory. Equilibrium and VDE calculations are performed in diverted tokamak geometry, at physically realistic values of dissipation, and with resistive walls of finite width. Simulations of a VDE disruption extend into the current-quench phase, in which the plasma becomes limited by the first wall, and strong currents are observed to flow in the wall, in the SOL, and from the plasma to the wall.
Energy Technology Data Exchange (ETDEWEB)
Ferraro, N. M., E-mail: nferraro@pppl.gov; Lao, L. L. [General Atomics, La Jolla, California 92186 (United States); Jardin, S. C. [Princeton Plasma Physics Laboratory, Princeton, New Jersey 08543 (United States); Shephard, M. S.; Zhang, F. [Rensselaer Polytechnic Institute, Troy, New York 12180 (United States)
2016-05-15
Free-boundary 3D tokamak equilibria and resistive wall instabilities are calculated using a new resistive wall model in the two-fluid M3D-C1 code. In this model, the resistive wall and surrounding vacuum region are included within the computational domain. This implementation contrasts with the method typically used in fluid codes in which the resistive wall is treated as a boundary condition on the computational domain boundary and has the advantage of maintaining purely local coupling of mesh elements. This new capability is used to simulate perturbed, free-boundary non-axisymmetric equilibria; the linear evolution of resistive wall modes; and the linear and nonlinear evolution of axisymmetric vertical displacement events (VDEs). Calculated growth rates for a resistive wall mode with arbitrary wall thickness are shown to agree well with the analytic theory. Equilibrium and VDE calculations are performed in diverted tokamak geometry, at physically realistic values of dissipation, and with resistive walls of finite width. Simulations of a VDE disruption extend into the current-quench phase, in which the plasma becomes limited by the first wall, and strong currents are observed to flow in the wall, in the SOL, and from the plasma to the wall.
A Two-Phase Solid/Fluid Model for Dense Granular Flows Including Dilatancy Effects
Mangeney, Anne; Bouchut, Francois; Fernandez-Nieto, Enrique; Narbona-Reina, Gladys
2015-04-01
We propose a thin layer depth-averaged two-phase model to describe solid-fluid mixtures such as debris flows. It describes the velocity of the two phases, the compression/dilatation of the granular media and its interaction with the pore fluid pressure, that itself modifies the friction within the granular phase (Iverson et al., 2010). The model is derived from a 3D two-phase model proposed by Jackson (2000) based on the 4 equations of mass and momentum conservation within the two phases. This system has 5 unknowns: the solid and fluid velocities, the solid and fluid pressures and the solid volume fraction. As a result, an additional equation inside the mixture is necessary to close the system. Surprisingly, this issue is inadequately accounted for in the models that have been developed on the basis of Jackson's work (Bouchut et al., 2014). In particular, Pitman and Le replaced this closure simply by imposing an extra boundary condition at the surface of the flow. When making a shallow expansion, this condition can be considered as a closure condition. However, the corresponding model cannot account for a dissipative energy balance. We propose here an approach to correctly deal with the thermodynamics of Jackson's equations. We close the mixture equations by a weak compressibility relation involving a critical density, or equivalently a critical pressure. Moreover, we relax one boundary condition, making it possible for the fluid to escape the granular media when compression of the granular mass occurs. Furthermore, we introduce second order terms in the equations making it possible to describe the evolution of the pore fluid pressure in response to the compression/dilatation of the granular mass without prescribing an extra ad-hoc equation for the pore pressure. We prove that the energy balance associated with this Jackson closure is dissipative, as well as its thin layer associated model. We present several numerical tests for the 1D case that are compared to the
Phase equilibria and crystal chemistry of the CaO-½Gd2O3-CoOz system at 885 °C in air
Wong-Ng, W.; Laws, W.; Lapidus, S. H.; Ribaud, L.; Kaduk, J. A.
2017-10-01
The CaO-½Gd2O3-CoOz system prepared at 885 °C in air consists of two thermoelectric calcium cobaltate compounds, namely, the 2D thermoelectric oxide solid solution, (Ca3-xGdx)Co4O9-z (0 ≤ x ≤ 0.42) which has a misfit layered structure, and the 1D Ca3Co2O6 compound which consists of chains of alternating CoO6 trigonal prisms and CoO6 octahedra. Ca3Co2O6 was found to be a point compound. In the peripheral binary systems, Gd was not present in the Ca site of CaO, while a small solid solution region was identified for (Gd1-xCax)O(3-z)/2 (0 ≤ x ≤ 0.075). A solid solution region of distorted perovskite, (Gd1-xCax)CoO3-z (0 ≤ x ≤ 0.24, space group Pnma) was established. The structure of a member of the solid solution, (Gd0.92Ca0.08)CoO3-z, was determined using high resolution synchrotron radiation. A ternary oxide compound CaGdCoO4-z which has an orthorhombic structure (Bmab) was found to be stable at this temperature. Five solid solution tie-line regions and six three-phase regions were determined in the CaO-½Gd2O3-CoOz system. A comparison of the phase diagrams of the CaO-½R2O3-CoOz (R = La, Sm and Gd) systems is provided.
Zhitova, L.; Borisenko, A.; Morgunov, K.; Zhukova, I.
2007-12-01
Fluid inclusions in quartz of the Merensky Reef (Bushveld Complex, South Africa) and the Chineisky Pluton (Transbaikal Region, Russia) were studied using cryometry, microthermometry, Raman-spectroscopy, LA ICP- MS, scanning electronic microscopy, gas-chromatography and isotopic methods. This allowed us to document some examples of fluid phase separation resulting in formation of different types of PGE-sulfide mineralization for layered basic intrusions. The results obtained show at least three generations of fluid separated from boiling residual alumosilicate intercumulus liquid of the Merensky Reef. The earliest fluid phase composed of homogenous high-dense methane and nitrogen gas mixture was identified in primary gas and co-existing anomalous fluid inclusions from symplectitic quartz. The next generation, heterophase fluid, composed of brines containing a free low-dense (mostly of carbon dioxide) gas phase, was observed in primary multiphase and coexisting gas-rich inclusions of miarolitic quartz crystals. The latest generation was also a heterophase fluid (low salinity water-salt solution and free low-dense methane gas phase) found in primary water-salt and syngenetic gas inclusions from peripheral zones of miarolitic quartz crystals. For the Chineisky Pluton reduced endocontact magmatogene fluids changed to oxidized low salinity hydrothermal fluids in exocontact zone. This resulted in formation of sulfide-PGE enrichment marginal zones of intrusion. The results obtained give us a possibility to suggest that: 1) Fluid phase separation is a typical feature of magmatogene fluids for layered basic intrusions. 2) Reduced fluids can extract and transport substantial PGE and sulfide concentrations. 3) Oxidation of reduced fluids is one of the most important geochemical barriers causing abundant PGE minerals and sulfides precipitation. This in turn results in both formation of PGE reefs or enriched contact zones of layered basic intrusions. This work was supported by
DEFF Research Database (Denmark)
Yan, Wei; Kontogeorgis, Georgios; Stenby, Erling Halfdan
2009-01-01
to reservoir fluids in presence of water and polar chemical Such as methanol and monoethylene glycol. With a minimum number of adjustable parameters from binary pairs, satisfactory results have been obtained for different types of phase equilibria in reservoir fluid systems and several relevant model......The complex phase equilibrium between reservoir fluids and associating compounds like water, methanol and glycols has become more and more important as the increasing global energy demand pushes the oil industry to target reservoirs with extreme or complicated conditions, such as deep or offshore...
MINTEQ, Geochemical Equilibria in Ground Water
International Nuclear Information System (INIS)
Krupka, K.M.
1990-01-01
1 - Description of program or function: MINTEQ is a geochemical program to model aqueous solutions and the interactions of aqueous solutions with hypothesized assemblages of solid phases. It was developed for the Environmental Protection Agency to perform the calculations necessary to simulate the contact of waste solutions with heterogeneous sediments or the interaction of ground water with solidified wastes. MINTEQ can calculate ion speciation/solubility, adsorption, oxidation-reduction, gas phase equilibria, and precipitation/dissolution of solid phases. MINTEQ can accept a finite mass for any solid considered for dissolution and will dissolve the specified solid phase only until its initial mass is exhausted. This ability enables MINTEQ to model flow-through systems. In these systems the masses of solid phases that precipitate at earlier pore volumes can be dissolved at later pore volumes according to thermodynamic constraints imposed by the solution composition and solid phases present. The ability to model these systems permits evaluation of the geochemistry of dissolved traced metals, such as low-level waste in shallow land burial sites. MINTEQ was designed to solve geochemical equilibria for systems composed of one kilogram of water, various amounts of material dissolved in solution, and any solid materials that are present. Systems modeled using MINTEQ can exchange energy and material (open systems) or just energy (closed systems) with the surrounding environment. Each system is composed of a number of phases. Every phase is a region with distinct composition and physically definable boundaries. All of the material in the aqueous solution forms one phase. The gas phase is composed of any gaseous material present, and structurally distinct solid forms a separate phase. 2 - Method of solution: MINTEQ applies the fundamental principles of thermodynamics to solve geochemical equilibria from a set of mass balance equations, one for each component. Because the
Ex vivo characterization of pathologic fluids with quantitative phase-contrast computed tomography
Energy Technology Data Exchange (ETDEWEB)
Richter, Vivien, E-mail: vivien.richter@med.uni-tuebingen.de [Department of Diagnostic and Interventional Radiology, Eberhard Karls Universität Tübingen, Hoppe-Seyler-Weg 3, 72076 Tuebingen (Germany); Willner, Marian S., E-mail: marian.willner@ph.tum.de [Department of Physics & Institute of Medical Engineering, Technische Universität München, James-Franck-Strasse 1, 85748 Garching (Germany); Henningsen, John, E-mail: john.henningsen@tum.de [Department of Physics & Institute of Medical Engineering, Technische Universität München, James-Franck-Strasse 1, 85748 Garching (Germany); Birnbacher, Lorenz, E-mail: lorenz.birnbacher@ph.tum.de [Department of Physics & Institute of Medical Engineering, Technische Universität München, James-Franck-Strasse 1, 85748 Garching (Germany); Marschner, Mathias, E-mail: mathias.marschner@ph.tum.de [Department of Physics & Institute of Medical Engineering, Technische Universität München, James-Franck-Strasse 1, 85748 Garching (Germany); Herzen, Julia, E-mail: julia.herzen@ph.tum.de [Department of Physics & Institute of Medical Engineering, Technische Universität München, James-Franck-Strasse 1, 85748 Garching (Germany); Kimm, Melanie A., E-mail: melanie.kimm@tum.de [Department of Diagnostic and Interventional Radiology, Technische Universität München, Ismaninger Str. 22, 81675 Munich (Germany); and others
2017-01-15
Purpose: X-ray phase-contrast imaging (PCI) provides additional information beyond absorption characteristics by detecting the phase shift of the X-ray beam passing through material. The grating-based system works with standard polychromatic X-ray sources, promising a possible clinical implementation. PCI has been shown to provide additional information in soft-tissue samples. The aim of this study was to determine if ex vivo quantitative phase-contrast computed tomography (PCCT) may differentiate between pathologic fluid collections. Materials and methods: PCCT was performed with the grating interferometry method. A protein serial dilution, human blood samples and 17 clinical samples of pathologic fluid retentions were imaged and correlated with clinical chemistry measurements. Conventional and phase-contrast tomography images were reconstructed. Phase-contrast Hounsfield Units (HUp) were used for quantitative analysis analogously to conventional HU. The imaging was analyzed using overall means, ROI values as well as whole-volume-histograms and vertical gradients. Contrast to noise ratios were calculated between different probes and between imaging methods. Results: HUp showed a very good linear correlation with protein concentration in vitro. In clinical samples, HUp correlated rather well with cell count and triglyceride content. PCI was better than absorption imaging at differentiating protein concentrations in the protein samples as well as at differentiating blood plasma from cellular components. PCI also allowed for differentiation of watery samples (such as lymphoceles) from pus. Conclusion: Phase-contrast computed tomography is a promising tool for the differentiation of pathologic fluids that appear homogenous with conventional attenuation imaging.
US-UK Phase 3 Task 1 Oxidation in Supercritical Fluids
Energy Technology Data Exchange (ETDEWEB)
Holcomb, Gordon R. [National Energy Technology Lab. (NETL), Albany, OR (United States)
2017-03-20
A presentation of the US-UK Phase 3 Task 1 Oxidation in Supercritical Fluids. Includes slides on Supercritical Steam, sCO_{2} Power Cycles – Indirect, sCO_{2} Power Cycles – Direct, Experimental Exposures, Alloys, Why Si, Results—Ni-xCr Alloys (5-24Cr), Fatigue Crack Growth$-$Experiment, and Alloys and Samples, Fatigue Crack Growth—Results (H282).
Lattice Boltzmann simulations of liquid crystalline fluids: active gels and blue phases
Cates, M. E.; Henrich, O.; Marenduzzo, D.; Stratford, K.
2010-01-01
Lattice Boltzmann simulations have become a method of choice to solve the hydrodynamic equations of motion of a number of complex fluids. Here we review some recent applications of lattice Boltzmann to study the hydrodynamics of liquid crystalline materials. In particular, we focus on the study of (a) the exotic blue phases of cholesteric liquid crystals, and (b) active gels - a model system for actin plus myosin solutions or bacterial suspensions. In both cases lattice Boltzmann studies have...
Phase Envelope Calculations for Reservoir Fluids in the Presence of Capillary Pressure
DEFF Research Database (Denmark)
Lemus, Diego; Yan, Wei; Michelsen, Michael L.
2015-01-01
the bubble and dew point curves but also other quality lines with vapor fractions between 0 and 1. The algorithm has been used to calculate the phase envelopes of binary, multicomponent and reservoir fluid systems for pore radius from 10 to 50 nm. The presence of capillary pressure changes the saturation...... pressures in the whole phase envelope except at the critical point. The bubble point curve shows a negative change while the dew point curve shows positive and negative changes in the upper dew point branch and the lower dew point branch, respectively. In particular, the cricondentherm is also shifted...
Simulating the phosphorus fluid-liquid phase transition up to the critical point
International Nuclear Information System (INIS)
Ghiringhelli, Luca M; Meijer, Evert Jan
2007-01-01
We report a Car-Parrinello molecular dynamics study of the temperature dependence of the fluid-liquid phase transition in phosphorous, involving the transformation of a molecular fluid phase into a network-like phase. We employed density-functional theory (DFT) with a gradient-corrected functional (B-LYP) to describe the electronic structure and interatomic interactions and performed simulations in a constant pressure ensemble. We spanned a temperature interval ranging from 2500 to 3500 K. With increasing temperature, we found that the structural conversion from the molecular P 4 fluid into the network liquid occurs at decreasing pressures, consistent with experimental observations. At lower temperatures the transition is characterized by a sudden increase of density in the sample. The magnitude of the density change decreases with increasing temperature and vanishes at 3500 K. In the temperature range 3100-3500 K we found signals of near- and super-criticality. We identified local structural changes that serve as seeds triggering the overall structural transition
Abdelkader, Hamdy; Abdallah, Ossama Y; Salem, Hesham; Alani, Adam W G; Alany, Raid G
2014-10-01
The solid-state interactions of fused mixtures nimesulide (ND) with polyethylene glycol (PEG) 4000, urea or mannitol were studied through constructing thaw-melt phase equilibrium diagrams. The solid-state characteristics were investigated using differential scanning calorimetry (DSC) and X-ray diffraction (XRD). Various types of interactions were identified such as the formation of a eutectic system of ND-PEG 4000, monotectic system of ND-urea and complete solid immiscibility of ND with mannitol. The effects of carrier concentrations on the equilibrium solubility and in-vitro dissolution characteristics were studied. Linear increases (R(2) > 0.99) in the aqueous solubility of ND in various concentrations of PEG 4000 and urea were obtained, whereas mannitol did not exhibit any effect on the solubility of ND. Similar trends were obtained with the dissolution efficiency of the fused mixtures of ND with PEG 4000 and urea compared with the corresponding physical mixtures and untreated drug. The analgesic effects of untreated ND and the selected formulations were investigated by evaluating the drug's ability to inhibit the acetic acid-induced writhing response. The analgesic effect of ND in a eutectic mixture with PEG 4000 and a monotectic mixture with urea was potentiated by 3.2 and 2.7-fold respectively compared with the untreated drug. © 2014 Royal Pharmaceutical Society.
Nash Equilibria in Fisher Market
Adsul, Bharat; Babu, Ch. Sobhan; Garg, Jugal; Mehta, Ruta; Sohoni, Milind
Much work has been done on the computation of market equilibria. However due to strategic play by buyers, it is not clear whether these are actually observed in the market. Motivated by the observation that a buyer may derive a better payoff by feigning a different utility function and thereby manipulating the Fisher market equilibrium, we formulate the Fisher market game in which buyers strategize by posing different utility functions. We show that existence of a conflict-free allocation is a necessary condition for the Nash equilibria (NE) and also sufficient for the symmetric NE in this game. There are many NE with very different payoffs, and the Fisher equilibrium payoff is captured at a symmetric NE. We provide a complete polyhedral characterization of all the NE for the two-buyer market game. Surprisingly, all the NE of this game turn out to be symmetric and the corresponding payoffs constitute a piecewise linear concave curve. We also study the correlated equilibria of this game and show that third-party mediation does not help to achieve a better payoff than NE payoffs.
Vapor-liquid equilibria for the acetone-ethanol-n-propanol-tert-butanol-water system
Energy Technology Data Exchange (ETDEWEB)
Tochigi, K.; Uchida, K.; Kojima, K.
1981-12-01
This study deals with the measurement of vapor-liquid equilibria for the five-component system acetone-ethanol-n-propanol-tert-butanol-water at 760 mmHg and prediction of vapor-liquid equilibria by the ASOG group contribution method. The five-component system in this work is composed of a part of the components obtained during ethanol production by vapor-phase hydration of ethylene. 6 refs.
Calculation of Binary Adsorption Equilibria: Hydrocarbons and Carbon Dioxide on Activated Carbon
DEFF Research Database (Denmark)
Marcussen, Lis; Krøll, A.
1999-01-01
Binary adsorption equilibria are calculated by means of a mathematical model for multicomponent mixtures combined with the SPD (Spreading Pressure Dependent) model for calculation of activity coefficients in the adsorbed phase. The model has been applied successfully for the adsorption of binary ...... mixtures of hydrocarbons and carbon dioxide on activated carbons. The model parameters have been determined, and the model has proven to be suited for prediction of adsorption equilibria in the investigated systems....
Axisymmetric plasma equilibria in a Kerr metric
Elsässer, Klaus
2001-10-01
Plasma equilibria near a rotating black hole are considered within the multifluid description. An isothermal two-component plasma with electrons and positrons or ions is determined by four structure functions and the boundary conditions. These structure functions are the Bernoulli function and the toroidal canonical momentum per mass for each species. The quasi-neutrality assumption (no charge density, no toroidal current) allows to solve Maxwell's equations analytically for any axisymmetric stationary metric, and to reduce the fluid equations to one single scalar equation for the stream function \\chi of the positrons or ions, respectively. The basic smallness parameter is the ratio of the skin depth of electrons to the scale length of the metric and fluid quantities, and, in the case of an electron-ion plasma, the mass ratio m_e/m_i. The \\chi-equation can be solved by standard methods, and simple solutions for a Kerr geometry are available; they show characteristic flow patterns, depending on the structure functions and the boundary conditions.
Prediction of transport phenomena in near and far field: interaction solid phase/fluid phase
International Nuclear Information System (INIS)
Mingarro, E.
1995-01-01
The prediction of transport phenomena in near and far field is presented in the present report. The study begins with the analysis of solid phases stability: solubility of storage waste: UO 2 and solubility of radionuclides the redox and sorption-desorption conditions are the last aspects studied to predict the transport phenomena
Supercritical fluid technology for energy and environmental applications
Anikeev, Vladimir
2014-01-01
Supercritical Fluid Technology for Energy and Environmental Applications covers the fundamental principles involved in the preparation and characterization of supercritical fluids (SCFs) used in the energy production and other environmental applications. Energy production from diversified resources - including renewable materials - using clean processes can be accomplished using technologies like SCFs. This book is focused on critical issues scientists and engineers face in applying SCFs to energy production and environmental protection, the innovative solutions they have found, and the challenges they need to overcome. The book also covers the basics of sub- and supercritical fluids, like the thermodynamics of phase and chemical equilibria, mathematical modeling, and process calculations. A supercritical fluid is any substance at a temperature and pressure above its critical point where distinct liquid and gas phases do not exist. At this state the compound demonstrates unique properties, which can be "fine...
Seismoelectric couplings in a poroelastic material containing two immiscible fluid phases
Jardani, A.; Revil, A.
2015-08-01
A new approach of seismoelectric imaging has been recently proposed to detect saturation fronts in which seismic waves are focused in the subsurface to scan its heterogeneous nature and determine saturation fronts. Such type of imaging requires however a complete modelling of the seismoelectric properties of porous media saturated by two immiscible fluid phases, one being usually electrically insulating (for instance water and oil). We combine an extension of Biot dynamic theory, valid for porous media containing two immiscible Newtonian fluids, with an extension of the electrokinetic theory based on the notion of effective volumetric charge densities dragged by the flow of each fluid phase. These effective charge densities can be related directly to the permeability and saturation of each fluid phase. The coupled partial differential equations are solved with the finite element method. We also derive analytically the transfer function connecting the macroscopic electrical field to the acceleration of the fast P wave (coseismic electrical field) and we study the influence of the water content on this coupling. We observe that the amplitude of the co-seismic electrical disturbance is very sensitive to the water content with an increase in amplitude with water saturation. We also investigate the seismoelectric conversions (interface effect) occurring at the water table. We show that the conversion response at the water table can be identifiable only when the saturation contrasts between the vadose and saturated zones are sharp enough. A relatively dry vadose zone represents the best condition to identify the water table through seismoelectric measurements. Indeed, in this case, the coseismic electrical disturbances are vanishingly small compared to the seismoelectric interface response.
Zhang, Zhou; von der Handt, Anette; Hirschmann, Marc M.
2018-03-01
The behavior of nickel in the Earth's mantle is controlled by sulfide melt-olivine reaction. Prior to this study, experiments were carried out at low pressures with narrow range of Ni/Fe in sulfide melt. As the mantle becomes more reduced with depth, experiments at comparable conditions provide an assessment of the effect of pressure at low-oxygen fugacity conditions. In this study, we constrain the Fe-Ni composition of molten sulfide in the Earth's upper mantle via sulfide melt-olivine reaction experiments at 2 GPa, 1200 and 1400 °C, with sulfide melt X_{{{Ni}}}^{{{Sulfide}}}={{Ni}}/{{Ni+{Fe}}} (atomic ratio) ranging from 0 to 0.94. To verify the approach to equilibrium and to explore the effect of {f_{{{O}2}}} on Fe-Ni exchange between phases, four different suites of experiments were conducted, varying in their experimental geometry and initial composition. Effects of Ni secondary fluorescence on olivine analyses were corrected using the PENELOPE algorithm (Baró et al., Nucl Instrum Methods Phys Res B 100:31-46, 1995), "zero time" experiments, and measurements before and after dissolution of surrounding sulfides. Oxygen fugacities in the experiments, estimated from the measured O contents of sulfide melts and from the compositions of coexisting olivines, were 3.0 ± 1.0 log units more reduced than the fayalite-magnetite-quartz (FMQ) buffer (suite 1, 2 and 3), and FMQ - 1 or more oxidized (suite 4). For the reduced (suites 1-3) experiments, Fe-Ni distribution coefficients K_{{D}}{}={(X_{{{Ni}}}^{{{sulfide}}}/X_{{{Fe}}}^{{{sulfide}}})}/{(X_{{{Ni}}^{{{olivine}}}/X_{{{Fe}}}^{{{olivine}}})}} are small, averaging 10.0 ± 5.7, with little variation as a function of total Ni content. More oxidized experiments (suite 4) give larger values of K D (21.1-25.2). Compared to previous determinations at 100 kPa, values of K D from this study are chiefly lower, in large part owing to the more reduced conditions of the experiments. The observed difference does not seem
1990-01-01
The separation of fluid phases in microgravity environments is of importance to environmental control and life support systems (ECLSS) and materials processing in space. A successful fluid phase separation experiment will demonstrate a proof of concept for the separation technique and add to the knowledge base of material behavior. The phase separation experiment will contain a premixed fluid that will be exposed to a microgravity environment. After the phase separation of the compound has occurred, small samples of each of the species will be taken for analysis on Earth. By correlating the time of separation and the temperature history of the fluid, it will be possible to characterize the process. The phase separation experiment is totally self-contained, with three levels of containment on all fluids, and provides all necessary electrical power and control. The controller regulates the temperature of the fluid and controls data logging and sampling. An astronaut-activated switch will initiate the experiment and an unmaskable interrupt is provided for shutdown. The experiment has been integrated into space available on a manifested Get Away Special (GAS) experiment, CONCAP 2, part of the Consortium for Materials Complex Autonomous Payload (CAP) Program, scheduled for STS 42 in April 1991. Presented here are the design and the production of a fluid phase separation experiment for rapid implementation at low cost.
Modeling mechanical properties of a shear thickening fluid damper based on phase transition theory
Wei, Minghai; Lin, Kun; Guo, Qian
2018-03-01
Shear thickening fluids (STFs) are highly concentrated colloidal suspensions consisting of monodisperse nano-particles suspended in a carrying fluid, and have the capacity to display both flowable and rigid behaviors, when subjected to sudden stimuli. In that process, the external energy that acts on an STF can be dissipated quickly. The aim of this study is to present a dynamic model of a damper filled with STF that can be directly used in control engineering fields. To this end, shear stress during phase transition of the STF material is chosen as an internal variable. A non-convex function with bifurcation behavior is used to describe the phase transitioning of STF by determining the relationship between the behavioral characteristics of the microscopic phase and macroscopic damping force. This model is able to predict force-velocity and force-displacement relationships as functions of the loading frequency. Efficacy of the model is demonstrated via comparison with experimental results from previous studies. In addition, the results confirm the hypothesis regarding the occurrence of STF phase transitioning when subject to shear stress.
Anomalous interfacial tension temperature dependence of condensed phase drops in magnetic fluids
Ivanov, Aleksey S.
2018-05-01
Interfacial tension temperature dependence σ(T) of the condensed phase (drop-like aggregates) in magnetic fluids undergoing field induced phase transition of the "gas-liquid" type was studied experimentally. Numerical analysis of the experimental data has revealed the anomalous (if compared to ordinary one-component fluids) behavior of the σ(T) function for all tested magnetic colloid samples: the condensed phase drops at high T ≈ 75 C exhibit higher σ(T) than the drops condensed at low T ≈ 20 C. The σ(T) behavior is explained by the polydispersity of magnetic colloids: at high T, only the largest colloidal particles are able to take part in the field induced condensation; thus, the increase of T causes the growth of the average particle diameters inside the drop-like aggregates, what in its turn results in the growth of σ(T). The result is confirmed by qualitative theoretical estimations and qualitative experimental observation of the condensed phase "evaporation" process after the applied magnetic field is removed: the drops that are formed due to capillary instability of the drop-like aggregates retract by one order of magnitude faster at high T, and the evaporation of the drops slows down at high T.
Magnetoacoustic heating and FCT-equilibria in the belt pinch
International Nuclear Information System (INIS)
Erckmann, V.
1983-02-01
In the HECTOR belt pinch of high β plasma is produced by magnetic compression in a Tokamak geometry. After compresseion the initial β value can be varied between 0.2 and 0.8. During 5 μs the plasma is further heated by a fast magnetoacoustic wave with a frequency near the first harmonic of the ion cyclotronfrequency. For the first time the β-value of a pinch plasma could be increased further from 0.34 after compression to 0.46 at the end of the rf-heating cycle. By proper selection of the final β-value the region for resonance absorption of the heating wave can be shifted. Strong heating (200 MW) has been observed in the cases, where the resonance region has been located in the center of the plasma. In deuterium discharges an increase in ion temperature is observed during the heating process, whereas the electrons are energetically decoupled, showing no temperature increase. Strong plasma losses are found in the 200 MW range after the rf-heating process. The dominant mechanisms are charge exchange collisions with neutral gas atoms. During rf-heating and the subsequent cooling phase the magnetic flux is frozen due to the high conductivity of the plasma. The observed equilibria could be identified as flux conserving Tokamak (FCT) equilibria. Based on a two-dimensional code the time-evolution of the equilibria has been calculated. The q-profiles are time-independent, with increasing β the magnetic axis of the plasma is shifted towards the outer boundary of the torus, and finally the linear relation between β and βsub(pol), which is characteristic for low-β-equilibria, is no longer valid. Thus for the first time the existence of FCT-equilibria at high β has been demonstrated experimentally together with a qualitative agreement with FCT-theory. (orig./AH) [de
Jiang, Lanlan; Wu, Bohao; Li, Xingbo; Wang, Sijia; Wang, Dayong; Zhou, Xinhuan; Zhang, Yi
2018-04-01
To study on microscale distribution of CO2 and brine during two-phase flow is crucial for understanding the trapping mechanisms of CO2 storage. In this study, CO2-brine flow experiments in porous media were conducted using X-ray computed tomography. The porous media were packed with glass beads. The pore structure (porosity/tortuosity) and flow properties at different flow rates and flow fractions were investigated. The results showed that porosity of the packed beads differed at different position as a result of heterogeneity. The CO2 saturation is higher at low injection flow rates and high CO2 fractions. CO2 distribution at the pore scale was also visualized. ∅ Porosity of porous media CT brine_ sat grey value of sample saturated with brine CT dry grey value of sample saturated with air CT brine grey value of pure brine CT air grey value of pure air CT flow grey values of sample with two fluids occupying the pore space {CT}_{CO_2_ sat} grey value of sample saturated with CO2 {f}_{CO_2}({S}_{CO_2}) CO2 fraction {q}_{CO_2} the volume flow rate for CO2 q brine the volume flow rate for brine L Thickness of the porous media, mm L e a bundle of capillaries of equal length, mm τ Tortuosity, calculated from L e / L.
Kucerova, Gabriela; Kalikova, Kveta; Tesarova, Eva
2017-06-01
The enantioselective potential of two polysaccharide-based chiral stationary phases for analysis of chiral structurally diverse biologically active compounds was evaluated in supercritical fluid chromatography using a set of 52 analytes. The chiral selectors immobilized on 2.5 μm silica particles were tris-(3,5-dimethylphenylcarmabate) derivatives of cellulose or amylose. The influence of the polysaccharide backbone, different organic modifiers, and different mobile phase additives on retention and enantioseparation was monitored. Conditions for fast baseline enantioseparation were found for the majority of the compounds. The success rate of baseline and partial enantioseparation with cellulose-based chiral stationary phase was 51.9% and 15.4%, respectively. Using amylose-based chiral stationary phase we obtained 76.9% of baseline enantioseparations and 9.6% of partial enantioseparations of the tested compounds. The best results on cellulose-based chiral stationary phase were achieved particularly with propane-2-ol and a mixture of isopropylamine and trifluoroacetic acid as organic modifier and additive to CO 2 , respectively. Methanol and basic additive isopropylamine were preferred on amylose-based chiral stationary phase. The complementary enantioselectivity of the cellulose- and amylose-based chiral stationary phases allows separation of the majority of the tested structurally different compounds. Separation systems were found to be directly applicable for analyses of biologically active compounds of interest. © 2017 Wiley Periodicals, Inc.
A note on relative equilibria in a rotating shallow water layer
Ait Abderrahmane, Hamid
2013-05-08
Relative equilibria of two and three satellite vortices in a rotating shallow water layer have been recorded via particle image velocimetry (PIV) and their autorotation speed was estimated. This study shows that these equilibria retain the fundamental characteristics of Kelvin\\'s equilibria, and could be adequately described by the classical idealized point vortex theory. The same conclusion can also be inferred using the experimental dataset of Bergmann etÂ al.Â (J.Â FluidÂ Mech., vol. 679, 2011, pp. 415-431; J. Fluid Mech., vol. 691, 2012, pp. 605-606) if the assigned field\\'s contribution to pattern rotation is included. © 2013 Cambridge University Press.
On tokamak equilibria with a zero current or negative current central region
International Nuclear Information System (INIS)
Chu, M.S.; Parks, P.B.
2002-01-01
Several tokamak experiments have reported the development of a central region with vanishing currents (the current hole). The straightforward application of results from the work of Greene, Johnson and Weimer [Phys. Fluids 14, 671 (1971)] on a tokamak equilibrium to these plasmas leads to the apparent singularities in several physical quantities including the Shafranov shift and casts doubts on the existence of this type of equilibria. In this paper, the above quoted equilibrium theory is re-examined and extended to include equilibria with a current hole. It is shown that singularities can be circumvented and that equilibria with a central current hole do satisfy the magnetohydrodynamic equilibrium condition with regular behavior for all the physical quantities and do not lead to infinitely large Shafranov shifts. Isolated equilibria with negative current in the central region could exist. But equilibria with negative currents in general do not have neighboring equilibria and thus cannot have experimental realization, i.e., no negative currents can be driven in the central region
Phase-space analysis of the cosmological 3-fluid problem: families of attractors and repellers
International Nuclear Information System (INIS)
Azreg-Aïnou, Mustapha
2013-01-01
We perform a phase-space analysis of the cosmological 3-fluid problem consisting of a barotropic fluid with an equation-of-state parameter γ − 1, a pressureless dark matter fluid, plus a scalar field ϕ (representing dark energy) coupled to an exponential potential V = V 0 exp ( − κλϕ). Besides the potential–kinetic scaling solutions, which are not the unique late-time attractors whenever they exist for λ 2 ⩾ 3γ, we derive new attractors where both dark energy and dark matter coexist and the final density is shared in a way independent of the value of γ > 1. The case of a pressureless barotropic fluid (γ = 1) has a one-parameter family of attractors where all components coexist. New one-parameter families of matter–dark matter saddle points and kinetic–matter repellers exist. We investigate the stability of the ten critical points by linearization and/or Lyapunov's theorems and a variant of the theorems formulated in this paper. A solution with two transient periods of acceleration and two transient periods of deceleration is derived. (paper)
Even distribution/dividing of single-phase fluids by symmetric bifurcation of flow channels
International Nuclear Information System (INIS)
Liu, Hong; Li, Peiwen
2013-01-01
Highlights: ► We addressed an issue of distributing a flow to a number of flow channels uniformly. ► The flow distribution is accomplished through bifurcation of channels. ► Some key parameters to the flow distribution uniformity have been identified. ► Flow uniformity was studied for several versions of flow distributor designs. ► A novel fluid packaging device of high efficiency was provided. -- Abstract: This study addresses a fundamental issue of distributing a single-phase fluid flow into a number of flow channels uniformly. A basic mechanism of flow distribution is accomplished through bifurcation of channels that symmetrically split one flow channel into two downstream channels. Applying the basic mechanism, cascades flow distributions are designed to split one flow into a large number of downstream flows uniformly. Some key parameters decisive to the flow distribution uniformity in such a system have been identified, and the flow distribution uniformity of air was studied for several versions of flow distributor designs using CFD analysis. The effect of the key parameters of the flow channel designs to the flow distribution uniformity was investigated. As an example of industrial application, a novel fluid packaging device of high efficiency was proposed and some CFD analysis results for the device were provided. The optimized flow distributor makes a very good uniform flow distribution which will significantly improve the efficiency of fluid packaging. The technology is expected to be of great significance to many industrial devices that require high uniformity of flow distribution
Conditions and phase shift of fluid resonance in narrow gaps of bottom mounted caissons
Zhu, Da-tong; Wang, Xing-gang; Liu, Qing-jun
2017-12-01
This paper studies the viscid and inviscid fluid resonance in gaps of bottom mounted caissons on the basis of the plane wave hypothesis and full wave model. The theoretical analysis and the numerical results demonstrate that the condition for the appearance of fluid resonance in narrow gaps is kh=(2 n+1)π ( n=0, 1, 2, 3, …), rather than kh= nπ ( n=0, 1, 2, 3, …); the transmission peaks in viscid fluid are related to the resonance peaks in the gaps. k and h stand for the wave number and the gap length. The combination of the plane wave hypothesis or the full wave model with the local viscosity model can accurately determine the heights and the locations of the resonance peaks. The upper bound for the appearance of fluid resonance in gaps is 2 b/ Lreason for the phase shift of the resonance peaks is the inductive factors. The number of resonance peaks in the spectrum curve is dependent on the ratio of the gap length to the grating constant. The heights and the positions of the resonance peaks predicted by the present models agree well with the experimental data.
Thermal Marangoni convection in two-phase flow of dusty Casson fluid
Mahanthesh, B.; Gireesha, B. J.
2018-03-01
This paper deals with the thermal Marangoni convection effects in magneto-Casson liquid flow through suspension of dust particles. The transpiration cooling aspect is accounted. The surface tension is assumed to be fluctuating linearly with temperature. The fluid and dust particle's temperature of the interface is chosen as a quadratic function of interface arc length. The governing problem is modelled by conservation laws of mass, momentum and energy for fluid and dust particle phase. Stretching transformation technique is utilized to form ordinary differential equations from the partial differential equations. Later, the numerical solutions based on Runge-Kutta-Fehlberg method are established. The momentum and heat transport distributions are focused on the outcome of distinct governing parameters. The results of Nusselt number is also presented and discussed. It is established that the heat transfer rate is higher in the case of dusty non-Newtonian fluid than dusty Newtonian fluid. The rate of heat transfer can be enhanced by suspending dust particles in a base liquid.
Phase behavior of the modified-Yukawa fluid and its sticky limit.
Schöll-Paschinger, Elisabeth; Valadez-Pérez, Néstor E; Benavides, Ana L; Castañeda-Priego, Ramón
2013-11-14
Simple model systems with short-range attractive potentials have turned out to play a crucial role in determining theoretically the phase behavior of proteins or colloids. However, as pointed out by D. Gazzillo [J. Chem. Phys. 134, 124504 (2011)], one of these widely used model potentials, namely, the attractive hard-core Yukawa potential, shows an unphysical behavior when one approaches its sticky limit, since the second virial coefficient is diverging. However, it is exactly this second virial coefficient that is typically used to depict the experimental phase diagram for a large variety of complex fluids and that, in addition, plays an important role in the Noro-Frenkel scaling law [J. Chem. Phys. 113, 2941 (2000)], which is thus not applicable to the Yukawa fluid. To overcome this deficiency of the attractive Yukawa potential, D. Gazzillo has proposed the so-called modified hard-core attractive Yukawa fluid, which allows one to correctly obtain the second and third virial coefficients of adhesive hard-spheres starting from a system with an attractive logarithmic Yukawa-like interaction. In this work we present liquid-vapor coexistence curves for this system and investigate its behavior close to the sticky limit. Results have been obtained with the self-consistent Ornstein-Zernike approximation (SCOZA) for values of the reduced inverse screening length parameter up to 18. The accuracy of SCOZA has been assessed by comparison with Monte Carlo simulations.
Microtomography and pore-scale modeling of two-phase Fluid Distribution
Energy Technology Data Exchange (ETDEWEB)
Silin, D.; Tomutsa, L.; Benson, S.; Patzek, T.
2010-10-19
Synchrotron-based X-ray microtomography (micro CT) at the Advanced Light Source (ALS) line 8.3.2 at the Lawrence Berkeley National Laboratory produces three-dimensional micron-scale-resolution digital images of the pore space of the reservoir rock along with the spacial distribution of the fluids. Pore-scale visualization of carbon dioxide flooding experiments performed at a reservoir pressure demonstrates that the injected gas fills some pores and pore clusters, and entirely bypasses the others. Using 3D digital images of the pore space as input data, the method of maximal inscribed spheres (MIS) predicts two-phase fluid distribution in capillary equilibrium. Verification against the tomography images shows a good agreement between the computed fluid distribution in the pores and the experimental data. The model-predicted capillary pressure curves and tomography-based porosimetry distributions compared favorably with the mercury injection data. Thus, micro CT in combination with modeling based on the MIS is a viable approach to study the pore-scale mechanisms of CO{sub 2} injection into an aquifer, as well as more general multi-phase flows.
Flow regime classification in air-magnetic fluid two-phase flow.
Kuwahara, T; De Vuyst, F; Yamaguchi, H
2008-05-21
A new experimental/numerical technique of classification of flow regimes (flow patterns) in air-magnetic fluid two-phase flow is proposed in the present paper. The proposed technique utilizes the electromagnetic induction to obtain time-series signals of the electromotive force, allowing us to make a non-contact measurement. Firstly, an experiment is carried out to obtain the time-series signals in a vertical upward air-magnetic fluid two-phase flow. The signals obtained are first treated using two kinds of wavelet transforms. The data sets treated are then used as input vectors for an artificial neural network (ANN) with supervised training. In the present study, flow regimes are classified into bubbly, slug, churn and annular flows, which are generally the main flow regimes. To validate the flow regimes, a visualization experiment is also performed with a glycerin solution that has roughly the same physical properties, i.e., kinetic viscosity and surface tension, as a magnetic fluid used in the present study. The flow regimes from the visualization are used as targets in an ANN and also used in the estimation of the accuracy of the present method. As a result, ANNs using radial basis functions are shown to be the most appropriate for the present classification of flow regimes, leading to small classification errors.
Thermohydrodynamic analysis of cryogenic liquid turbulent flow fluid film bearings, phase 2
Sanandres, Luis
1994-01-01
The Phase 2 (1994) Annual Progress Report presents two major report sections describing the thermal analysis of tilting- and flexure-pad hybrid bearings, and the unsteady flow and transient response of a point mass rotor supported on fluid film bearings. A literature review on the subject of two-phase flow in fluid film bearings and part of the proposed work for 1995 are also included. The programs delivered at the end of 1994 are named hydroflext and hydrotran. Both codes are fully compatible with the hydrosealt (1993) program. The new programs retain the same calculating options of hydrosealt plus the added bearing geometries, and unsteady flow and transient forced response. Refer to the hydroflext & hydrotran User's Manual and Tutorial for basic information on the analysis and instructions to run the programs. The Examples Handbook contains the test bearing cases along with comparisons with experimental data or published analytical values. The following major tasks were completed in 1994 (Phase 2): (1) extension of the thermohydrodynamic analysis and development of computer program hydroflext to model various bearing geometries, namely, tilting-pad hydrodynamic journal bearings, flexure-pad cylindrical bearings (hydrostatic and hydrodynamic), and cylindrical pad bearings with a simple elastic matrix (ideal foil bearings); (2) improved thermal model including radial heat transfer through the bearing stator; (3) calculation of the unsteady bulk-flow field in fluid film bearings and the transient response of a point mass rotor supported on bearings; and (4) a literature review on the subject of two-phase flows and homogeneous-mixture flows in thin-film geometries.
MR phase imaging and cerebrospinal fluid flow in the head and spine
International Nuclear Information System (INIS)
Levy, L.M.; Di Chiro, G.
1990-01-01
Motion of the cerebrospinal fluid (CSF) in and around the brain spinal cord was examined in healthy subjects and in a number of patients with abnormalities of the CSF circulation. The pulsatile motion of the CSF was determined by spin echo phase (velocity) imaging, sometimes in combination with gradient echo phase contrast cine. Differences in flow patterns across CSF spaces were observed: Flow reversal in the cerebellomedullary cistern and lumbar area relative to cervical CSF, and in the posterior versus the anterior subarachnoid space in the spinal canal. Flow communication was demonstrated in known communicating cysts or cavities. Differences in flow were also noted across spinal narrowing or block, and across the walls of a variety of cystic lesions in the brain and spinal cord. MR phase imaging of CSF flow provides pathophysiological information of potential clinical importance for the assessment of diseases affecting the CSF circulation. (orig.)
Gowrishankar, Kripa; Rao, Madan
2016-02-21
We study the patterning, fluctuations and correlations of an active polar fluid consisting of contractile polar filaments on a two-dimensional substrate, using a hydrodynamic description. The steady states generically consist of arrays of inward pointing asters and show a continuous transition from a moving lamellar phase, a moving aster street, to a stationary aster lattice with no net polar order. We next study the effect of spatio-temporal athermal noise, parametrized by an active temperature TA, on the stability of the ordered phases. In contrast to its equilibrium counterpart, we find that the active crystal shows true long range order at low TA. On increasing TA, the asters dynamically remodel, concomitantly we find novel phase transitions characterized by bond-orientational and polar order upon "heating".
Nagai, Kanji; Shibata, Tohru; Shinkura, Satoshi; Ohnishi, Atsushi
2018-05-11
Poly(butylene terephthalate) based novel stationary phase (SP), composed of planar aromatic phenyl group together with ester group monomer units, was designed for supercritical fluid chromatography (SFC) use. As expected from its structure, this phase shows planarity recognition of isomeric aromatics and closely similar compounds. Interestingly, for most analytes, the retention behavior of this SP is significantly distinct from that of the 2-ethylpyridine based SPs which is among the most well-known SFC dedicated phases. Although the poly(butylene terephthalate) is coated on silica gel, the performance of the column did not change by using extended range modifiers such as THF, dichloromethane or ethyl acetate and column robustness was confirmed by cycle durability testing. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.
Two-Phase Fluid Simulation Using a Diffuse Interface Model with Peng--Robinson Equation of State
Qiao, Zhonghua; Sun, Shuyu
2014-01-01
In this paper, two-phase fluid systems are simulated using a diffusive interface model with the Peng-Robinson equation of state (EOS), a widely used realistic EOS for hydrocarbon fluid in the petroleum industry. We first utilize the gradient theory
National Aeronautics and Space Administration — The overall objective of this proposal (Phases I and II) is to develop a robust and accurate solver for fluid-structure interaction computations capable of...
Comparison of twin-fluid atomizers using a phase Doppler analyser
Energy Technology Data Exchange (ETDEWEB)
Zaremba, Matouš, E-mail: y116215@stud.fme.vutbr.cz, E-mail: y145527@stud.fme.vutbr.cz, E-mail: jedelsky@fme.vutbr.cz, E-mail: jicha@fme.vutbr.cz; Malý, Milan, E-mail: y116215@stud.fme.vutbr.cz, E-mail: y145527@stud.fme.vutbr.cz, E-mail: jedelsky@fme.vutbr.cz, E-mail: jicha@fme.vutbr.cz; Jedelský, Jan, E-mail: y116215@stud.fme.vutbr.cz, E-mail: y145527@stud.fme.vutbr.cz, E-mail: jedelsky@fme.vutbr.cz, E-mail: jicha@fme.vutbr.cz; Jícha, Miroslav, E-mail: y116215@stud.fme.vutbr.cz, E-mail: y145527@stud.fme.vutbr.cz, E-mail: jedelsky@fme.vutbr.cz, E-mail: jicha@fme.vutbr.cz [Brno University of technology, Technická 2896/2, 616 69 Brno (Czech Republic)
2014-08-06
The quality of atomization is crucial in combustion processes, especially in cases of highly viscous fuels. Twin-fluid atomizers have been developed for atomizing heavy and waste fuels and they have undergone significant development in the last decades. Nevertheless, in order to design an atomizer for a given industrial application, a comparison of different atomizers at similar operating conditions is required. This paper focuses on the description and comparison of two internally mixed twin-fluid atomizers at the same operating regime. The Y-jet and the Inverse-effervescent atomizers were examined. The phase-Doppler analyzer was used to measure the velocity and size of droplets in a radial profile in the spray. Data were sorted out into classes with respect to the droplet size and the motion analysis was done for both atomizers.
Study of single- and two-phase fluid transfer between subchannels at Kumamoto University
International Nuclear Information System (INIS)
Sadatomi, Michio
2004-01-01
Firstly, the definitions of turbulent mixing, void drift and diversion cross-flow, which are three components of fluid transfer between subchannels, are given together with the relations of each component with equilibrium or non-equilibrium two-phase subchannel flows. Secondly, measuring techniques of the three components are briefly presented in turn together with typical measurement results. In turbulent mixing measurement, a tracer injection method has been adopted at Kumamoto University, while an isokinetic discharge method for both void drift an diversion cross-flow measurements. In the experiment of hydraulically non-equilibrium flow with both void drift and/or diversion cross-flow, experimental data on flow redistribution process have been obtained. The data include the axial variations of gas and liquid flow rates and void fraction in each subchannel and pressure difference between the subchannels. After analyzing these variations, some correlations on the void drift and the diversion cross-flow are obtained. Finally, a subchannel analysis code used at Kumamoto University is presented together with the results of its validation test against the experimental data on flow redistribution process mentioned above. The code is based on a two-phase two-fluid model, and is applicable to adiabatic two-phase flows under steady state condition. Basic equations in the code are the conservation equations of mass, axial momentum and lateral momentum, while the constitutive equations include the correlations of void diffusion coefficient, both interfacial and wall friction coefficients for the cross-flow, etc. (author)
Phase Equilibria Prediction for Systems Containing Lipids
DEFF Research Database (Denmark)
Ana Perederic, Olivia; Cunico, Larissa; Sarup, Bent
]. Such developments have led to new challenges regarding the design anddevelopment of better performing processes and products. Despite the advances in propertymodelling and process design techniques available via different computeraidedmethods andtools for the chemical and petrochemical industries, the oleochemical...
Phase equilibria at the Zirconium metal purification
International Nuclear Information System (INIS)
Dwiretnani-Sudjoko; Busron-Masduki; Sunardjo; Budi-Sulistyo
1996-01-01
It was investigated the research in the purification of zirconium metal, which was results from the reduction process, by adding heat in the vacuum environment. The process was done in batch in the stainless steel reactor, equiped with vacuum pump and electric heater. The investigated variable were process temperature and pressure. From this research it was obtained that equilibrium constant for MgCl 2 and Mg were expressed in the equation K M g C l 2 = 0.9011 P 1 .3779 1.06552 T and K M g = 6.0115P + 1.35256T - 6.93912
Phase Equilibria for Complex Polymer Solutions
DEFF Research Database (Denmark)
Lindvig, Thomas; Hestkjær, L. L.; Hansen, A. F.
2002-01-01
the content of organic solvents. This work presents an investigation of the three polymer models Entropic-FV (EFV). UNIFAC-FV (UFV) and GC-Flory (GCF) for their capability of predicting solvent activity coefficients in binary systems containing complex polymers. It is possible to obtain good predictions...... at finite concentrations and satisfactory predictions at infinite dilution, particularly with the EFV model. The investigation shows that EFV is the most robust and stable of the models, which indicates that it is the most well suited model for further development of methods for predicting the miscibility...
Stability of relative equilibria of three vortices
DEFF Research Database (Denmark)
Aref, Hassan
2009-01-01
Three point vortices on the unbounded plane have relative equilibria wherein the vortices either form an equilateral triangle or are collinear. While the stability analysis of the equilateral triangle configurations is straightforward, that of the collinear relative equilibria is considerably mor...
Strong Nash Equilibria and the Potential Maimizer
van Megen, F.J.C.; Facchini, G.; Borm, P.E.M.; Tijs, S.H.
1996-01-01
A class of non cooperative games characterized by a `congestion e ect' is studied, in which there exists a strong Nash equilibrium, and the set of Nash equilibria, the set of strong Nash equilibria and the set of strategy pro les maximizing the potential function coincide.The structure of the class
On heat transfer to pulsatile flow of a two-phase fluid
Directory of Open Access Journals (Sweden)
S. P. Chakraborty
2005-09-01
Full Text Available The problem of heat transfer to pulsatile flow of a two-phase fluid-particle system contained in a channel bounded by two infinitely long rigid impervious parallel walls has been studied in this paper. The solutions for the steady and the fluctuating temperature distributions are obtained. The rates of heat transfer at the walls are also calculated. The results are discussed numerically with graphical presentations. It is shown that the presence of the particles not only diminishes the steady and unsteady temperature fields but also decreases the reversal of heat flux at the hotter wall irrespective of the influences of other flow parameters.
Energy Technology Data Exchange (ETDEWEB)
Aksenova, A.E.; Chudanov, V.V.; Strizhov, V.F.; Vabishchevich, P.N. [Institute of Nuclear Safety Russian Academy Science, Moscow (Russian Federation)
1995-09-01
Unsteady natural convection of a heat-generating fluid with phase transitions in the enclosures of a square section with isothermal rigid walls is investigated numerically for a wide range of dimensionless parameters. The quasisteady state solutions of conjugate heat and mass transfer problem are compared with available experimental results. Correlation relations for heat flux distributions at the domain boundaries depending on Rayleigh and Ostrogradskii numbers are obtained. It is shown that generally heat transfer is governed both by natural circulation and crust formation phenomena. Results of this paper may be used for analysis of experiments with prototypic core materials.
Energy Technology Data Exchange (ETDEWEB)
Singh, Raman Deep, E-mail: Takhter.Ramandeep@mayo.edu; Schroeder, Andreas S.; Scheffer, Luana; Holicky, Eileen L.; Wheatley, Christine L.; Marks, David L., E-mail: Marks.david@mayo.edu; Pagano, Richard E.
2013-05-10
Highlights: •Prominin-2 expression induced protrusions that co-localized with lipid raft markers. •Prominin-2 expression decreased caveolae, caveolar endocytosis and increased pCav1. •Prominin-2 expression inhibited fluid phase endocytosis by inactivation of Cdc42. •These endocytic effects can be reversed by adding exogenous cholesterol. •Caveolin1 knockdown restored fluid phase endocytosis in Prominin2 expressing cells. -- Abstract: Background: Membrane protrusions play important roles in biological processes such as cell adhesion, wound healing, migration, and sensing of the external environment. Cell protrusions are a subtype of membrane microdomains composed of cholesterol and sphingolipids, and can be disrupted by cholesterol depletion. Prominins are pentaspan membrane proteins that bind cholesterol and localize to plasma membrane (PM) protrusions. Prominin-1 is of great interest as a marker for stem and cancer cells, while Prominin-2 (Prom2) is reportedly restricted to epithelial cells. Aim: To characterize the effects of Prom-2 expression on PM microdomain organization. Methods: Prom2-fluorescent protein was transfected in human skin fibroblasts (HSF) and Chinese hamster ovary (CHO) cells for PM raft and endocytic studies. Caveolae at PM were visualized using transmission electron microscopy. Cdc42 activation was measured and caveolin-1 knockdown was performed using siRNAs. Results: Prom2 expression in HSF and CHO cells caused extensive Prom2-positive protrusions that co-localized with lipid raft markers. Prom2 expression significantly decreased caveolae at the PM, reduced caveolar endocytosis and increased caveolin-1 phosphorylation. Prom2 expression also inhibited Cdc42-dependent fluid phase endocytosis via decreased Cdc42 activation. Effects on endocytosis were reversed by addition of cholesterol. Knockdown of caveolin-1 by siRNA restored Cdc42 dependent fluid phase endocytosis in Prom2-expressing cells. Conclusions: Prom2 protrusions primarily
A note on relative equilibria in a rotating shallow water layer
Ait Abderrahmane, Hamid; Fayed, Mohamed; Ng, Hoidick; Vatistas, Georgios H.
2013-01-01
the fundamental characteristics of Kelvin's equilibria, and could be adequately described by the classical idealized point vortex theory. The same conclusion can also be inferred using the experimental dataset of Bergmann etÂ al.Â (J.Â FluidÂ Mech., vol. 679, 2011
A Well-Posed Two Phase Flow Model and its Numerical Solutions for Reactor Thermal-Fluids Analysis
Energy Technology Data Exchange (ETDEWEB)
Kadioglu, Samet Y. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Berry, Ray [Idaho National Lab. (INL), Idaho Falls, ID (United States); Martineau, Richard [Idaho National Lab. (INL), Idaho Falls, ID (United States)
2016-08-01
A 7-equation two-phase flow model and its numerical implementation is presented for reactor thermal-fluids applications. The equation system is well-posed and treats both phases as compressible flows. The numerical discretization of the equation system is based on the finite element formalism. The numerical algorithm is implemented in the next generation RELAP-7 code (Idaho National Laboratory (INL)’s thermal-fluids code) built on top of an other INL’s product, the massively parallel multi-implicit multi-physics object oriented code environment (MOOSE). Some preliminary thermal-fluids computations are presented.
A Well-Posed Two Phase Flow Model and its Numerical Solutions for Reactor Thermal-Fluids Analysis
International Nuclear Information System (INIS)
Kadioglu, Samet Y.; Berry, Ray; Martineau, Richard
2016-01-01
A 7-equation two-phase flow model and its numerical implementation is presented for reactor thermal-fluids applications. The equation system is well-posed and treats both phases as compressible flows. The numerical discretization of the equation system is based on the finite element formalism. The numerical algorithm is implemented in the next generation RELAP-7 code (Idaho National Laboratory (INL)'s thermal-fluids code) built on top of an other INL's product, the massively parallel multi-implicit multi-physics object oriented code environment (MOOSE). Some preliminary thermal-fluids computations are presented.
Zhu, Guangpu
2018-04-17
In this paper, we consider the numerical approximation of a binary fluid-surfactant phase field model of two-phase incompressible flow. The nonlinearly coupled model consists of two Cahn-Hilliard type equations and incompressible Navier-Stokes equations. Using the Invariant Energy Quadratization (IEQ) approach, the governing system is transformed into an equivalent form, which allows the nonlinear potentials to be treated efficiently and semi-explicitly. we construct a first and a second-order time marching schemes, which are extremely efficient and easy-to-implement, for the transformed governing system. At each time step, the schemes involve solving a sequence of linear elliptic equations, and computations of phase variables, velocity and pressure are totally decoupled. We further establish a rigorous proof of unconditional energy stability for the semi-implicit schemes. Numerical results in both two and three dimensions are obtained, which demonstrate that the proposed schemes are accurate, efficient and unconditionally energy stable. Using our schemes, we investigate the effect of surfactants on droplet deformation and collision under a shear flow. The increase of surfactant concentration can enhance droplet deformation and inhibit droplet coalescence.
Zhu, Guangpu; Kou, Jisheng; Sun, Shuyu; Yao, Jun; Li, Aifen
2018-01-01
In this paper, we consider the numerical approximation of a binary fluid-surfactant phase field model of two-phase incompressible flow. The nonlinearly coupled model consists of two Cahn-Hilliard type equations and incompressible Navier-Stokes equations. Using the Invariant Energy Quadratization (IEQ) approach, the governing system is transformed into an equivalent form, which allows the nonlinear potentials to be treated efficiently and semi-explicitly. we construct a first and a second-order time marching schemes, which are extremely efficient and easy-to-implement, for the transformed governing system. At each time step, the schemes involve solving a sequence of linear elliptic equations, and computations of phase variables, velocity and pressure are totally decoupled. We further establish a rigorous proof of unconditional energy stability for the semi-implicit schemes. Numerical results in both two and three dimensions are obtained, which demonstrate that the proposed schemes are accurate, efficient and unconditionally energy stable. Using our schemes, we investigate the effect of surfactants on droplet deformation and collision under a shear flow. The increase of surfactant concentration can enhance droplet deformation and inhibit droplet coalescence.
Geometric analysis of the solutions of two-phase flows: two-fluid model
International Nuclear Information System (INIS)
Kestin, J.; Zeng, D.L.
1984-01-01
This report contains a lightly edited draft of a study of the two-fluid model in two-phase flow. The motivation for the study stems from the authors' conviction that the construction of a computer code for any model should be preceded by a geometrical analysis of the pattern of trajectories in the phase space appropriate for the model. Such a study greatly facilitates the understanding of the phenomenon of choking and anticipates the computational difficulties which arise from the existence of singularities. The report contains a derivation of the six conservation equations of the model which includes a consideration of the simplifications imposed on a one-dimensional treatment by the presence of boundary layers at the wall and between the phases. The model is restricted to one-dimensional adiabatic flows of a single substance present in two phases, but thermodynamic equilibrium between the phases is not assumed. The role of closure conditions is defined but no specific closure conditions, or explicit equations of state, are introduced
Evaluation of an amide-based stationary phase for supercritical fluid chromatography
Borges-Muñoz, Amaris C.; Colón, Luis A.
2017-01-01
A relatively new stationary phase containing a polar group embedded in a hydrophobic backbone (i.e., ACE® C18-amide) was evaluated for use in supercritical fluid chromatography. The amide-based column was compared with columns packed with bare silica, C18 silica, and a terminal-amide silica phase. The system was held at supercritical pressure and temperature with a mobile phase composition of CO2 and methanol as cosolvent. The linear solvation energy relationship model was used to evaluate the behavior of these stationary phases, relating the retention factor of selected probes to specific chromatographic interactions. A five-component test mixture, consisting of a group of drug-like molecules was separated isocratically. The results show that the C18-amide stationary phase provided a combination of interactions contributing to the retention of the probe compounds. The hydrophobic interactions are favorable; however, the electron donating ability of the embedded amide group shows a large positive interaction. Under the chromatographic conditions used, the C18-amide column was able to provide baseline resolution of all the drug-like probe compounds in a text mixture, while the other columns tested did not. PMID:27396487
Characterization of Phase Transition in Heisenberg Fluids from Density Functional Theory
International Nuclear Information System (INIS)
Li Liangsheng; Li Li; Chen Xiaosong
2009-01-01
The phase transition of Heisenberg fluid has been investigated with the density functional theory in mean-field approximation (MF). The matrix of the second derivatives of the grand canonical potential Ω with respect to the particle density fluctuations and the magnetization fluctuations has been investigated and diagonalized. The smallest eigenvalue being 0 signalizes the phase instability and the related eigenvector characterizes this phase transition. We find a Curie line where the order parameter is pure magnetization and a spinodal where the order parameter is a mixture of particle density and magnetization. Along the spinodal, the character of phase instability changes continuously from predominant condensation to predominant ferromagnetic phase transition with the decrease of total density. The spinodal meets the Curie line at the critical endpoint with the reduced density ρ* = ρσ 3 = 0.224 and the reduced temperature T* = kT/ element of = 1.87 (σ is the diameter of Heisenberg hard sphere and element of is the coupling constant).
Signaling equilibria in sensorimotor interactions.
Leibfried, Felix; Grau-Moya, Jordi; Braun, Daniel A
2015-08-01
Although complex forms of communication like human language are often assumed to have evolved out of more simple forms of sensorimotor signaling, less attention has been devoted to investigate the latter. Here, we study communicative sensorimotor behavior of humans in a two-person joint motor task where each player controls one dimension of a planar motion. We designed this joint task as a game where one player (the sender) possesses private information about a hidden target the other player (the receiver) wants to know about, and where the sender's actions are costly signals that influence the receiver's control strategy. We developed a game-theoretic model within the framework of signaling games to investigate whether subjects' behavior could be adequately described by the corresponding equilibrium solutions. The model predicts both separating and pooling equilibria, in which signaling does and does not occur respectively. We observed both kinds of equilibria in subjects and found that, in line with model predictions, the propensity of signaling decreased with increasing signaling costs and decreasing uncertainty on the part of the receiver. Our study demonstrates that signaling games, which have previously been applied to economic decision-making and animal communication, provide a framework for human signaling behavior arising during sensorimotor interactions in continuous and dynamic environments. Copyright © 2015 Elsevier B.V. All rights reserved.
International Nuclear Information System (INIS)
Gedik, Engin; Recebli, Ziyaddin; Kurt, Hueseyin; Kecebas, Ali
2012-01-01
The unsteady viscous incompressible and electrically conducting of two-phase fluid flow in circular pipes with external magnetic and electrical field is considered in this present study. Effects of both uniform transverse external magnetic and electrical fields applied perpendicular to the fluid and each other on the two-phase (solid/liquid) unsteady flow is investigated numerically. While iron powders are being used as the first phase of two-phase fluid, pure water was used as the second phase. The system of the derived governing equations, which are based on the Navier-Stokes equations including Maxwell equations, are solved numerically by using Pdex4 function on the Matlab for both phases. The originality of this study is that, in addition to magnetic field, the effect of electrical field on two-phase unsteady fluids is being examined. The magnetic field which is applied on flow decreases the velocity of both phases, whereas the electrical field applied along with magnetic field acted to increase and decrease the velocity values depending on the direction of electrical field. Electrical field alone did not display any impact on two-phase flow. On the other hand, analytical and numerical results are compared and favorable agreements have been obtained. (authors)
CFD simulation of gas and non-Newtonian fluid two-phase flow in anaerobic digesters.
Wu, Binxin
2010-07-01
This paper presents an Eulerian multiphase flow model that characterizes gas mixing in anaerobic digesters. In the model development, liquid manure is assumed to be water or a non-Newtonian fluid that is dependent on total solids (TS) concentration. To establish the appropriate models for different TS levels, twelve turbulence models are evaluated by comparing the frictional pressure drops of gas and non-Newtonian fluid two-phase flow in a horizontal pipe obtained from computational fluid dynamics (CFD) with those from a correlation analysis. The commercial CFD software, Fluent12.0, is employed to simulate the multiphase flow in the digesters. The simulation results in a small-sized digester are validated against the experimental data from literature. Comparison of two gas mixing designs in a medium-sized digester demonstrates that mixing intensity is insensitive to the TS in confined gas mixing, whereas there are significant decreases with increases of TS in unconfined gas mixing. Moreover, comparison of three mixing methods indicates that gas mixing is more efficient than mixing by pumped circulation while it is less efficient than mechanical mixing.
Axisymmetric Plasma Equilibria in General Relativity
Elsässer, Klaus
Axisymmetric plasma equilibria near a rotating black hole are considered within the multifluid description. An isothermal two-component plasma with electrons and positrons or ions is determined by four structure functions and the boundary conditions. These structure functions are the Bernoulli function and the toroidal canonical momentum per mass for each species; they remain arbitrary if no gain and loss processes are considered, in close analogy to the free flux functions in ideal magnetohydrodynamics. Several simplifying assumptions allow the reduction of the basic equations to one single scalar equation for the stream function χ of positrons or ions, respectively, playing the rôle of the Grad/Shafranov equation in magnetohydrodynamics; in particular, Maxwell's equations can be solved analytically for a quasineutral plasma when both the charge density and the toroidal electric current density are negligible (in contrast to the Tokamak situation). The basic smallness parameter is the ratio of the skin depth of electrons to the scale length of the metric and fluid quantities, and, in the case of an electron-ion plasma, the mass ratio me/mi. The χ-equation can be solved by standard methods, and simple solutions for a Kerr geometry are available; they show characteristic flow patterns, depending on the structure functions and the boundary conditions.
Workshop on Two-Phase Fluid Behavior in a Space Environment
Swanson, Theodore D. (Editor); Juhasz, AL (Editor); Long, W. Russ (Editor); Ottenstein, Laura (Editor)
1989-01-01
The Workshop was successful in achieving its main objective of identifying a large number of technical issues relating to the design of two-phase systems for space applications. The principal concern expressed was the need for verified analytical tools that will allow an engineer to confidently design a system to a known degree of accuracy. New and improved materials, for such applications as thermal storage and as heat transfer fluids, were also identified as major needs. In addition to these research efforts, a number of specific hardware needs were identified which will require development. These include heat pumps, low weight radiators, advanced heat pipes, stability enhancement devices, high heat flux evaporators, and liquid/vapor separators. Also identified was the need for a centralized source of reliable, up-to-date information on two-phase flow in a space environment.
Xin, Huaxia; Dai, Zhuoshun; Cai, Jianfeng; Ke, Yanxiong; Shi, Hui; Fu, Qing; Jin, Yu; Liang, Xinmiao
2017-08-04
Supercritical fluid chromatography (SFC) with chiral stationary phases (CSPs) is an advanced solution for the separation of achiral compounds in Piper kadsura. Analogues and stereoisomers are abundant in natural products, but there are obstacles in separation using conventional method. In this paper, four lignan diastereoisomers, (-)-Galbelgin, (-)-Ganschisandrin, Galgravin and (-)-Veraguensin, from Piper kadsura were separated and purified by chiral SFC. Purification strategy was designed, considering of the compound enrichment, sample purity and purification throughput. Two-step achiral purification method on chiral preparative columns with stacked automated injections was developed. Unconventional mobile phase modifier dichloromethane (DCM) was applied to improve the sample solubility. Four diastereoisomers was prepared at the respective weight of 103.1mg, 10.0mg, 152.3mg and 178.6mg from 710mg extract with the purity of greater than 98%. Copyright © 2017 Elsevier B.V. All rights reserved.
A Multi-Phase Based Fluid-Structure-Microfluidic interaction sensor for Aerodynamic Shear Stress
Hughes, Christopher; Dutta, Diganta; Bashirzadeh, Yashar; Ahmed, Kareem; Qian, Shizhi
2014-11-01
A novel innovative microfluidic shear stress sensor is developed for measuring shear stress through multi-phase fluid-structure-microfluidic interaction. The device is composed of a microfluidic cavity filled with an electrolyte liquid. Inside the cavity, two electrodes make electrochemical velocimetry measurements of the induced convection. The cavity is sealed with a flexible superhydrophobic membrane. The membrane will dynamically stretch and flex as a result of direct shear cross-flow interaction with the seal structure, forming instability wave modes and inducing fluid motion within the microfluidic cavity. The shear stress on the membrane is measured by sensing the induced convection generated by membrane deflections. The advantages of the sensor over current MEMS based shear stress sensor technology are: a simplified design with no moving parts, optimum relationship between size and sensitivity, no gaps such as those created by micromachining sensors in MEMS processes. We present the findings of a feasibility study of the proposed sensor including wind-tunnel tests, microPIV measurements, electrochemical velocimetry, and simulation data results. The study investigates the sensor in the supersonic and subsonic flow regimes. Supported by a NASA SBIR phase 1 contract.
Preparation of nanoencapsulated phase change material as latent functionally thermal fluid
Energy Technology Data Exchange (ETDEWEB)
Fang Yutang; Kuang Shengyan; Gao Xuenong; Zhang Zhengguo, E-mail: ppytfang@scut.edu.c [Key Laboratory of Enhanced Heat Transfer and Energy Conservation, Ministry of Education, South China University of Technology, Guangzhou 510640 (China)
2009-02-07
Nanoencapsulated phase change material with polystyrene as the shell and n-octadecane as the core was synthesized using the ultrasonic technique and miniemulsion in situ polymerization. The influences of polymerization factors, including initiator, chain transfer agent (CTA), surfactant, n-octadecane/styrene ratio and hydrophilic co-monomer, on the morphology and thermophysical properties of nanocapsules were systematically investigated. The optimized polymerization conditions were 0.5 wt% of initiator (2,2-azobisisobutyronitrile), 0.4 wt% of CTA (n-dodecyl mercaptan), 2% of composite surfactants which were composed of sodium dodecyl sulfate and poly-(ethylene glycol) monooctylphenyl ether by 1 : 1 in weight ratio, 1 wt% of hydrophilic co-monomer butyl acrylate or 3 wt% of methyl methacrylate and 1 : 1 n-octadecane to styrene in weight ratio. Under these conditions, the z-average size of prepared nanocapsules was 124 nm and the phase change enthalpy was 124.4 kJ kg{sup -1}. The heat capacity was as high as 11.61 kJ kg{sup -1} K{sup -1} at the latex concentration of 20.6 wt%. Thermal stability and viscosity testing show that this fluid had excellent resistance to thermal shock (after 100 cycles, no liquid Oct was observed during heating) and low viscosity (only 3.61 mPa s at the latex concentration of 20.6 wt%), which seems to be promising as a latent functionally thermal fluid.
An equivalent ground thermal test method for single-phase fluid loop space radiator
Directory of Open Access Journals (Sweden)
Xianwen Ning
2015-02-01
Full Text Available Thermal vacuum test is widely used for the ground validation of spacecraft thermal control system. However, the conduction and convection can be simulated in normal ground pressure environment completely. By the employment of pumped fluid loops’ thermal control technology on spacecraft, conduction and convection become the main heat transfer behavior between radiator and inside cabin. As long as the heat transfer behavior between radiator and outer space can be equivalently simulated in normal pressure, the thermal vacuum test can be substituted by the normal ground pressure thermal test. In this paper, an equivalent normal pressure thermal test method for the spacecraft single-phase fluid loop radiator is proposed. The heat radiation between radiator and outer space has been equivalently simulated by combination of a group of refrigerators and thermal electrical cooler (TEC array. By adjusting the heat rejection of each device, the relationship between heat flux and surface temperature of the radiator can be maintained. To verify this method, a validating system has been built up and the experiments have been carried out. The results indicate that the proposed equivalent ground thermal test method can simulate the heat rejection performance of radiator correctly and the temperature error between in-orbit theory value and experiment result of the radiator is less than 0.5 °C, except for the equipment startup period. This provides a potential method for the thermal test of space systems especially for extra-large spacecraft which employs single-phase fluid loop radiator as thermal control approach.
Brignole, Esteban Alberto
2013-01-01
Traditionally, the teaching of phase equilibria emphasizes the relationships between the thermodynamic variables of each phase in equilibrium rather than its engineering applications. This book changes the focus from the use of thermodynamics relationships to compute phase equilibria to the design and control of the phase conditions that a process needs. Phase Equilibrium Engineering presents a systematic study and application of phase equilibrium tools to the development of chemical processes. The thermodynamic modeling of mixtures for process development, synthesis, simulation, design and
Existence of three-dimensional ideal-magnetohydrodynamic equilibria with current sheets
Energy Technology Data Exchange (ETDEWEB)
Loizu, J. [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany); Princeton Plasma Physics Laboratory, PO Box 451, Princeton, New Jersey 08543 (United States); Hudson, S. R.; Bhattacharjee, A.; Lazerson, S. [Princeton Plasma Physics Laboratory, PO Box 451, Princeton, New Jersey 08543 (United States); Helander, P. [Max-Planck-Institut für Plasmaphysik, D-17491 Greifswald (Germany)
2015-09-15
We consider the linear and nonlinear ideal plasma response to a boundary perturbation in a screw pinch. We demonstrate that three-dimensional, ideal-MHD equilibria with continuously nested flux-surfaces and with discontinuous rotational-transform across the resonant rational-surfaces are well defined and can be computed both perturbatively and using fully nonlinear equilibrium calculations. This rescues the possibility of constructing MHD equilibria with current sheets and continuous, smooth pressure profiles. The results predict that, even if the plasma acts as a perfectly conducting fluid, a resonant magnetic perturbation can penetrate all the way into the center of a tokamak without being shielded at the resonant surface.
West, Caroline; Konjaria, Mari-Luiza; Shashviashvili, Natia; Lemasson, Elise; Bonnet, Pascal; Kakava, Rusudan; Volonterio, Alessandro; Chankvetadze, Bezhan
2017-05-26
Asymmetric sulfoxides is a particular case of chirality that may be found in natural as well as synthetic products. Twenty-four original molecules containing a sulfur atom as a centre of chirality were analyzed in supercritical fluid chromatography on seven polysaccharide-based chiral stationary phases (CSP) with carbon dioxide - methanol mobile phases. While all the tested CSP provided enantioseparation for a large part of the racemates, chlorinated cellulosic phases proved to be both highly retentive and highly enantioselective towards these species. Favourable structural features were determined by careful comparison of the enantioseparation of the probe molecules. Molecular modelling studies indicate that U-shaped (folded) conformations were most favorable to achieve high enantioresolution on these CSP, while linear (extended) conformations were not so clearly discriminated. For a subset of these species adopting different conformations, a broad range of mobile phase compositions, ranging from 20 to 100% methanol in carbon dioxide, were investigated. While retention decreased continuously in this range, enantioseparation varied in a non-monotonous fashion. Abrupt changes in the tendency curves of retention and selectivity were observed when methanol proportion reaches about 60%, suggesting that a change in the conformation of the analytes and/or chiral selector is occurring at this point. Copyright © 2017 Elsevier B.V. All rights reserved.
Learning to Play Efficient Coarse Correlated Equilibria
Borowski, Holly P.
2018-03-10
The majority of the distributed learning literature focuses on convergence to Nash equilibria. Coarse correlated equilibria, on the other hand, can often characterize more efficient collective behavior than even the best Nash equilibrium. However, there are no existing distributed learning algorithms that converge to specific coarse correlated equilibria. In this paper, we provide one such algorithm, which guarantees that the agents’ collective joint strategy will constitute an efficient coarse correlated equilibrium with high probability. The key to attaining efficient correlated behavior through distributed learning involves incorporating a common random signal into the learning environment.
Computing Nash equilibria through computational intelligence methods
Pavlidis, N. G.; Parsopoulos, K. E.; Vrahatis, M. N.
2005-03-01
Nash equilibrium constitutes a central solution concept in game theory. The task of detecting the Nash equilibria of a finite strategic game remains a challenging problem up-to-date. This paper investigates the effectiveness of three computational intelligence techniques, namely, covariance matrix adaptation evolution strategies, particle swarm optimization, as well as, differential evolution, to compute Nash equilibria of finite strategic games, as global minima of a real-valued, nonnegative function. An issue of particular interest is to detect more than one Nash equilibria of a game. The performance of the considered computational intelligence methods on this problem is investigated using multistart and deflection.
Multiple Equilibria in Noisy Rational Expectations Economies
DEFF Research Database (Denmark)
Pálvölgyi, Dömötör; Venter, Gyuri
with a continuous price function. However, we also construct a tractable class of equilibria with discontinuous prices that have very different economic implications, including (i) jumps and crashes, (ii) significant revisions in uninformed belief due to small changes in the market price, (iii) “upward......-sloping” demand curves, (iv) higher prices leading to future returns that are higher in expectation (price drift) and (v) more positively skewed. Discontinuous equilibria can be arbitrarily close to being fully-revealing. Finally, discontinuous equilibria with the same construction also exist in Hellwig (1980)....
Directory of Open Access Journals (Sweden)
Boga Mwanamvua
2010-10-01
Full Text Available Abstract Background Children with severe malnutrition who develop shock have a high mortality. Contrary to contemporaneous paediatric practice, current guidelines recommend use of low dose hypotonic fluid resuscitation (half-strength Darrows/5% dextrose (HSD/5D. We evaluated the safety and efficacy of this guideline compared to resuscitation with a standard isotonic solution. Methods A Phase II randomised controlled, safety and efficacy trial in Kenyan children aged over 6 months with severe malnutrition and shock including children with severe dehydration/shock and presumptive septic shock (non-diarrhoeal shock. Eligible children were randomised to HSD/5D or Ringer's Lactate (RL. A maximum of two boluses of 15 ml/kg of HSD/5D were given over two hours (as recommended by guidelines while those randomised to RL received 10 ml/kg aliquots half hourly (maximum 40 ml/kg. Primary endpoint was resolution of shock at 8 and 24 hours. Secondary outcomes included resolution of acidosis, adverse events and mortality. Results 61 children were enrolled: 41 had shock and severe dehydrating diarrhoea, 20 had presumptive septic shock; 69% had decompensated shock. By 8 hours response to volume resuscitation was poor with shock persisting in most children:-HSD/5D 15/22 (68% and RL14/25 (52%, p = 0.39. Oliguria was more prevalent at 8 hours in the HSD/5D group, 9/22 (41%, compared to RL-3/25 (12%, p = 0.02. Mortality was high, HSD/5D-15/26(58% and RL 13/29(45%; p = 0.42. Most deaths occurred within 48 hours of admission. Neither pulmonary oedema nor cardiogenic failure was detected. Conclusions Outcome was universally poor characterised by persistence of shock, oliguria and high case fatality. Isotonic fluid was associated with modest improvement in shock and survival when compared to HSD/5D but inconclusive due to the limitations of design and effectiveness of either resuscitation strategy. Although isotonic fluid resuscitation did not result in cardiogenic heart
Inefficient equilibria in transition economy
Directory of Open Access Journals (Sweden)
Sergei Guriev
1999-01-01
Full Text Available The paper studies a general equilibrium in an economy where all market participants face a bid-ask spread. The spread may be caused by indirect business taxes, middlemen rent-seeking, delays in payments or liquidity constraints or price uncertainty. Wherever it comes from the spread causes inefficiency of the market equilibrium. We discuss some institutions that can decrease the inefficiency. One is second currency (barter exchange in the inter-firm transactions. It is shown that the general equilibrium in an economy with second currency is effective though is still different from Arrow–Debreu equilibrium. Another solution can be introduction of mutual trade credit. In the economy with trade credit there are multiple equilibria that are more efficient than original bid-ask spread but still not as efficient as Arrow–Debreu one, too. The implications for firms' integration and applicability to Russian economy are discussed.
(Liquid + liquid) equilibria of perfluorocarbons with fluorinated ionic liquids
International Nuclear Information System (INIS)
Martinho, S.; Araújo, J.M.M.; Rebelo, L.P.N.; Pereiro, A.B.; Marrucho, I.M.
2013-01-01
Highlights: • (Liquid + liquid) equilibria perfluorocarbons and fluorinated ionic liquids. • Non-Random Two Liquid model was successfully applied. • Thermodynamic functions that describe the solvation process were calculated. -- Abstract: In order to evaluate the feasibility of partially replace perfluorocarbons (PFCs) with fluorinated ionic liquids (FILs) in PFCs-in-water emulsions, usually used for biomedical purposes, herein the (liquid + liquid) phase equilibria of FILs containing fluorinated chains longer than four carbons with PFCs were carried out in a wide range of temperatures. With this goal in mind, two PFCs (perfluorooctane and perfluorodecalin) were selected and the (liquid + liquid) equilibria of the binary mixtures of these PFCs and FILs were studied at atmospheric pressure in a temperature range from T (293.15 to 343.15) K. For these studies, FILs containing ammonium, pyridinium and imidazolium cations and different anions with fluorocarbon alkyl chains between 4 and 8 were included. Additionally, Non-Random Two Liquid (NRTL) thermodynamic model was successfully applied to correlate the behaviour of the PFCs + FILs binary mixtures. Moreover, thermodynamic functions that describe the solvation process were calculated from the experimental data
West, Caroline; Melin, Jodie; Ansouri, Hassna; Mengue Metogo, Maïly
2017-04-07
The mobile phases employed in current supercritical fluid chromatography (SFC) are usually composed of a mixture of pressurized carbon dioxide and a co-solvent. The co-solvent is most often an alcohol and may contain a third component in small proportions, called an additive (acid, base or salt). The polarity of such mobile phase compositions is here re-evaluated with a solvatochromic dye (Nile Red), particularly to assess the contribution of additives. It appears that additives, when employed in usual concentration range (0.1% or 20mM) do not modify the polarity in the immediate environment of the probe. In addition, the combination of carbon dioxide and an alcohol is known to form alkoxylcarbonic acid, supposedly conferring some acidic character to SFC mobile phases. Direct measurements of the apparent pH are impossible, but colour indicators of pH can be used to define the range of apparent pH provided by carbon dioxide-alcohol mixtures, with or without additives. Five colour indicators (Thymol Blue, Bromocresol Green, Methyl Red, Bromocresol Purple, and Bromothymol Blue) were selected to provide a wide range of aqueous pK a values (from 1.7 to 8.9). UV-vis absorption spectra measured in liquid phases of controlled pH were compared to those measured with a diode-array detector employed in SFC, with the help of chemometric methods. Based on these observations, it is concluded that the apparent pH range in carbon dioxide-methanol mobile phases is close to 5. Increasing the proportion of methanol (in the course of a gradient elution for instance) causes decreasing apparent pH. Strong acids can further decrease the apparent pH below 1.7; strong bases have little influence on the apparent pH, probably because, in this range of concentrations, they are titrated by alkoxylcarbonic acid or form ion pairs with alkoxycarbonate. However, bases and salts could stabilize the acidity in the course of gradient runs. Copyright © 2017 Elsevier B.V. All rights reserved.
Liquid-vapour phase behaviour of a polydisperse Lennard-Jones fluid
International Nuclear Information System (INIS)
Wilding, Nigel B; Sollich, Peter
2005-01-01
We describe a simulation study of the liquid-vapour phase behaviour of a model polydisperse fluid. Particle interactions are given by a Lennard-Jones potential in which polydispersity features both in the particle sizes and the amplitude of their interactions. We address the computational problem of accurately locating the cloud curve for such a system using Monte Carlo simulations within the grand canonical ensemble. The strongly nonlinear variation of the fractional volumes of the phases across the coexistence region precludes naive extrapolation to determine the cloud point density. Instead we propose an improved estimator for the cloud point location and use scaling arguments to predicts its finite-size behaviour. Excellent agreement is found with the simulation results. Application of the method reveals that the measured cloud curve is highly sensitive to the presence of large particles, even when they are extremely rare. This finding is expected to have implications for the reproducibility of experimentally measured phase diagrams in colloids and polymers
Liquid and vapor phase fluids visualization using an exciplex chemical sensor
International Nuclear Information System (INIS)
Kim, Jong Uk; Kim, Guang Hoon; Kim, Chang Bum; Suk, Hyyong
2001-01-01
Two dimensional slices of the cross-sectional distributions of fuel images in the combustion chamber were visualized quantitatively using a laser-induced exciplex (excited state complex) fluorescence technique. A new exciplex visualization system consisting of 5%DMA (N, N-dimethylaniline) · 5%1, 4,6-TMN (trimethylnaphthalene) in 90% isooctane (2,2,4-trimethylpentane) fuel was employed. In this method, the vapor phase was tagged by the monomer fluorescence while the liquid phase was tracked by the red-shifted exciplex fluorescence with good spectral and spatial resolution. The direct calibration of the fluorescence intensity as a function of the fluorescing dopant concentrations then permitted the determination of quantitative concentration maps of liquid and vapor phases in the fuel. The 308 nm (XeCl) line of the excimer laser was used to excite the doped molecules in the fuel and the resulting fluorescence images were obtained with an ICCD detector as a function time. In this paper, the spectroscopy of the exciplex chemical sensors as well as the optical diagnostic method of the fluid distribution is discussed in detail.
Directory of Open Access Journals (Sweden)
Zhou H.
2006-12-01
Full Text Available The inevitable presence of water in high pressure-high temperature reservoirs leads to a number of new challenges for petroleum engineers. A brief state of the art on water-hydrocarbon phase equilibria is presented. It appears that large amounts of water may be present in the hydrocarbon phase (up to 10% molar, and non negligible amounts of gas can dissolve in water. Based on experimental data, a large number of models have been developed. However, concerning the limitations of the data, caution is expressed about the correctness of some models. Recent studies have proven the usefulness of Henry's constants to predict hydrocarbon solubilities in water. The new challenges that are raised by this problem are discussed based on a number of recent publications. The water present in the hydrocarbon may lead to salt deposits downwell, and it must be taken into account in order to estimate the amount of gas in place. It can also result in modifications of the saturation pressure. Due to the presence of water, additional treatment is needed for pipe transport. On the other hand, the large amount of hydrocarbons dissolved in the water phase may result in a modification of the hydrocarbon composition, especially when reservoir pressure becomes very low. The increased toxicity of the water, containing either H2S or aromatics, can become a real burden for gas reservoirs in contact with aquifers or when disposing of production water. During drilling, large amounts of dissolved gas can become very hazardous, increasing the risk of eruption. A particular attention must be paid to acid gas injection in reservoirs, as the true effect of the injected gas may not be straightforward to predict. In conclusion, in light of the industrial importance of this information, some general guidelines are provided concerning additional data to be gathered and ideas for improving current models. La présence inévitable d'eau dans les réservoirs à hautes pression et temp
Local composition shift of mixed working fluid in gas–liquid flow with phase transition
International Nuclear Information System (INIS)
Xu Xiongwen; Liu Jinping; Cao Le; Li Zeyu
2012-01-01
Local composition shift is an important characteristic of gas-liquid mixture flow with phase transition. It affects the heat transfer process, stream sonic velocity and the mixture distribution in the thermodynamic cycle. Presently, it is mainly calculated through the empirical models of the void fraction from pure fluid experiments. In this paper, we made efforts to obtain it and its rules basing on conservation equations derivation. The result calculated with propane/i-butane binary mixture was verified by the experiment in the evaporator of a refrigerator. As an extending, it was applied to a ternary mixture with components of methane, propane and butane and more information was presented and analyzed. The calculation approach presented in this paper can be applied any multicomponent mixture, and the rules will be helpful to improve the composition shift theory. - Highlights: ► Local composition shift of mixed working fluid in gas–liquid flow was modelled. ► A solution method for local composition of gas–liquid flow was proposed. ► The solution method was verified by the experimental result. ► Local composition shift mechanism of gas–liquid flow was studied
An Accurate Estimate of the Free Energy and Phase Diagram of All-DNA Bulk Fluids
Directory of Open Access Journals (Sweden)
Emanuele Locatelli
2018-04-01
Full Text Available We present a numerical study in which large-scale bulk simulations of self-assembled DNA constructs have been carried out with a realistic coarse-grained model. The investigation aims at obtaining a precise, albeit numerically demanding, estimate of the free energy for such systems. We then, in turn, use these accurate results to validate a recently proposed theoretical approach that builds on a liquid-state theory, the Wertheim theory, to compute the phase diagram of all-DNA fluids. This hybrid theoretical/numerical approach, based on the lowest-order virial expansion and on a nearest-neighbor DNA model, can provide, in an undemanding way, a parameter-free thermodynamic description of DNA associating fluids that is in semi-quantitative agreement with experiments. We show that the predictions of the scheme are as accurate as those obtained with more sophisticated methods. We also demonstrate the flexibility of the approach by incorporating non-trivial additional contributions that go beyond the nearest-neighbor model to compute the DNA hybridization free energy.
Fluid simulation of the conduction phase of the plasma erosion opening switch
International Nuclear Information System (INIS)
Grossmann, J.M.; Mosher, D.; Ottinger, P.F.
1987-01-01
The conduction phase of the plasma erosion openings switch (PEOS) is studied using a 1 1/2-D electromagnetic two-fluid code. The focus of this work is on understanding how two effects, a current-limiting model of electron emission, and the magnetic insulation of electrons at the cathode, determine current conduction in the plasma. Simulations are performed in the parameter regimes of the Gamble I, POP, and PBFA II pulsed power generators, and previous low-density, short-rise time simulations of the PEOS. Fluid code results are compared to a 1-D analytic theory and to the Gamble I and POP experiments. Good agreement between theory and simulation, but mixed agreement between simulation and experiment is found. Experimental Β-field measurements on POP show weaker j x Β compression than the simulation. Current penetration and plasma current channels qualitatively similar to experimental observation are found in the Gamble I regime. However, magnetic insulation of electrons emitted from the cathode bunches the electron flow into narrower current channels than observed experimentally. In several cases, the presence of an electron-scattering or energy-loss mechanism near the cathode must be invoked to overcome magnetic insulation and widen the current channels
Mills, G A; Walker, V
2000-12-01
Solid-phase microextraction (SPME) is a new solventless sample preparation technique that is finding wide usage. This review provides updated information on headspace SPME with gas chromatographic separation for the extraction and measurement of volatile and semivolatile analytes in biological fluids and materials. Firstly the background to the technique is given in terms of apparatus, fibres used, extraction conditions and derivatisation procedures. Then the different matrices, urine, blood, faeces, breast milk, hair, breath and saliva are considered separately. For each, methods appropriate for the analysis of drugs and metabolites, solvents and chemicals, anaesthetics, pesticides, organometallics and endogenous compounds are reviewed and the main experimental conditions outlined with specific examples. Then finally, the future potential of SPME for the analysis of biological samples in terms of the development of new devices and fibre chemistries and its coupling with high-performance liquid chromatography is discussed.
Trusler, J P Martin
2017-06-07
Phase behavior and thermophysical properties of mixtures of carbon dioxide with various other substances are very important for the design and operation of carbon capture and storage (CCS) processes. The available empirical data are reviewed, together with some models for the calculation of these properties. The systems considered in detail are, first, mixtures of carbon dioxide, water, and salts; second, carbon dioxide-rich nonelectrolyte mixtures; and third, mixtures of carbon dioxide with water and amines. The empirical data and the plethora of available models permit the estimation of key fluid properties required in the design and operation of CCS processes. The engineering community would benefit from the further development, and delivery in convenient form, of a small number of these models sufficient to encompass the component slate and operating conditions of CCS processes.
Neoclassical MHD equilibria with ohmic current
International Nuclear Information System (INIS)
Tokuda, Shinji; Takeda, Tatsuoki; Okamoto, Masao.
1989-01-01
MHD equilibria of tokamak plasmas with neoclassical current effects (neoclassical conductivity and bootstrap current) were calculated self-consistently. Neoclassical effects on JFT-2M tokamak plasmas, sustained by ohmic currents, were studied. Bootstrap currents flow little for L-mode type equilibria because of low attainable values of poloidal beta, β J . H-mode type equilibria give bootstrap currents of 30% ohmic currents for β J attained by JFT-2M and 100% for β J ≥ 1.5, both of which are sufficient to change the current profiles and the resultant MHD equilibria. Neoclassical conductivity which has roughly half value of the classical Spitzer conductivity brings peaked ohmic current profiles to yield low safety factor at the magnetic axis. Neoclassical conductivity reduces the value of effective Z(Z eff ) which is necessary to give the observed one-turn voltage but it needs impurities accumulating at the center when such peaked current profiles are not observed. (author)
Multiple equilibria in a simple elastocapillary system
Taroni, Michele; Vella, Dominic
2012-01-01
properties two stable equilibria may exist, and show via numerical solutions of the dynamic model that it is the initial state of the system that determines which stable equilibrium is ultimately reached. © 2012 Cambridge University Press.
Modeling and analysis of hydrodynamic instabilities in two-phase flow using two-fluid model
International Nuclear Information System (INIS)
Zhou, J.; Podowski, M.Z.
2001-01-01
Because of the practical importance of two-phase flow instabilities, especially in boiling water nuclear reactor technology, substantial efforts have been made to date to understand the physical phenomena governing such instabilities and to develop computational tools to model the dynamics of marginally-stable/unstable boiling systems. The purpose of this paper is to present an integrated methodology for the analysis of flow-induced instabilities in boiling channels and systems. The major novel aspects of the proposed approach are: (a) it is based on the combined frequency-domain and time-domain methods, the former used to quantify stability margins and to determine the onset of instability conditions, the latter to study the nonlinear system response outside the stability boundaries identified using the nearly-exact results of the frequency-domain analysis; (b) the two-fluid model of two-phase flow has been used for the first time to analytically derive the boiling channel transfer functions for the parallel-channel and channel-to-channel instability modes. In this way, the major characteristics of a boiling system, including the onset-of-instability conditions, can be readily evaluated by using the qualitative frequency-domain approach, whereas the explicit time-domain integration is performed, if necessary, only for the operating conditions that have already been identified as unstable. Both methods use the same physical two-fluid model that, in one case, is linearized and used to derive a rigorous analytical solution in the complex domain, and, in the other case, is solved numerically using an algorithm developed especially for this purpose. The results using both methods have been compared against each other and extensively tested. The testing and validation of the new model included comparisons of the predicted steady-state distributions of major parameters and of the transient channel response against experimental data
Evaluation of two-phase flow solvers using Level Set and Volume of Fluid methods
Bilger, C.; Aboukhedr, M.; Vogiatzaki, K.; Cant, R. S.
2017-09-01
Two principal methods have been used to simulate the evolution of two-phase immiscible flows of liquid and gas separated by an interface. These are the Level-Set (LS) method and the Volume of Fluid (VoF) method. Both methods attempt to represent the very sharp interface between the phases and to deal with the large jumps in physical properties associated with it. Both methods have their own strengths and weaknesses. For example, the VoF method is known to be prone to excessive numerical diffusion, while the basic LS method has some difficulty in conserving mass. Major progress has been made in remedying these deficiencies, and both methods have now reached a high level of physical accuracy. Nevertheless, there remains an issue, in that each of these methods has been developed by different research groups, using different codes and most importantly the implementations have been fine tuned to tackle different applications. Thus, it remains unclear what are the remaining advantages and drawbacks of each method relative to the other, and what might be the optimal way to unify them. In this paper, we address this gap by performing a direct comparison of two current state-of-the-art variations of these methods (LS: RCLSFoam and VoF: interPore) and implemented in the same code (OpenFoam). We subject both methods to a pair of benchmark test cases while using the same numerical meshes to examine a) the accuracy of curvature representation, b) the effect of tuning parameters, c) the ability to minimise spurious velocities and d) the ability to tackle fluids with very different densities. For each method, one of the test cases is chosen to be fairly benign while the other test case is expected to present a greater challenge. The results indicate that both methods can be made to work well on both test cases, while displaying different sensitivity to the relevant parameters.
Energy Technology Data Exchange (ETDEWEB)
Ninokata, H. [Tokyo Institute of Technology (Japan); Deguchi, A. [ENO Mathematical Analysis, Tokyo (Japan); Kawahara, A. [Kumamoto Univ., Kumamoto (Japan)
1995-09-01
A new void drift model for the subchannel analysis method is presented for the thermohydraulics calculation of two-phase flows in rod bundles where the flow model uses a two-fluid formulation for the conservation of mass, momentum and energy. A void drift model is constructed based on the experimental data obtained in a geometrically simple inter-connected two circular channel test sections using air-water as working fluids. The void drift force is assumed to be an origin of void drift velocity components of the two-phase cross-flow in a gap area between two adjacent rods and to overcome the momentum exchanges at the phase interface and wall-fluid interface. This void drift force is implemented in the cross flow momentum equations. Computational results have been successfully compared to experimental data available including 3x3 rod bundle data.
Directory of Open Access Journals (Sweden)
Čička R.
2012-01-01
Full Text Available The precipitation of secondary phases was investigated in the 0.17C-16Cr-11Mn-0.43N austenitic stainless steel during annealing at 800 and 850°C for times between 5 min and 100 h. Light microscopy, transmission electron microscopy, energy dispersive X-ray spectroscopy, scanning electron microscopy, and differential thermal analysis were used in experiments. Thermodynamic calculations were done by the ThermoCalc database software package. Cr2N and M23C6 were considered to be stable phases at the annealing temperatures. Cells consisting of alternating Cr2N and austenite lamellae were observed in the steel microstructure after sufficiently long annealing. The metastable chi phase was also found in all the annealed samples. After 100 h of annealing the equilibrium sigma started to precipitate. The thermodynamically predicted M6C was not confirmed experimentally in any of the annealed samples. DTA analysis showed the initial precipitation stage was followed by the phase dissolution. For the investigated steel the computational thermodynamics can be used only for qualitative interpretation of the experimental results as the measured endothermal peaks were found to be shifted of about 50 ÷ 70°C related to the computed results.
Computer analysis of an adiabatic Stirling cryocooler using a two-phase two-component working fluid
International Nuclear Information System (INIS)
Renfroe, D.A.; Cheung, C.M.
1992-01-01
This paper describes the performance and behavior of a Stirling cyrocooler incorporating a working fluid composed of helium and nitrogen. At the operating temperature of the cryocooler (80 K), the nitrogen component will condense in the freezer section. It is shown that the phase change in the working fluid increased the heat lifted for a given size and weight of machine and the coefficient of performance. The magnitude of these effects was dependent on the mass ratio of nitrogen to helium, phase angle between the compression and expansion processes, and the ratio of the compression space volume to the expansion space volume. The optimum heat lifted performance was obtained for a mass ratio of four parts of nitrogen to one part of helium, a phase angle of approximately 100 degrees, and a volume ratio of two which resulted in a heat lifted increase of 75% over the single phase, 90 degree phase angle configuration. The coefficient of performance showed a 20% improvement
Lee, Kang Il
2013-01-01
The present study aims to investigate the influence of the pore fluid on the phase velocity in bovine trabecular bone in vitro. The frequency-dependent phase velocity was measured in 20 marrow-filled and water-filled bovine femoral trabecular bone samples. The mean phase velocities at frequencies between 0.6 and 1.2 MHz exhibited significant negative dispersions for both the marrow-filled and the water-filled samples. The magnitudes of the dispersions showed no significant differences between the marrow-filled and the water-filled samples. In contrast, replacement of marrow by water led to a mean increase in the phase velocity of 27 m/s at frequencies from 0.6 to 1.2 MHz. The theoretical phase velocities of the fast wave predicted by using the Biot model for elastic wave propagation in fluid-saturated porous media showed good agreements with the measurements.
Computational fluid dynamics modeling of two-phase flow in a BWR fuel assembly
International Nuclear Information System (INIS)
Andrey Ioilev; Maskhud Samigulin; Vasily Ustinenko; Simon Lo; Adrian Tentner
2005-01-01
Full text of publication follows: The goal of this project is to develop an advanced Computational Fluid Dynamics (CFD) computer code (CFD-BWR) that allows the detailed analysis of the two-phase flow and heat transfer phenomena in a Boiling Water Reactor (BWR) fuel bundle under various operating conditions. This code will include more fundamental physical models than the current generation of sub-channel codes and advanced numerical algorithms for improved computational accuracy, robustness, and speed. It is highly desirable to understand the detailed two-phase flow phenomena inside a BWR fuel bundle. These phenomena include coolant phase changes and multiple flow regimes which directly influence the coolant interaction with fuel assembly and, ultimately, the reactor performance. Traditionally, the best analysis tools for the analysis of two-phase flow phenomena inside the BWR fuel assembly have been the sub-channel codes. However, the resolution of these codes is still too coarse for analyzing the detailed intra-assembly flow patterns, such as flow around a spacer element. Recent progress in Computational Fluid Dynamics (CFD), coupled with the rapidly increasing computational power of massively parallel computers, shows promising potential for the fine-mesh, detailed simulation of fuel assembly two-phase flow phenomena. However, the phenomenological models available in the commercial CFD programs are not as advanced as those currently being used in the sub-channel codes used in the nuclear industry. In particular, there are no models currently available which are able to reliably predict the nature of the flow regimes, and use the appropriate sub-models for those flow regimes. The CFD-BWR code is being developed as a customized module built on the foundation of the commercial CFD Code STAR-CD which provides general two-phase flow modeling capabilities. The paper describes the model development strategy which has been adopted by the development team for the
DEFF Research Database (Denmark)
Comminal, Raphaël; Spangenberg, Jon; Hattel, Jesper Henri
Accurate multi-phase flow solvers at low Reynolds number are of particular interest for the simulation of interface instabilities in the co-processing of multilayered material. We present a two-phase flow solver for incompressible viscous fluids which uses the streamfunction as the primary variable...... of the flow. Contrary to fractional step methods, the streamfunction formulation eliminates the pressure unknowns, and automatically fulfills the incompressibility constraint by construction. As a result, the method circumvents the loss of temporal accuracy at low Reynolds numbers. The interface is tracked...
DEFF Research Database (Denmark)
Comminal, Raphaël; Spangenberg, Jon; Hattel, Jesper Henri
2014-01-01
Accurate multi-phase flow solvers at low Reynolds number are of particular interest for the simulation of interface instabilities in the co-processing of multilayered material. We present a two-phase flow solver for incompressible viscous fluids which uses the streamfunction as the primary variable...... of the flow. Contrary to fractional step methods, the streamfunction formulation eliminates the pressure unknowns, and automatically fulfills the incompressibility constraint by construction. As a result, the method circumvents the loss of temporal accuracy at low Reynolds numbers. The interface is tracked...
Malaspina, Nadia; Alvaro, Matteo; Campione, Marcello; Wilhelm, Heribert; Nestola, Fabrizio
2015-03-01
Remnants of the fluid phase at ultrahigh pressure (UHP) in subduction environments may be preserved as primary multiphase inclusions in UHP minerals. The mode of crystallization of daughter minerals during precipitation within the inclusion and/or the mechanism of interaction between the fluid at supercritical conditions and the host mineral are still poorly understood from a crystallographic point of view. A case study is represented by garnet-orthopyroxenites from the Maowu Ultramafic Complex (China) deriving from harzburgite precursors metasomatized at ~4 GPa, 750 °C by a silica- and incompatible trace element-rich fluid phase. This metasomatism produced poikilitic orthopyroxene and inclusion-rich garnet porphyroblasts. Solid multiphase primary inclusions in garnet display a size within a few tens of micrometres and negative crystal shapes. Infilling minerals (spinel: 10-20 vol%; amphibole, chlorite, talc, mica: 80-90 vol%) occur with constant volume proportions and derive from trapped solute-rich aqueous fluids. To constrain the possible mode of precipitation of daughter minerals, we performed for the first time a single-crystal X-ray diffraction experiment by synchrotron radiation at Diamond Light Source. In combination with electron probe microanalyses, this measurement allowed the unique identification of each mineral phase and reciprocal orientations. We demonstrated the epitaxial relationship between spinel and garnet and between some hydrous minerals. Such information is discussed in relation to the physico-chemical aspects of nucleation and growth, shedding light on the mode of mineral crystallization from a fluid phase trapped at supercritical conditions.
International Nuclear Information System (INIS)
Marciniak, Andrzej; Królikowski, Marek
2012-01-01
Highlights: ► Ternary (liquid + liquid) equilibria for 3 ionic liquid + thiophene + heptane systems. ► The influence of ionic liquid structure on phase diagrams is discussed. ► High selectivity for separation of heptane/thiophene is observed. - Abstract: Ternary (liquid + liquid) equilibria for three systems containing ionic liquids {(4-(2-methoxyethyl)-4-methylmorpholinium trifluorotris(perfluoroethyl)phosphate, 1-(2-methoxyethyl)-1-methylpiperidinium trifluorotris(perfluoroethyl)phosphate, 1-(2-methoxyethyl)-1-methylpyrrolidinium trifluorotris(perfluoroethyl)phosphate) + thiophene + heptane} have been determined at T = 298.15 K. All systems showed high solubility of thiophene in the ionic liquid and low solubility of heptane. The solute distribution coefficient and the selectivity were calculated for all systems. High values of selectivity were obtained. The experimental results have been correlated using NRTL model. The influence of ionic liquid structure on phase equilibria is discussed.
Design of a Subscale Propellant Slag Evaluation Motor Using Two-Phase Fluid Dynamic Analysis
Whitesides, R. Harold; Dill, Richard A.; Purinton, David C.; Sambamurthi, Jay K.
1996-01-01
Small pressure perturbations in the Space Shuttle Reusable Solid Rocket Motor (RSRM) are caused by the periodic expulsion of molten aluminum oxide slag from a pool that collects in the aft end of the motor around the submerged nozzle nose during the last half of motor operation. It is suspected that some motors produce more slag than others due to differences in aluminum oxide agglomerate particle sizes that may relate to subtle differences in propellant ingredient characteristics such as particle size distributions or processing variations. A subscale motor experiment was designed to determine the effect of propellant ingredient characteristics on the propensity for slag production. An existing 5 inch ballistic test motor was selected as the basic test vehicle. The standard converging/diverging nozzle was replaced with a submerged nose nozzle design to provide a positive trap for the slag that would increase the measured slag weights. Two-phase fluid dynamic analyses were performed to develop a nozzle nose design that maintained similitude in major flow field features with the full scale RSRM. The 5 inch motor was spun about its longitudinal axis to further enhance slag collection and retention. Two-phase flow analysis was used to select an appropriate spin rate along with other considerations, such as avoiding bum rate increases due to radial acceleration effects. Aluminum oxide particle distributions used in the flow analyses were measured in a quench bomb for RSRM type propellants with minor variations in ingredient characteristics. Detailed predictions for slag accumulation weights during motor bum compared favorably with slag weight data taken from defined zones in the subscale motor and nozzle. The use of two-phase flow analysis proved successful in gauging the viability of the experimental program during the planning phase and in guiding the design of the critical submerged nose nozzle.
Axisymmetric ideal magnetohydrodynamic equilibria with incompressible flows
International Nuclear Information System (INIS)
Tasso, H.; Throumoulopoulos, G.N.
1997-12-01
It is shown that the ideal MHD equilibrium states of an axisymmetric plasma with incompressible flows are governed by an elliptic partial differential equation for the poloidal magnetic flux function ψ containing five surface quantities along with a relation for the pressure. Exact equilibria are constructed including those with non vanishing poloidal and toroidal flows and differentially varying radial electric fields. Unlike the case in cylindrical incompressible equilibria with isothermal magnetic surfaces which should have necessarily circular cross sections [G. N. Throumoulopoulos and H. Tasso, Phys. Plasmas 4, 1492 (1997)], no restriction appears on the shapes of the magnetic surfaces in the corresponding axisymmetric equilibria. The latter equilibria satisfy a set of six ordinary differential equations which for flows parallel to the magnetic field B can be solved semianalytically. In addition, it is proved the non existence of incompressible axisymmetric equilibria with (a) purely poloidal flows and (b) non-parallel flows with isothermal magnetic surfaces and vertical stroke B vertical stroke = vertical stroke B vertical stroke (ψ) (omnigenous equilibria). (orig.)
Zhong, X.; Galvez, M. E.
2017-12-01
Metamorphic fluids are a crucial ingredient of geodynamic evolution, i.e. heat transfer, rock mechanics and metamorphic/metasomatic reactions. During crustal evolution at elevated P and T, rock forming components can be effectively fractionated from the reactive rock system by at least two processes: 1. extraction from porous rocks by liquid phases such as solute-bearing (e.g. Na+, Mg2+) aqueous fluids or partial melts. 2. isolation from effective bulk rock composition due to slow intragranular diffusion in high-P refractory phases such as garnet. The effect of phase fractionation (garnet, partial melt and aqueous species) on fluid - rock composition and properties remain unclear, mainly due to a high demand in quantitative computations of the thermodynamic interactions between rocks and fluids over a wide P-T range. To investigate this problem, we build our work on an approach initially introduced by Galvez et al., (2015) with new functionalities added in a MATLAB code (Rubisco). The fluxes of fractionated components in fluid, melt and garnet are monitored along a typical prograde P-T path for a model crustal pelite. Some preliminary results suggest a marginal effect of fractionated aqueous species on fluid and rock properties (e.g. pH, composition), but the corresponding fluxes are significant in the context of mantle wedge metasomatism. Our work provides insight into the role of high-P phase fractionation on mass redistribution between the surface and deep Earth in subduction zones. Existing limitations relevant to our liquid/mineral speciation/fractionation model will be discussed as well. ReferencesGalvez, M.E., Manning, C.E., Connolly, J.A.D., Rumble, D., 2015. The solubility of rocks in metamorphic fluids: A model for rock-dominated conditions to upper mantle pressure and temperature. Earth Planet. Sci. Lett. 430, 486-498.
Energy Technology Data Exchange (ETDEWEB)
Masella, J.M.
1997-05-29
This thesis is devoted to the numerical simulation of some two-fluid models describing gas-liquid two-phase flow in pipes. The numerical models developed here can be more generally used in the modelling of a wide class of physical models which can be put under an hyperbolic form. We introduce first two isothermal two-fluid models, composed of a mass balance equation and a momentum equation written in each phase, describing respectively a stratified two-phase flow and a dispersed two-phase flow. These models are hyperbolic under some physical assumptions and can be written under a nonconservative vectorial system. We define and analyse a new numerical finite volume scheme (v{integral}Roe) founded on a linearized Riemann solver. This scheme does not need any analytical calculation and gives good results in the tracking of shocks. We compare this new scheme with the classical Roe scheme. Then we propose and study some numerical models, with and without flux splitting method, which are adapted to the discretization of the two-fluid models. This numerical models are given by a finite volume integration of the equations, and lean on the v{integral} scheme. In order to reducing cpu time, due to the low Mach number of two-phase flows, acoustic waves are implicit. Afterwards we proposed a discretization of boundary conditions, which allows the generation of transient flows in pipe. Some numerical academic and more physical tests show the good behaviour of the numerical methods. (author) 77 refs.
Implicit approximate Riemann solver for two fluid two phase flow models
International Nuclear Information System (INIS)
Raymond, P.; Toumi, I.; Kumbaro, A.
1993-01-01
This paper is devoted to the description of new numerical methods developed for the numerical treatment of two phase flow models with two velocity fields which are now widely used in nuclear engineering for design or safety calculations. These methods are finite volumes numerical methods and are based on the use of Approximate Riemann Solver's concepts in order to define convective flux versus mean cell quantities. The first part of the communication will describe the numerical method for a three dimensional drift flux model and the extensions which were performed to make the numerical scheme implicit and to have fast running calculations of steady states. Such a scheme is now implemented in the FLICA-4 computer code devoted to 3-D steady state and transient core computations. We will present results obtained for a steady state flow with rod bow effect evaluation and for a Steam Line Break calculation were the 3-D core thermal computation was coupled with a 3-D kinetic calculation and a thermal-hydraulic transient calculation for the four loops of a Pressurized Water Reactor. The second part of the paper will detail the development of an equivalent numerical method based on an approximate Riemann Solver for a two fluid model with two momentum balance equations for the liquid and the gas phases. The main difficulty for these models is due to the existence of differential modelling terms such as added mass effects or interfacial pressure terms which make hyperbolic the model. These terms does not permit to write the balance equations system in a conservative form, and the classical theory for discontinuity propagation for non-linear systems cannot be applied. Meanwhile, the use of non-conservative products theory allows the study of discontinuity propagation for a non conservative model and this will permit the construction of a numerical scheme for two fluid two phase flow model. These different points will be detailed in that section which will be illustrated by
Huang, Chien-Yueh; Petschek, R. G.
1998-03-01
We investigate the possible mesophases in emulsions of chiral nematic liquid crystals with immiscible isotropic fluids and surfactants. The interactions between the orientational fields of the chiral nematics and the surfactant membranes together with the topological constraints affect stability of micellar geometries and produce a new phase diagram. We compare the free energies of various candidate phases. Appropriate, likely realizable conditions on the surfactant and the pitch of the liquid crystal result in thermodynamically stable blue-phase like phases for a relatively wide range of parameters. Processing such emulsions may result in materials with photonic band gaps.
Study of high-pressure adsorption from supercritical fluids by the potential theory
DEFF Research Database (Denmark)
Monsalvo, Matias Alfonso; Shapiro, Alexander
2009-01-01
The multicomponent potential theory of adsorption (MPTA), which has been previously used to study low-pressure adsorption of subcritical fluids, is extended to adsorption equilibria from supercritical fluids up to high pressures. The MPTA describes an adsorbed phase as an inhomogeneous fluid...... the adsorbed and the gas phases. We have also evaluated the performance of the classical Soave-Redlich-Kwong (SRK) EoS. The fluid-solid interactions are described by simple Dubinin-Radushkevich-Astakhov (DRA) potentials. In addition, we test the performance of the 10-4-3 Steele potential. It is shown...... that application of sPC-SAFT slightly improves the performance of the MPTA and that in spite of its simplicity, the DRA model can be considered as an accurate potential, especially, for mixture adsorption. We show that, for the sets of experimental data considered in this work, the MPTA is capable of predicting...
Theory for added mass of a vibrating circular rod in a two-phase air-water fluid
International Nuclear Information System (INIS)
Kohgo, Osamu; Hara, Fumio
1985-01-01
It has been well known that there are added mass and attenuation effect due to surrounding fluid in a structure vibrating in the fluid, and those are different according to the density and viscosity of the fluid and the form of the structure. In this study, in order to clarify added mass, the model of the vapor-liquid two-phase fluid with discontinuous density distribution was made. That is, bubbles were assumed to be a bubble column without bending stiffness and mass, and potential analysis was applied to a two-dimensional fluid field composed of a round section beam and the bubble column, thus their relative motion was hydrodynamically analyzed, and the theory for evaluating added mass was developed. The added mass experimentally determined from the response gain of a single round section cantilever when it was oscillated steadily, uniformly and at random in the vapor-liquid two-phase fluid being stationary as a whole and the theoretical result were examined by comparison, and equivalent bubble diameter was considered, thereafter, the validity of the model was examined. (Kako, I.)
Interface model coupling in fluid dynamics: application to two-phase flows
International Nuclear Information System (INIS)
Galie, Th.
2009-03-01
This thesis is devoted to the study of interface model coupling problems in space between different models of compressible flows. We consider one-dimensional problems where the interface is sharp, fixed and separating two regions of space corresponding to the two coupled models. Our goal is to define a coupling condition at the interface and to solve numerically the coupling problem with this condition. After a state of art on the interface model coupling of hyperbolic systems of conservation laws, we propose a new coupling condition by adding in the equations of the coupled problem a measure source term at the interface. We first suppose a given constant weight associated to this source term. Two Riemann solvers are developed and one of them is based on a relaxation approach preserving equilibrium solutions of the coupled problem. This relaxation method is then used in an optimization problem, defined by several motivations at the interface, which permits to calculate a time dynamical weight. In a second part, we develop an approached Riemann solver for a two-phase two-pressure model in the particular case of a two-phase isentropic flow. Such a model contains non conservative terms that we write under the form of measure source terms. The previous relaxation method is thus extended to the case of the two-phase two-pressure model with an a priori estimation of the non conservative term contributions. The method allows us to solve, in the next and last chapter, the coupling problem of a two-fluid two-pressure model with a drift-flux model thanks to the father model approach. (authors)
International Nuclear Information System (INIS)
Katayama, Shinji; Asari, Shoji; Ohmoto, Takashi
1993-01-01
Measurements of the cerebrospinal fluid (CSF) flow using phase contrast cine magnetic resonance (MR) imaging were performed on a phantom, 12 normal subjects and 20 patients with normal pressure hydrocephalus (NPH). The phantom study demonstrated the applicability of phase contrast in quantitative measurement of the slow flow. The CSF flows of the normal subjects showed a consistent pattern with a to-and-fro movement of the flow in the anterior subarachnoid space at the C2/3 level, and they were dependent on the cardiac cycle in all subjects. However, the patients with NPH showed variable patterns of the CSF pulsatile flow and these patterns could be divided into four types according to velocity and amplitude. The amplitudes of each type were as follows: type 0 (n=1), 87.6 mm; type I (n=2), 58.2 mm (mean); type II (n=6), 48.0±5.0 mm (mean±SEM); and type III (n=11), 19.9±1.8 mm (mean±SEM). The decrease of the amplitudes correlated to a worsening of the clinical symptoms. After the shunting operation, the amplitude of to-and-fro movement of the CSF increased again in the patients with NPH who improved clinically. Some of the type III cases were reclassified type II, I and 0 and also one of the type II cases changed type I after the shunting operation. We conclude that the phase contrast cine MR imaging is a practically and clinically applicable technique for the quantitative measurement of the CSF flow. (author)
International Nuclear Information System (INIS)
Chao Yan; Martire, D.E.
1992-01-01
A mean-field lattice model is used to describe the partitioning of blocklike molecules between an isotropic mobile phase and an anisotropic stationary phase in chromatography by applying it to supercritical fluid retention of polycyclic aromatic hydrocarbons in a polymeric smectic phase. This concludes that the logarithm of the capacity factor (1) increases linearly with increasing reciprocal temperature, (2) decreases with increasing mobile phase density more rapidly for solute molecules with a relatively larger contact area with the mobile phase, and (3) is a linear function of the minimum area. The van't Hoff plot slope is also determined to be more negative for solute molecules with a relatively larger ratio of contact area with the stationary phase versus the mobile phase. 18 refs., 9 figs., 5 tabs
International Nuclear Information System (INIS)
Tsivintzelis, Ioannis; Kontogeorgis, Georgios M.
2016-01-01
Highlights: • CPA EoS was applied to predict the phase behaviour of multicomponent mixtures containing CO_2, glycols, water and alkanes. • Mixtures relevant to oil and gas, CO_2 capture and liquid or supercritical CO_2 transport applications were investigated. • Results are presented using various modelling approaches/association schemes. • The predicting ability of the model was evaluated against experimental data. • Conclusions for the best modelling approach are drawn. - Abstract: In this work the Cubic Plus Association (CPA) equation of state is applied to multicomponent mixtures containing CO_2 with alkanes, water, and glycols. Various modelling approaches are used i.e. different association schemes for pure CO_2 (assuming that it is a non-associating compound, or that it is a self-associating fluid with two, three or four association sites) and different possibilities for modelling mixtures of CO_2 with other hydrogen bonding fluids (only use of one interaction parameter k_i_j or assuming cross association interactions and obtaining the relevant parameters either via a combining rule or using an experimental value for the cross association energy). Initially, new binary interaction parameters were estimated for (CO_2 + glycol) binary mixtures. Having the binary parameters from the binary systems, the model was applied in a predictive way (i.e. no parameters were adjusted to data on ternary and multicomponent mixtures) to model the phase behaviour of ternary and quaternary systems with CO_2 and glycols. It is concluded that CPA performs satisfactorily for most multicomponent systems considered. Some differences between the various modelling approaches are observed. This work is the last part of a series of studies, which aim to arrive in a single “engineering approach” for applying CPA to acid gas mixtures, without introducing significant changes to the model. An overall assessment, based also on the obtained results of this series (Tsivintzelis
Binding of monoclonal antibody to protein antigen in fluid phase or bound to solid supports
Energy Technology Data Exchange (ETDEWEB)
Kennel, S J
1982-01-01
Rat monoclonal antibody (MoAb) to fragment D (FgD) of human fibrinogen was used to characterize the direct binding of antibody to protein in solution or bound to solid supports. Purified IgG, F(ab')/sub 2/ and Fab' were prepared from ascites fluid of hybridoma 104-14B which is a fusion product of spleen cells from a rat immunized with FgD and the mouse myeloma cell line, P3-X63-Ag8. Two-dimensional electrophoresis of radioiodinated antibody preparations demonstrated the presence of hybrid immunoglobulin molecules, but only structures having rat heavy and rat light chains had active antibody combinig sites. The affinity constant for IgG as well as F(ab')/sub 2/ and Fab', 6x10/sup 9/ M/sup -1/, was identical when tested using fluid phase antigen (/sup 125/I-labeled FgD). Affinity constants determined for direct binding of iodinated IgG using FgD immobilized on solid supports showed a slight dependence on the antigen concentration used in the measurement. These values ranged from 0.5x10/sup 9/ M/sup -1/ at high antigen concentrations (1.3x10/sup -7/ M) to 9x10/sup 9/ M/sup -1/ at low antigen concentration (1.3x10/sup -10/ M). Binding constants for F(ab')/sub 2/ and Fab' gave similar results indicating that binding was homogeneous and univalent. The capacity of solid state antigen to bind antibody varied with the method used to bind FgD to the solid support. FgD bound directly to polystyrene plates was least efficient at binding labeled antibody; FgD bound to plates through intermediate carriers poly(L-lysine) was only slightly more efficient, while antigen bound to Sepharose beads by cyanogen bromide activation was the most active.
A numerical model of two-phase flow at the micro-scale using the volume-of-fluid method
Shams, Mosayeb; Raeini, Ali Q.; Blunt, Martin J.; Bijeljic, Branko
2018-03-01
This study presents a simple and robust numerical scheme to model two-phase flow in porous media where capillary forces dominate over viscous effects. The volume-of-fluid method is employed to capture the fluid-fluid interface whose dynamics is explicitly described based on a finite volume discretization of the Navier-Stokes equations. Interfacial forces are calculated directly on reconstructed interface elements such that the total curvature is preserved. The computed interfacial forces are explicitly added to the Navier-Stokes equations using a sharp formulation which effectively eliminates spurious currents. The stability and accuracy of the implemented scheme is validated on several two- and three-dimensional test cases, which indicate the capability of the method to model two-phase flow processes at the micro-scale. In particular we show how the co-current flow of two viscous fluids leads to greatly enhanced flow conductance for the wetting phase in corners of the pore space, compared to a case where the non-wetting phase is an inviscid gas.
DEFF Research Database (Denmark)
Coman, Paul Tiberiu; Veje, Christian
2014-01-01
This paper presents a dynamic model for simulating the heat generation and the impact of Phase Change Materials (PCMs) on the maximum temperature in LiFePO4 battery cells. The model is constructed by coupling a one-dimensional electro-chemical model with a two-dimensional thermal model and fluid...
DEFF Research Database (Denmark)
Tsivintzelis, Ioannis; Grenner, Andreas; Economou, Ioannis
2008-01-01
satisfactory and often very similar results for the phase behavior of the investigated mixtures. sPC-SAFT yielded more accurate predictions, while NRHB yielded more accurate correlations, in mixtures of water with normal alkanes and cycloalkanes. In water-aromatic hydrocarbon mixtures, satisfactory...... correlations were obtained only when solvation was accounted for. Both models resulted in satisfactory correlations for all other mixtures, while for specific mixtures, one model may perform better than the other. Finally, both models, despite that they are based on totally different approaches...
Debris transport evaluation during the blow-down phase of a LOCA using computational fluid dynamics
International Nuclear Information System (INIS)
Park, Jong Pil; Jeong, Ji Hwan; Kim, Won Tae; Kim, Man Woong; Park, Ju Yeop
2011-01-01
Highlights: → We conducted CFD simulation on the spreading of the coolant in the containment after a break of the hot leg. It is used to estimate the dispersion of the debris within the containment. → It was assumed that the small and fine debris is transported by the discharge flow so that a fraction of the small and fine debris transport can be estimated based on the amount of water. → The break flow was assumed to be a homogeneous two-phase mixture without phase separation. Isenthalpic expansion of the break flow was used to specify the inlet boundary condition of the break flow. → The fraction of the small and fine debris transported to the upper part is 73%; this value is close to the value calculated using 1D lumped-parameter codes by the USNRC and the KINS, respectively, while 48% more than the value shown in the NEI 04-07. - Abstract: The performance of the emergency recirculation water sump under the influence of debris accumulation following a loss-of-coolant accident (LOCA) has long been of safety concern. Debris generation and transport during a LOCA are significantly influenced by the characteristics of the ejected coolant flow. One-dimensional analyses previously have been attempted to evaluate the debris transport during the blow-down phase but the transport evaluation still has large uncertainties. In this work, a computational fluid dynamics (CFD) analysis was utilized to evaluate small and fine debris transport during the blow-down phase of a pressurized water reactor, OPR1000. The coolant ejected from the ruptured hot-leg was assumed to expand in an isenthalpic process. The transport of small and fine debris was assumed to be dominated by water-borne transport, and the transport fractions for the upper and lower parts of the containment were quantified based on the CFD analysis. It was estimated that 73% of small and fine debris is transported to the upper part of the containment. This value is close to the values estimated by nuclear
International Nuclear Information System (INIS)
Chao Yan; Martire, D.E.
1992-01-01
This report discusses a molecular theory of chromatography for blocklike solutes in isotropic stationary phases as an extension to the anisotopic phase approach. Its it applied to gas, liquid, and supercritical fluid chromatography
Assessment of solid/liquid equilibria in the (U, Zr)O
Mastromarino, S.; Seibert, AF; Hashem, E.; Ciccioli, A.; Prieur, Damien; Scheinost, Andreas C.; Stohr, S.; Lajarge, P; Boshoven, JG; Robba, D.; Ernstberger, M; Bottomley, D.; Manara, D
2017-01-01
Solid/liquid equilibria in the system UO_{2}–ZrO_{2} are revisited in this work by laser heating coupled with fast optical thermometry. Phase transition points newly measured under inert gas are in fair agreement with the early measurements performed by Wisnyi et al., in 1957, the
Courbin, L.; Benayad, A.; Panizza, P.
2006-01-01
By means of several rheophysics techniques, we report on an extensive study of the couplings between flow and microstructures in a two-phase fluid made of lamellar (Lα) and sponge (L3) phases. Depending on the nature of the imposed dynamical parameter (stress or shear rate) and on the experimental conditions (brine salinity or temperature), we observe several different structural steady states consisting of either multilamellar droplets (with or without a long range order) or elongated (L3) phase domains. Two different astonishing phenomena, shear-induced phase inversion and relaxation oscillations, are observed. We show that (i) phase inversion is related to a shear-induced topological change between monodisperse multilamellar droplets and elongated structures and (ii) droplet size relaxation oscillations result from a shear-induced change of the surface tension between both coexisting (Lα) and (L3) phases. To explain these relaxation oscillations, we present a phenomenological model and compare its numerical predictions to our experimental results.
International Nuclear Information System (INIS)
Marques, Leonardo C.; Nagata, Rodrigo; Appoloni, Carlos R.; Moreira, Anderson C.; Fernanades, Celso P.
2011-01-01
The X-ray microtomography has showed to be a useful tool for studies of inner structure of reservoir rocks. Moreover recent works have used this methodology to visualize different fluid phases present in these microstructures. In this paper X-ray microtomography has been applied to visualize three fluid phases, separately or simultaneously, in addition to a solid phase (glass beads). Two glass beads samples were manufactured and scanned, one with 0.8 mm (GB1) and other with 0.6 mm (GB2) diameter, respectively. The three fluid phases used were air, oil and a water-salt-potassium iodine solution. Two Skyscan scanners were used, both a 1172 model, which employs X-ray tube with W anode and cone beam. This laboratory based equipment is able to provide images of until 1 μm spatial resolution. One microtomograph is located at CENPES/PETROBRAS and has a CCD camera of 10 mega pixels resolution. It was used to measure the GB1 sample at 4.84 μm spatial resolution. The other one is located at LAMIR/UFPR and has a CCD camera of 11 mega pixels resolution. It was used to measure the GB2 sample at 4.99 μm spatial resolution. GB1 sample was set up with three fluid phases and presented 38.0 (2.7) % of total porosity before fluid presence and 3.5 % and 19.8 %, as lower and higher average porosity values, respectively, after to be filled with them. GB2 sample was set up with oil and water-salt-potassium iodine solution separated. It presented 36.7 (1.9) % of total porosity when dried, 18.7 (2.0) % when filled with oil and 0 % when filled with the solution. The 2D images clearly show the presence of the solution in addition to the air and solid phases. They also show that the presence of oil phase is less clear than the solution. When all the phases are present together in the sample it is possible to differentiate all of them. Individual 3D images are shown for each phase present in the sample. The 3D image containing all the phases is also shown. (author)