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Sample records for binary fluid mixture

  1. Hydrodynamic 'memory' of binary fluid mixtures

    SciTech Connect

    Kalashnik, M. V.; Ingel, L. Kh.

    2006-07-15

    A theoretical analysis is presented of hydrostatic adjustment in a two-component fluid system, such as seawater stratified with respect to temperature and salinity. Both linear approximation and nonlinear problem are investigated. It is shown that scenarios of relaxation to a hydrostatically balanced state in binary fluid mixtures may substantially differ from hydrostatic adjustment in fluids that can be stratified only with respect to temperature. In particular, inviscid two-component fluids have 'memory': a horizontally nonuniform disturbance in the initial temperature or salinity distribution does not vanish even at the final stage, transforming into a persistent thermohaline 'trace.' Despite stability of density stratification and convective stability of the fluid system by all known criteria, an initial temperature disturbance may not decay and may even increase in amplitude. Moreover, its sign may change (depending on the relative contributions of temperature and salinity to stable background density stratification). Hydrostatic adjustment may involve development of discontinuous distributions from smooth initial temperature or concentration distributions. These properties of two-component fluids explain, in particular, the occurrence of persistent horizontally or vertically nonuniform temperature and salinity distributions in the ocean, including discontinuous ones.

  2. Binary mixtures of simple fluids in structured slit micropores

    NASA Astrophysics Data System (ADS)

    Curry, J. E.; Cushman, John H.

    The grand canonical Monte Carlo method is used to study a binary mixture of Lennard-Jones atoms confined to an atomically structured slit micropore which is in thermodynamic equilibrium with its bulk phase counterpart. In one example, the mixture consists of atoms of two distinct sizes, but with the same minimum depth in potential energy. In another example a binary mixture of different size atoms is again considered, but in the latter case the larger atom has a deeper potential energy minimum. Three mechanisms are found which influence selective adsorption of a mixture species: (i) liquid-like fluid layering, (ii) inplane solid-like ordering and (iii) molecular sieving. The large atoms are completely eliminated from the pore when the wall separation is physically too small for the large atoms to fit, or when both species physically fit in the pore and the small component epitaxially aligns with the surface or freezes. Complete elimination of the small species is not observed. A significant excess of large atoms in the pore relative to the composition in the bulk phase is found only when the large atoms attain transverse order within the fluid layers. The adsorption of the large component is either enhanced or reduced depending on the relative magnitude of the potential energy well depth of the fluid and wall species.

  3. Small Scale Evaporation Kinetics of a Binary Fluid Mixture

    NASA Astrophysics Data System (ADS)

    Basdeo, Carl; Ye, Dezhuang; Kalonia, Devendra; Fan, Tai-Hsi; Mechanical Engineering Team; Pharmaceutical Sciences Collaboration

    2013-03-01

    Evaporation induces a concentrating effect in liquid mixtures. The transient process has significant influence on the dynamic behaviors of a complex fluid. To simultaneously investigate the fluid properties and small-scale evaporation kinetics during the transient process, the quartz crystal microbalance is applied to a binary mixture droplet of light alcohols including both a single volatile component (a fast evaporation followed by a slow evaporation) and a mixture of two volatile components with comparable evaporation rates. The density and viscosity stratification are evaluated by the shear wave, and the evaporation kinetics is measured by the resonant signature of the acoustic p-wave. The evaporation flux can be precisely determined by the resonant frequency spikes and the complex impedance. To predict the concentration field, the moving interface, and the precision evaporation kinetics of the mixture, a multiphase model is developed to interpret the complex impedance signals based on the underlying mass and momentum transport phenomena. The experimental method and theoretical model are developed for better characterizing and understanding of the drying process involving liquid mixtures of protein pharmaceuticals.

  4. Turbidity of a binary fluid mixture: Determining eta

    NASA Technical Reports Server (NTRS)

    Jacobs, Donald T.

    1994-01-01

    A ground based (1-g) experiment is in progress that will measure the turbidity of a density-matched, binary fluid mixture extremely close to the critical point. By covering the range of reduced temperatures t is equivalent to (T-T(sub c))/T(sub c) from 10(exp -8) to 10(exp -2), the turbidity measurements will allow the critical exponent eta to be determined. No experiment has determined a value of the critical exponent eta, yet its value is significant to theorists in critical phenomena. Interpreting the turbidity correctly is important if future NASA flight experiments use turbidity as an indirect measurement of relative temperature in shuttle experiments on critical phenomena in fluids.

  5. Turbidity of a Binary Fluid Mixture: Determining Eta

    NASA Technical Reports Server (NTRS)

    Jacobs, Donald T.

    1996-01-01

    A ground based (1-g) experiment is in progress that will measure the turbidity of a density-matched, binary fluid mixture extremely close to its liquid-liquid critical point. By covering the range of reduced temperatures t equivalent to (T-T(sub c)) / T(sub c) from 10(exp -8) to 10(exp -2), the turbidity measurements will allow the critical exponent eta to be determined. No experiment has precisely determined a value of the critical exponent eta, yet its value is significant to theorists in critical phenomena. Relatively simple critical phenomena, as in the liquid-liquid system studied here, serve as model systems for more complex systems near a critical point.

  6. Isomorphic Viscosity Equation of State for Binary Fluid Mixtures.

    PubMed

    Behnejad, Hassan; Cheshmpak, Hashem; Jamali, Asma

    2015-01-01

    The thermodynamic behavior of the simple binary mixtures in the vicinity of critical line has a universal character and can be mapped from pure components using the isomorphism hypothesis. Consequently, based upon the principle of isomorphism, critical phenomena and similarity between P-ρ-T and T-η-(viscosity)-P relationships, the viscosity model has been developed adopting two cubic, Soave-Redlich-Kwong (SRK) and Peng-Robinson (PR), equations of state (EsoS) for predicting the viscosity of the binary mixtures. This procedure has been applied to the methane-butane mixture and predicted its viscosity data. Reasonable agreement with the experimental data has been observed. In conclusion, we have shown that the isomorphism principle in conjunction with the mapped viscosity EoS suggests a reliable model for calculating the viscosity of mixture of hydrocarbons over a wide pressure range up to 35 MPa within the stated experimental errors. PMID:26680701

  7. Mass dependence of shear viscosity in a binary fluid mixture: mode-coupling theory.

    PubMed

    Ali, Sk Musharaf; Samanta, Alok; Choudhury, Niharendu; Ghosh, Swapan K

    2006-11-01

    An expression for the shear viscosity of a binary fluid mixture is derived using mode-coupling theory in order to study the mass dependence. The calculated results on shear viscosity for a binary isotopic Lennard-Jones fluid mixture show good agreement with results from molecular dynamics simulation carried out over a wide range of mass ratio at different composition. Also proposed is a new generalized Stokes-Einstein relation connecting the individual diffusivities to shear viscosity. PMID:17279895

  8. Marangoni Effects in the Boiling of Binary Fluid Mixtures

    NASA Technical Reports Server (NTRS)

    Ahmed, Sayeed; Carey, Van P.; Motil, Brian

    1996-01-01

    Results of very recent experimental studies indicate that during nucleate boiling in some binary mixture, Marangoni effects augment the gravity driven flow of liquid towards the heated surface. With gravity present, it is impossible to separate the two effects. The reduced gravity environment gives an unique opportunity to explore th role of Marangoni effects on the boiling mechanisms free of gravitational body forces that obscure the role of such effects. However, recent experimental results suggest that under reduced gravity conditions, Marangoni effects is the dominant mechanism of vapor-liquid exchange at the surface for some binary mixture. To further explore such effects, experiments have been conducted with water/2-propanol mixtures at three different concentrations under normal gravity with different orientations of the heater surface and under reduce gravity aboard the DC-9 aircraft at NASA Lewis Research Center. The system pressure was sub atmospheric (approx. 8 kP at 1g(n)) and the bulk liquid temperature varied from low subcooling to near saturation. The molar concentrations of 2-propanol tested were 0.015, 0.025, and 0.1. Boiling curves were obtained both for high gravity (approx. 2g(n)) and reduce gravity (approx. 0.01g(n)). For each concentration of 2-propanol, the critical heat flux has been determined in the flight experiments only for reduced gravity conditions. Comparison of boiling curves and CHF obtained under l-g(n) an reduced gravity indicates that boiling mechanism in this mixtures is nearly independent of gravity. The results also indicate that the Marangoni mechanism is strong enough in these mixtures to sustain the boiling under reduced gravity conditions.

  9. Drag Coefficient of a Spherical Droplet Immersed in a Near-Critical Binary Fluid Mixture

    NASA Astrophysics Data System (ADS)

    Fujitani, Youhei

    2014-02-01

    We consider a spherical liquid droplet immersed in a near-critical binary fluid mixture. A weak preferential attraction is assumed between the droplet and one of the two mixture components, and the difference in the viscosity is neglected between the mixture components. Using the Gaussian free-energy functional, we calculate the drag coefficient of a droplet. Whether it is increased or decreased by the preferential attraction turns out to depend on the bulk correlation length and the ratio of the viscosity of the surrounding mixture to that of the droplet.

  10. Undergraduate experiment in critical phenomena. II. The coexistence curve of a binary fluid mixture

    NASA Astrophysics Data System (ADS)

    Ngubane, S. B.; Jacobs, D. T.

    1986-06-01

    An undergraduate experiment is described that uses meniscus heights to determine the coexistence curve of a binary fluid mixture. The data can be obtained with a minimum of equipment and yield results that are easily interpreted by the theory also presented. Data taken on the binary liquid mixture methanol-isooctane are presented and analyzed. The critical temperature and composition were found to be (42.5±0.5) °C and (67.3±0.2)% by volume isooctane, respectively.

  11. Correlation and prediction of thermodynamic properties of binary mixtures from perturbed chain statistical associating fluid theory

    NASA Astrophysics Data System (ADS)

    Almasi, Mohammad

    2014-11-01

    Densities and viscosities for binary mixtures of Diethanolamine (DEA) + 2 alkanol (2 propanol up to 2 pentanol) were measured over the entire composition range and temperature interval of 293.15-323.15 K. From the density and viscosity data, values of various properties such as isobaric thermal expansibility, excess isobaric thermal expansibility, partial molar volumes, excess molar volumes and viscosity deviations were calculated. The observed variations of these parameters, with alkanols chain length and temperature, are discussed in terms of the intermolecular interactions between the unlike molecules of the binary mixtures. The ability of the perturbed chain statistical associating fluid theory (PC-SAFT) to correlate accurately the volumetric behavior of the binary mixtures is demonstrated.

  12. Drag Coefficient of a Rigid Spherical Particle in a Near-Critical Binary Fluid Mixture

    NASA Astrophysics Data System (ADS)

    Okamoto, Ryuichi; Fujitani, Youhei; Komura, Shigeyuki

    2013-08-01

    We calculate the drag coefficient of a rigid spherical particle in an incompressible binary fluid mixture. A weak preferential attraction is assumed between the particle surface and one of the fluid components, and the difference in the viscosity between the two components is neglected. Using the Gaussian free-energy functional and solving the hydrodynamic equation explicitly, we can show that the preferential attraction makes the drag coefficient larger as the bulk correlation length becomes longer. The dependence of the deviation from the Stokes law on the correlation length, when it is short, turns out to be much steeper than the previous estimates.

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

    SciTech Connect

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

    2015-05-07

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-05-01

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

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

    PubMed

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

    2015-05-01

    In this work, we have evaluated the applicability of the so-called thermodynamic scaling and the isomorph frame to describe the shear viscosity of Mie n-6 fluids of varying repulsive exponents (n = 8, 12, 18, 24, and 36). Furthermore, the effectiveness of the thermodynamic scaling to deal with binary mixtures of Mie n-6 fluids has been explored as well. To generate the viscosity database of these fluids, extensive non-equilibrium molecular dynamics simulations have been performed for various thermodynamic conditions. Then, a systematic approach has been used to determine the gamma exponent value (γ) characteristic of the thermodynamic scaling approach for each system. In addition, the applicability of the isomorph theory with a density dependent gamma has been confirmed in pure fluids. In both pure fluids and mixtures, it has been found that the thermodynamic scaling with a constant gamma is sufficient to correlate the viscosity data on a large range of thermodynamic conditions covering liquid and supercritical states as long as the density is not too high. Interestingly, it has been obtained that, in pure fluids, the value of γ is directly proportional to the repulsive exponent of the Mie potential. Finally, it has been found that the value of γ in mixtures can be deduced from those of the pure component using a simple logarithmic mixing rule. PMID:25956107

  16. Relaxation rate of the shape fluctuation of a fluid membrane immersed in a near-critical binary fluid mixture.

    PubMed

    Fujitani, Youhei

    2016-03-01

    We consider the two-time correlation of the shape fluctuation of a fluid membrane immersed in a near-critical binary fluid mixture. Usually one component of the mixture is preferably attracted by the membrane. Adsorption layers, where the preferred component is more concentrated, are generated on both sides of the membrane significantly because of the near-criticality. The resultant gradient of the local mass-density difference between the two components generates additional stress, including the osmotic pressure, to influence the membrane motion. Assuming the mixture to be in the homogeneous phase near, but not too close to, the demixing critical point, we use the Gaussian free-energy functional to calculate the relaxation rate for a wavelength much longer than the correlation length of the mixture. Our calculation supposes weak preferential attraction and weak dependence of the mixture viscosity on the mass-density difference, and is performed within the linear approximation with respect to the undulation amplitude. It is shown for small wave number that the additional stress makes the relaxation more rapid independently of whether the preferred component is more viscous or not and that the relaxation rate can be regarded as proportional to the wave number even for a tensionless membrane. This linear dependence comes from the balance between the frictional force due to the mixture viscosity and the restoring force of the adsorption layer. PMID:26993992

  17. Phase behavior in binary fluid mixtures with spherical and non-spherical interactions

    NASA Astrophysics Data System (ADS)

    Diaz-Herrera, Enrique; Ramirez-Santiago, Guillermo; Moreno-Razo, J. Antonio

    2006-03-01

    We have carried out extensive MD simulations to study the T vs. ρ phase diagram and the mix-demix transition in fluid binary mixtures with (1) Lennard-Jones, (2) Stock-Mayer and (3) Gay-Berne molecular interactions. This analysis is performed in terms of the miscibility parameter, α=ɛAB/ɛAA, with ɛAA=ɛBB. When the miscibility of the mixture is in the range 0<α<1, a continuous critical line of consolute points appears. This line interscts the LV coexistence curve at different positions depending on the value of α, yielding mainly three different topologies for the phase diagrams. We also carried out a detailed study of the interfacial properties as function of T and α.

  18. Binary Mixture of Perfect Fluid and Dark Energy in Modified Theory of Gravity

    NASA Astrophysics Data System (ADS)

    Shaikh, A. Y.

    2016-07-01

    A self consistent system of Plane Symmetric gravitational field and a binary mixture of perfect fluid and dark energy in a modified theory of gravity are considered. The gravitational field plays crucial role in the formation of soliton-like solutions, i.e., solutions with limited total energy, spin, and charge. The perfect fluid is taken to be the one obeying the usual equation of state, i.e., p = γρ with γ∈ [0, 1] whereas, the dark energy is considered to be either the quintessence like equation of state or Chaplygin gas. The exact solutions to the corresponding field equations are obtained for power-law and exponential volumetric expansion. The geometrical and physical parameters for both the models are studied.

  19. Suppression of turbulent energy cascade due to phase separation in homogenous binary mixture fluid

    NASA Astrophysics Data System (ADS)

    Takagi, Youhei; Okamoto, Sachiya

    2015-11-01

    When a multi-component fluid mixture becomes themophysically unstable state by quenching from well-melting condition, phase separation due to spinodal decomposition occurs, and a self-organized structure is formed. During phase separation, free energy is consumed for the structure formation. In our previous report, the phase separation in homogenous turbulence was numerically simulated and the coarsening process of phase separation was discussed. In this study, we extended our numerical model to a high Schmidt number fluid corresponding to actual polymer solution. The governing equations were continuity, Navier-Stokes, and Chan-Hiliard equations as same as our previous report. The flow filed was an isotropic homogenous turbulence, and the dimensionless parameters in the Chan-Hilliard equation were estimated based on the thermophysical condition of binary mixture. From the numerical results, it was found that turbulent energy cascade was drastically suppressed in the inertial subrange by phase separation for the high Schmidt number flow. By using the identification of turbulent and phase separation structure, we discussed the relation between total energy balance and the structures formation processes. This study is financially supported by the Grand-in-Aid for Young Scientists (B) (No. T26820045) from the Ministry of Education, Cul-ture, Sports, Science and Technology of Japan.

  20. Physical and computational scaling issues in lattice Boltzmann simulations of binary fluid mixtures.

    PubMed

    Cates, M E; Desplat, J-C; Stansell, P; Wagner, A J; Stratford, K; Adhikari, R; Pagonabarraga, I

    2005-08-15

    We describe some scaling issues that arise when using lattice Boltzmann (LB) methods to simulate binary fluid mixtures--both in the presence and absence of colloidal particles. Two types of scaling problem arise: physical and computational. Physical scaling concerns how to relate simulation parameters to those of the real world. To do this effectively requires careful physics, because (in common with other methods) LB cannot fully resolve the hierarchy of length, energy and time-scales that arise in typical flows of complex fluids. Care is needed in deciding what physics to resolve and what to leave unresolved, particularly when colloidal particles are present in one or both of two fluid phases. This influences steering of simulation parameters such as fluid viscosity and interfacial tension. When the physics is anisotropic (for example, in systems under shear) careful adaptation of the geometry of the simulation box may be needed; an example of this, relating to our study of the effect of colloidal particles on the Rayleigh-Plateau instability of a fluid cylinder, is described. The second and closely related set of scaling issues are computational in nature: how do you scale-up simulations to very large lattice sizes? The problem is acute for systems undergoing shear flow. Here one requires a set of blockwise co-moving frames to the fluid, each connected to the next by a Lees-Edwards like boundary condition. These matching planes lead to small numerical errors whose cumulative effects can become severe; strategies for minimizing such effects are discussed. PMID:16099757

  1. Effective Viscosity of a Near-Critical Binary Fluid Mixture with Colloidal Particles Dispersed Dilutely under Weak Shear

    NASA Astrophysics Data System (ADS)

    Fujitani, Youhei

    2014-08-01

    We consider a spherical liquid droplet immersed in a near-critical binary fluid mixture whose components interact with the droplet slightly unequally. Assuming uniform viscosity of the mixture, we use the Gaussian free-energy functional to calculate the pressure and velocity fields occurring when a weak linear shear flow is imposed far from the droplet. These fields in the limit of infinite droplet viscosity give those for a rigid sphere. Using these fields, we calculate the effective viscosity emerging when identical droplets or rigid spheres are dilutely dispersed in the mixture.

  2. Bifurcation and Stability of the Traveling-Wave Convection in a Binary Fluid Mixture

    NASA Astrophysics Data System (ADS)

    Yahata, Hideo

    2002-08-01

    The Rayleigh-Bénard convection of a binary fluid mixture in a horizontal layer is considered for a moderate negative value of the separation ratio S for which the spatio-temporal structure of fully-developed periodic convection rolls is known to take either the stationary overturning convection (SOC) or the traveling-wave (TW) convection state depending on the values of the Rayleigh number. Numerical solutions for the SOC and the TW states are computed using the 2D MAC and the 2D spectral simulations of the governing equations of motion in the finite difference and the Galerkin form respectively. In addition to these, a method for finding their solutions as the steady-state problem of the Galerkin system using the Newton iterative method is presented and the computed results are compared with those obtained previously by others. Linear stability analysis of the linearized dynamical system shows that the transition between the SOC and TW states is involved by the real-mode instability.

  3. Flow of a binary mixture of linearly incompressible viscous fluids between two horizontal parallel plates

    SciTech Connect

    Massoudi, M.

    2008-01-01

    In this paper, we use the classical Mixture Theory and present exact solutions to the equations of motion for the steady flow of two linearly viscous fluids between two horizontal plates. We show that for a saturated mixture and under very special conditions, namely when the body forces are assumed negligible, the only interaction force is due to relative velocity (drag force), and if the two velocities are assumed to be related to each other in a linear fashion, then it is possible to integrate the coupled ordinary differential equations and obtain analytical expressions for the velocities and the volume fraction.

  4. Flow of a binary mixture of linearly incompressible viscous fluids between two horizontal parallel plates

    SciTech Connect

    Massoudi, Mehrdad

    2008-12-01

    In this paper, we use the classical Mixture Theory and present exact solutions to the equations of motion for the steady flow of two linearly viscous fluids between two horizontal plates. We show that for a saturated mixture and under very special conditions, namely when the body forces are assumed negligible, the only interaction force is due to relative velocity (drag force), and if the two velocities are assumed to be related to each other in a linear fashion, then it is possible to integrate the coupled ordinary differential equations and obtain analytical expressions for the velocities and the volume fraction.

  5. Monte Carlo cluster algorithm for fluid phase transitions in highly size-asymmetrical binary mixtures

    NASA Astrophysics Data System (ADS)

    Ashton, Douglas J.; Liu, Jiwen; Luijten, Erik; Wilding, Nigel B.

    2010-11-01

    Highly size-asymmetrical fluid mixtures arise in a variety of physical contexts, notably in suspensions of colloidal particles to which much smaller particles have been added in the form of polymers or nanoparticles. Conventional schemes for simulating models of such systems are hamstrung by the difficulty of relaxing the large species in the presence of the small one. Here we describe how the rejection-free geometrical cluster algorithm of Liu and Luijten [J. Liu and E. Luijten, Phys. Rev. Lett. 92, 035504 (2004)] can be embedded within a restricted Gibbs ensemble to facilitate efficient and accurate studies of fluid phase behavior of highly size-asymmetrical mixtures. After providing a detailed description of the algorithm, we summarize the bespoke analysis techniques of [Ashton et al., J. Chem. Phys. 132, 074111 (2010)] that permit accurate estimates of coexisting densities and critical-point parameters. We apply our methods to study the liquid-vapor phase diagram of a particular mixture of Lennard-Jones particles having a 10:1 size ratio. As the reservoir volume fraction of small particles is increased in the range of 0%-5%, the critical temperature decreases by approximately 50%, while the critical density drops by some 30%. These trends imply that in our system, adding small particles decreases the net attraction between large particles, a situation that contrasts with hard-sphere mixtures where an attractive depletion force occurs.

  6. Phase-field model of long-time glasslike relaxation in binary fluid mixtures.

    PubMed

    Benzi, R; Sbragaglia, M; Bernaschi, M; Succi, S

    2011-04-22

    We present a new phase-field model for binary fluids, exhibiting typical signatures of soft-glassy behavior, such as long-time relaxation, aging, and long-term dynamical arrest. The present model allows the cost of building an interface to vanish locally within the interface, while preserving positivity of the overall surface tension. A crucial consequence of this property, which we prove analytically, is the emergence of free-energy minimizing density configurations, hereafter named "compactons," to denote their property of being localized to a finite-size region of space and strictly zero elsewhere (no tails). Thanks to compactness, any arbitrary superposition of compactons still is a free-energy minimizer, which provides a direct link between the complexity of the free-energy landscape and the morphological complexity of configurational space. PMID:21599369

  7. Evaporation dynamics of non-spherical sessile drops of pure fluids and binary mixtures

    NASA Astrophysics Data System (ADS)

    Saenz, Pedro J.; Matar, Omar K.; Sefiane, Khellil; Valluri, Prashant; Kim, Jungho

    2015-11-01

    The dynamics of pure axisymmetric volatile sessile droplets have been meticulously examined over the last four decades but remain poorly understood. Studies focusing on more realistic non-spherical configurations are virtually non-existent. The dynamics of the latter are examined in this investigation by means of experiments and numerical simulations. We show that the lifetime and bulk flow characteristics of these drops depend on their size and shape. The irregular geometries lead to the emergence preferential convection currents in the liquid as well as differential local evaporation rates noticeable along the contact line. Similarly, we inspect the thermocapillary stability of the flow, which results as the liquid volatility increases, and find that this is also affected by the non-uniform wettability along the triple line. The Marangoni-driven instabilities grow in an intricate spatio-temporal fashion leading to the emergence of different flow regimes. Finally, we also provide new insights into the evaporation process of binary-mixture drops. Memphis Multiphase (EPSRC EP/K003976/1) & ThermaPOWER (EU IRSES-PIRSES GA-2011-294905).

  8. Marangoni Effects on Near-Bubble Microscale Transport During Boiling of Binary Fluid Mixtures

    NASA Technical Reports Server (NTRS)

    V. Carey; Sun, C.; Carey, V. P.

    2000-01-01

    In earlier investigations, Marangoni effects were observed to be the dominant mechanism of boiling transport in 2-propanol/water mixtures under reduced gravity conditions. In this investigation we have examined the mechanisms of binary mixture boiling by exploring the transport near a single bubble generated in a binary mixture between a heated surface and cold surface. The temperature field created in the liquid around the bubble produces vaporization over the portion of its interface near the heated surface and condensation over portions of its interface near the cold surface. Experiments were conducted using different mixtures of water and 2-propanol under 1g conditions and under reduced gravity conditions aboard the KC135 aircraft. Since 2-propanol is more volatile than water, there is a lower concentration of 2-propanol near the hot surface and a higher concentration of 2-propanol near the cold plate relative to the bulk quantity. This difference in interface concentration gives rise to strong Marangoni effects that move liquid toward the hot plate in the near bubble region for 2-propanol and water mixtures. In the experiments in this study, the pressure of the test system was maintained at about 5 kPa to achieve the full spectrum of boiling behavior (nucleate boiling, critical heat flux and film boiling) at low temperature and heat flux levels. Heat transfer data and visual documentation of the bubble shape were extracted from the experimental results. In the 1-g experiments at moderate to high heat flux levels, the bubble was observed to grow into a mushroom shape with a larger top portion near the cold plate due to the buoyancy effect. The shape of the bubble was somewhat affected by the cold plate subcooling and the superheat of the heated surface. At low superheat levels for the heated surface, several active nucleation sites were observed, and the vapor stems from them merged to form a larger bubble. The generation rate of vapor is moderate in this

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

    NASA Astrophysics Data System (ADS)

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

    2012-12-01

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

  10. A Validated All-Pressure Fluid Drop Model and Lewis Number Effects for a Binary Mixture

    NASA Technical Reports Server (NTRS)

    Harstad, K.; Bellan, J.

    1999-01-01

    The differences between subcritical liquid drop and supercritical fluid drop behavior are discussed. Under subcritical, evaporative high emission rate conditions, a film layer is present in the inner part of the drop surface which contributes to the unique determination of the boundary conditions; it is this film layer which contributes to the solution's convective-diffusive character. In contrast, under supercritical condition as the boundary conditions contain a degree of arbitrariness due to the absence of a surface, and the solution has then a purely diffusive character. Results from simulations of a free fluid drop under no-gravity conditions are compared to microgravity experimental data from suspended, large drop experiments at high, low and intermediary temperatures and in a range of pressures encompassing the sub-and supercritical regime. Despite the difference between the conditions of the simulations and experiments (suspension vs. free floating), the time rate of variation of the drop diameter square is remarkably well predicted in the linear curve regime. The drop diameter is determined in the simulations from the location of the maximum density gradient, and agrees well with the data. It is also shown that the classical calculation of the Lewis number gives qualitatively erroneous results at supercritical conditions, but that an effective Lewis number previously defined gives qualitatively correct estimates of the length scales for heat and mass transfer at all pressures.

  11. Fluctuation Amplitude of a Trapped Rigid Sphere Immersed in a Near-Critical Binary Fluid Mixture within the Regime of the Gaussian Model

    NASA Astrophysics Data System (ADS)

    Fujitani, Youhei

    2016-04-01

    The position of a colloidal particle trapped in an external field thermally fluctuates at equilibrium. As is well known, the ambient fluid is not a simple heat bath and the particle mass appears to increase, which influences the mean square velocity of the particle. In this study, we suppose that the particle is surrounded by a binary fluid mixture in the homogeneous phase near, but not too close to, the critical point. Usually, one component is preferably attracted by the particle surface, and the resultant adsorption layer becomes significant because of the near-criticality. When the particle fluctuates in this situation, its mean square displacement should also be influenced by the ambient fluid because the adsorption layer does not follow the particle motion totally. We calculate the influence in a simple case, where a rigid spherical particle fluctuates with a small amplitude and its surface attracts one component weakly. We utilize the hydrodynamics in the limit of no dissipation to examine the contribution from the ambient mixture to the equal-time correlation. According to our result, the mean square displacement is reduced by an additional stress, including osmotic pressure.

  12. The isotropic-nematic and nematic-nematic phase transition of binary mixtures of tangent hard-sphere chain fluids: An analytical equation of state

    NASA Astrophysics Data System (ADS)

    van Westen, Thijs; Vlugt, Thijs J. H.; Gross, Joachim

    2014-01-01

    An analytical equation of state (EoS) is derived to describe the isotropic (I) and nematic (N) phase of linear- and partially flexible tangent hard-sphere chain fluids and their mixtures. The EoS is based on an extension of Onsager's second virial theory that was developed in our previous work [T. van Westen, B. Oyarzún, T. J. H. Vlugt, and J. Gross, J. Chem. Phys. 139, 034505 (2013)]. Higher virial coefficients are calculated using a Vega-Lago rescaling procedure, which is hereby generalized to mixtures. The EoS is used to study (1) the effect of length bidispersity on the I-N and N-N phase behavior of binary linear tangent hard-sphere chain fluid mixtures, (2) the effect of partial molecular flexibility on the binary phase diagram, and (3) the solubility of hard-sphere solutes in I- and N tangent hard-sphere chain fluids. By changing the length bidispersity, two types of phase diagrams were found. The first type is characterized by an I-N region at low pressure and a N-N demixed region at higher pressure that starts from an I-N-N triphase equilibrium. The second type does not show the I-N-N equilibrium. Instead, the N-N region starts from a lower critical point at a pressure above the I-N region. The results for the I-N region are in excellent agreement with the results from molecular simulations. It is shown that the N-N demixing is driven both by orientational and configurational/excluded volume entropy. By making the chains partially flexible, it is shown that the driving force resulting from the configurational entropy is reduced (due to a less anisotropic pair-excluded volume), resulting in a shift of the N-N demixed region to higher pressure. Compared to linear chains, no topological differences in the phase diagram were found. We show that the solubility of hard-sphere solutes decreases across the I-N phase transition. Furthermore, it is shown that by using a liquid crystal mixture as the solvent, the solubility difference can by maximized by tuning the

  13. Spinodal decomposition in binary mixtures

    NASA Astrophysics Data System (ADS)

    Mauri, Roberto; Shinnar, Reuel; Triantafyllou, George

    1996-03-01

    We study the early stage of the phase separation of a binary mixture far from its critical point of demixing. Whenever the mixture of two mutually repulsive species is quenched to a temperature below its critical point of miscibility, the effect of the enthalpic repulsive force prevails upon the entropic tendency to mix, so that the system eventually separates itno two coexisting phases. We have developed a highly nonlinear model, in close analogy with the linear theory of Cahn and Hilliard, where a generalized free energy is defined in terms of two parameters ψ and a, the first describing the equilibrium composition of the two phases, ad the second denoting a characteristic length scale that is inversely proportional to the equilibrium surface tension. The linear stability analysis predicts that any perturbation of the initial mixture composition with wave number k smaller than √2ψ /a will grow exponentially in time, with a maximum growth corresponding to kmax= √ψ /a. A numerical solution of the equation shows that nonlinear effects saturate the exponential growth, and that the concentraiton distribution tends to a steady state, peroidic profile with wavelength λ=2πa/ √ψ corresponding to the fastest growing mode of the linear regime. The main result of our theoretical model is that this steady state does not depend on the form of the initial perturbation to the homogeneous composition profile.

  14. Thermophysical Properties of Fluids and Fluid Mixtures

    SciTech Connect

    Sengers, Jan V.; Anisimov, Mikhail A.

    2004-05-03

    The major goal of the project was to study the effect of critical fluctuations on the thermophysical properties and phase behavior of fluids and fluid mixtures. Long-range fluctuations appear because of the presence of critical phase transitions. A global theory of critical fluctuations was developed and applied to represent thermodynamic properties and transport properties of molecular fluids and fluid mixtures. In the second phase of the project, the theory was extended to deal with critical fluctuations in complex fluids such as polymer solutions and electrolyte solutions. The theoretical predictions have been confirmed by computer simulations and by light-scattering experiments. Fluctuations in fluids in nonequilibrium states have also been investigated.

  15. Solidification phenomena of binary organic mixtures

    NASA Technical Reports Server (NTRS)

    Chang, K.

    1982-01-01

    The coalescence rates and motion of liquid bubbles in binary organic mixtures were studied. Several factors such as temperature gradient, composition gradient, interfacial tension, and densities of the two phases play important roles in separation of phases of immiscible liquids. An attempt was made to study the effect of initial compositions on separation rates of well-dispersed organic mixtures at different temperatures and, ultimately, on the homogeneity of solidification of the immiscible binary organic liquids. These organic mixtures serve as models for metallic pseudo binary systems under study. Two specific systems were investigated: ethyl salicylate - diethyl glycol and succinonitrile - water.

  16. Mutual diffusion in a binary isotopic mixture.

    PubMed

    Sharma, Raman; Tankeshwar, K

    2010-11-17

    The mass dependence of the mutual diffusion coefficient, in a binary equimolar mixture of Lennard-Jones fluids, is studied within Mori's memory function formalism. A phenomenological form of the memory function is used to study the time evolution of the self- and relative velocity correlation functions. The diffusion coefficients are calculated from the relevant velocity correlation functions using the Green-Kubo integral formula. Like the self-diffusion coefficient, the mutual diffusion coefficient is also found to be weakly dependent on the mass ratio. The present study shows that the minimum value that the mutual diffusion coefficient in an equimolar mixture of isotopic fluids can have is √(1/2) times the self-diffusion coefficient of any of the species when in isolation. Further, the contribution of the dynamic/distinct cross correlations to the mutual diffusion coefficient is found to be small and positive for the whole range of the mass ratio which is consistent with earlier molecular dynamics results. PMID:21339621

  17. SEPARATION OF FLUID MIXTURES

    DOEpatents

    Lipscomb, R.; Craig, A.; Labrow, S.; Dunn, J.F.

    1958-10-28

    An apparatus is presented for separating gaseous mixtures by selectively freezing a constituent of the mixture and subsequently separating the frozen gas. The gas mixture is passed through a cylinder fltted with a cooling jacket, causing one gas to freeze on the walls of the cylinder. A set of scraper blades are provided in the interior of the cyllnder, and as the blades oscillate, the frozen gas is scraped to the bottom of the cylinder. Means are provided for the frozen material to pass into a heating chamber where it is vaporized and the product gas collected.

  18. Two-fluid theory and thermodynamic properties of liquid mixtures: General theory

    PubMed Central

    Brandani, V.; Prausnitz, J. M.

    1982-01-01

    The two-fluid theory of binary mixtures postulates that the extensive thermodynamic properties of a binary mixture may be expressed by the contributions of two hypothetical fluids that mix ideally. This postulate, coupled with an expression for the partition function of the hypothetical fluid, permits evaluation of the properties of binary liquid mixtures by using only two adjustable binary parameters. Particular attention is given to the problem of nonrandomness in mixtures. A quantitative description of nonrandomness is achieved by combining the two-fluid concept with a hypothesis for ensemble averaging of a distribution of nearest-neighbor pairs. PMID:16593213

  19. Two-fluid theory and thermodynamic properties of liquid mixtures. Application to hard-sphere mixtures

    PubMed Central

    Brandani, V.; Prausnitz, J. M.

    1982-01-01

    This paper is the second of three describing a two-fluid theory of binary liquid mixtures. The general theory presented in the preceding paper is used to derive a model for calculating thermodynamic properties of hard-sphere mixtures. Calculations indicate that desirable boundary conditions are satisfied. PMID:16593220

  20. Spinodal decomposition of chemically reactive binary mixtures.

    PubMed

    Lamorgese, A; Mauri, R

    2016-08-01

    We simulate the influence of a reversible isomerization reaction on the phase segregation process occurring after spinodal decomposition of a deeply quenched regular binary mixture, restricting attention to systems wherein material transport occurs solely by diffusion. Our theoretical approach follows a diffuse-interface model of partially miscible binary mixtures wherein the coupling between reaction and diffusion is addressed within the frame of nonequilibrium thermodynamics, leading to a linear dependence of the reaction rate on the chemical affinity. Ultimately, the rate for an elementary reaction depends on the local part of the chemical potential difference since reaction is an inherently local phenomenon. Based on two-dimensional simulation results, we express the competition between segregation and reaction as a function of the Damköhler number. For a phase-separating mixture with components having different physical properties, a skewed phase diagram leads, at large times, to a system converging to a single-phase equilibrium state, corresponding to the absolute minimum of the Gibbs free energy. This conclusion continues to hold for the critical phase separation of an ideally perfectly symmetric binary mixture, where the choice of final equilibrium state at large times depends on the initial mean concentration being slightly larger or less than the critical concentration. PMID:27627358

  1. Spinodal decomposition of chemically reactive binary mixtures

    NASA Astrophysics Data System (ADS)

    Lamorgese, A.; Mauri, R.

    2016-08-01

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

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

    NASA Astrophysics Data System (ADS)

    Stiegler, Thomas; Sadus, Richard J.

    2015-02-01

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

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

    SciTech Connect

    Stiegler, Thomas; Sadus, Richard J.

    2015-02-28

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

  4. Instability of a solidifying binary mixture

    NASA Technical Reports Server (NTRS)

    Antar, B. N.

    1982-01-01

    An analysis is performed on the stability of a solidifying binary mixture due to surface tension variation of the free liquid surface. The basic state solution is obtained numerically as a nonstationary function of time. Due to the time dependence of the basic state, the stability analysis is of the global type which utilizes a variational technique. Also due to the fact that the basic state is a complex function of both space and time, the stability analysis is performed through numerical means.

  5. Nonequilibrium critical Casimir effect in binary fluids.

    PubMed

    Furukawa, Akira; Gambassi, Andrea; Dietrich, Siegfried; Tanaka, Hajime

    2013-08-01

    Colloids immersed in a critical binary liquid mixture are subject to critical Casimir forces (CCFs) because they confine its concentration fluctuations and influence the latter via effective surface fields. To date, CCFs have been primarily studied in thermodynamic equilibrium. However, due to the critical slowing down, the order parameter around a particle can easily be perturbed by any motion of the colloid or by solvent flow. This leads to significant but largely unexplored changes in the CCF. Here we study the drag force on a single colloidal particle moving in a near-critical fluid mixture and the relative motion of two colloids due to the CCF acting on them. In order to account for the kinetic couplings among the order parameter field, the solvent velocity field, and the particle motion, we use a fluid particle dynamics method. These studies extend the understanding of CCFs from thermal equilibrium to nonequilibrium processes, which are relevant to current experiments, and show the emergence of significant effects near the critical point. PMID:23952419

  6. Ultracentrifuge for separating fluid mixtures

    DOEpatents

    Lowry, Ralph A.

    1976-01-01

    1. A centrifuge for the separation of fluid mixtures having light and heavy fractions comprising a cylindrical rotor, disc type end-plugs closing the ends of the rotor, means for mounting said rotor for rotation about its cylindrical axis, a housing member enclosing the rotor, a vacuum chamber in said housing about the central portion of the rotor, a collection chamber at each end of the housing, the innermost side of which is substantially formed by the outer face of the end-plug, means for preventing flow of the fluid from the collection chambers to said vacuum chamber, at least one of said end-plugs having a plurality of holes therethrough communicating between the collection chamber adjacent thereto and the inside of the rotor to induce countercurrent flow of the fluid in the centrifuge, means for feeding fluid to be processed into the centrifuge, means communicating with the collection chambers to extract the light and heavy separated fractions of the fluid, and means for rotating the rotor.

  7. Pycnonuclear reaction rates for binary ionic mixtures

    NASA Technical Reports Server (NTRS)

    Ichimaru, S.; Ogata, S.; Van Horn, H. M.

    1992-01-01

    Through a combination of compositional scaling arguments and examinations of Monte Carlo simulation results for the interparticle separations in binary-ionic mixture (BIM) solids, we have derived parameterized expressions for the BIM pycnonuclear rates as generalizations of those in one-component solids obtained previously by Salpeter and Van Horn and by Ogata et al. We have thereby discovered a catalyzing effect of the heavier elements, which enhances the rates of reactions among the lighter elements when the charge ratio exceeds a critical value of approximately 2.3.

  8. Excess compressibility in binary liquid mixtures.

    PubMed

    Aliotta, F; Gapiński, J; Pochylski, M; Ponterio, R C; Saija, F; Salvato, G

    2007-06-14

    Brillouin scattering experiments have been carried out on some mixtures of molecular liquids. From the measurement of the hypersonic velocities we have evaluated the adiabatic compressibility as a function of the volume fraction. We show how the quadratic form of the excess compressibility dependence on the solute volume fraction can be derived by simple statistical effects and does not imply any interaction among the components of the system other than excluded volume effects. This idea is supported by the comparison of the experimental results with a well-established prototype model, consisting of a binary mixture of hard spheres with a nonadditive interaction potential. This naive model turns out to be able to produce a very wide spectrum of structural and thermodynamic features depending on values of its parameters. An attempt has made to understand what kind of structural information can be gained through the analysis of the volume fraction dependence of the compressibility. PMID:17581064

  9. Dynamic thermodiffusion model for binary liquid mixtures.

    PubMed

    Eslamian, Morteza; Saghir, M Ziad

    2009-07-01

    Following the nonequilibrium thermodynamics approach, we develop a dynamic model to emulate thermo-diffusion process and propose expressions for estimating the thermal diffusion factor in binary nonassociating liquid mixtures. Here, we correlate the net heat of transport in thermodiffusion with parameters, such as the mixture temperature and pressure, the size and shape of the molecules, and mobility of the components, because the molecules have to become activated before they can move. Based on this interpretation, the net heat of transport of each component can be somehow related to the viscosity and the activation energy of viscous flow of the same component defined in Eyring's reaction-rate theory [S. Glasstone, K. J. Laidler, and H. Eyring, (McGraw-Hill, New York, 1941)]. This modeling approach is different from that of Haase and Kempers, in which thermodiffusion is considered as a function of the thermostatic properties of the mixture such as enthalpy. In simulating thermodiffusion, by correlating the net heat of transport with the activation energy of viscous flow, effects of the above mentioned parameters are accounted for, to some extent of course. The model developed here along with Haase-Kempers and Drickamer-Firoozabadi models linked with the Peng-Robinson equation of sate are evaluated against the experimental data for several recent nonassociating binary mixtures at various temperatures, pressures, and concentrations. Although the model prediction is still not perfect, the model is simple and easy to use, physically justified, and predicts the experimental data very good and much better than the existing models. PMID:19658691

  10. Dynamic thermodiffusion model for binary liquid mixtures

    NASA Astrophysics Data System (ADS)

    Eslamian, Morteza; Saghir, M. Ziad

    2009-07-01

    Following the nonequilibrium thermodynamics approach, we develop a dynamic model to emulate thermo-diffusion process and propose expressions for estimating the thermal diffusion factor in binary nonassociating liquid mixtures. Here, we correlate the net heat of transport in thermodiffusion with parameters, such as the mixture temperature and pressure, the size and shape of the molecules, and mobility of the components, because the molecules have to become activated before they can move. Based on this interpretation, the net heat of transport of each component can be somehow related to the viscosity and the activation energy of viscous flow of the same component defined in Eyring’s reaction-rate theory [S. Glasstone, K. J. Laidler, and H. Eyring, The Theory of Rate Processes: The Kinetics of Chemical Reactions, Viscosity, Diffusion and Electrochemical Phenomena (McGraw-Hill, New York, 1941)]. This modeling approach is different from that of Haase and Kempers, in which thermodiffusion is considered as a function of the thermostatic properties of the mixture such as enthalpy. In simulating thermodiffusion, by correlating the net heat of transport with the activation energy of viscous flow, effects of the above mentioned parameters are accounted for, to some extent of course. The model developed here along with Haase-Kempers and Drickamer-Firoozabadi models linked with the Peng-Robinson equation of sate are evaluated against the experimental data for several recent nonassociating binary mixtures at various temperatures, pressures, and concentrations. Although the model prediction is still not perfect, the model is simple and easy to use, physically justified, and predicts the experimental data very good and much better than the existing models.

  11. Dielectric constant of fluids and fluid mixtures at criticality.

    PubMed

    Losada-Pérez, Patricia; Pérez-Sánchez, Germán; Cerdeiriña, Claudio A; Thoen, Jan

    2010-04-01

    The behavior of the dielectric constant epsilon of pure fluids and binary mixtures near liquid-gas and liquid-liquid critical points is studied within the concept of complete scaling of asymmetric fluid-fluid criticality. While mixing of the electric field into the scaling fields plays a role, pressure mixing is crucial as the asymptotic behavior of the coexistence-curve diameter in the epsilon-T plane is concerned. Specifically, it is found that the diameters, characterized by a |T-Tc|1-alpha singularity in the previous scaling formulation [J. V. Sengers, D. Bedeaux, P. Mazur, and S. C. Greer, Physica A 104, 573 (1980)], gain a more dominant |T-Tc|2beta term, whose existence is shown to be supported by literature experimental data. The widely known |T-Tc|1-alpha singularity of epsilon along the critical isopleth in the one-phase region is found to provide information on the effect of electric fields on the liquid-liquid critical temperature: from experimental data it is inferred that Tc usually decreases as the magnitude of the electric field is enhanced. Furthermore, the behavior of mixtures along an isothermal path of approach to criticality is also analyzed: theory explains why the observed anomalies are remarkably higher than those associated to the usual isobaric path. PMID:20481691

  12. ThermoData Engine Database - Pure Compounds and Binary Mixtures

    National Institute of Standards and Technology Data Gateway

    SRD 103b NIST ThermoData Engine Version 6.0 - Pure CompoThermoData Engine Database - Pure Compounds and Binary Mixtures (PC database for purchase)   This database contains property data for more than 21,000 pure compounds, 37,500 binary mixtures, 10,000 ternary mixtures, and 6,000 chemical reactions.

  13. Evaporation of binary mixtures in microgravity

    NASA Technical Reports Server (NTRS)

    Girgis, Morris; Matta, Nabil; Kolli, Kiran; Brown, Leon; Chubb, Kevin

    1995-01-01

    The motivation of this research is to obtain a better understanding of phase-change heat transfer within single and binary liquid meniscii, both in 1-g and 0-g environments. During phase 1 and part of phase 2, in a glass test cell with an inclined heated plate, 1-6 experiments on pentane with additions of decane up to 3% were conducted to determine the optimum concentration that will exhibit the maximum heat transfer and stability. During phase 2 emphasis was given to explore fundamental research issues and to ultimately develop a reliable capillary pumped loop (CPL) device for low gravity. In related experimental work, it was found that thermocapillary stresses near the contract line could result in a degraded wettability which ultimately could explain the observed failure of CPL devices in zero-gravity environment. Therefore, the current experimental effort investigates the effect of adding binary constituents in improving the thermocapillary characteristics near the contact line within the loop configuration. Achievements during second phase include: (1) Further enhancement of Central State University's Microgravity Laboratory by adding or improving upon capabilities of photography, video imaging, fluid visualization, and general experimental testing capabilities; (2) Experimental results for the inclined plate cell; (3) Modeling effort with a detailed scaling analysis; (4) Additional testing with a tube loop configuration to extend experimental work by Dickens, et al.; (5) Fabrication of a capillary loop to be tested using binary fluid (pentane/decane). The device that has been recently completed will be set up horizontally so that the effect of gravity on the performance is negligible. Testing will cover a wide range of parameters such as decane/pentane concentration, heat input value, heat input location (below or above meniscus), and loop temperature.

  14. Fluid Latent Heat Storage Material Using Ethanol Water Mixture

    NASA Astrophysics Data System (ADS)

    Ohkubo, Hidetoshi; Yasunari, Yuki

    Ethanol water mixture has a liquidus line ( or crystallizing line) and a solidus line (or melting line) that are separated, and therefore it can have both liquid and solid phases existing together. With advances in low temperature technology in recent days, ethanol water mixture is attaching more and more attention as an environment-friendly coolant or as a thermal storage material. In the present study, we observed the crystallization process in the mixture and carried out experiments to evaluate fluidity of the mixture, with the objective of utilizing an ethanol water mixture as a coolant or a thermal energy storage material. Crystal formation and growing process within a minute droplet of a binary mixture was modeled. As a result, we found a novel method to produce a fluid latent heat storage material continuously and an apparent coefficient of viscosity show that rotational speed and solid phase fraction have a strong effect on the fluidity of the mixture.

  15. Permeation of chemical protective clothing by three binary solvent mixtures

    SciTech Connect

    Mickelsen, R.L.; Roder, M.M.; Berardinelli, S.P.

    1986-04-01

    An evaluation of glove materials against three different binary chemical mixtures selected from common industrial solvents was conducted. Changes in breakthrough time and permeation rate of the mixture components were evaluated as a function of the mixture composition. An increase in employee risk resulting from early mixture breakthrough time and enhanced mixture permeation rate over that of the pure chemicals was demonstrated. The permeation of a binary mixture through chemical protective clothing could not be predicted by the permeation results of the pure components. It is recommended that chemical protective clothing be tested for its permeation characteristics with the use of the chemical mixtures and conditions that reflect the work site exposure.

  16. Low velocity ion stopping in binary ionic mixtures

    SciTech Connect

    Tashev, Bekbolat; Baimbetov, Fazylkhan; Deutsch, Claude; Fromy, Patrice

    2008-10-15

    Attention is focused on the low ion velocity stopping mechanisms in multicomponent and dense target plasmas built of quasiclassical electron fluids neutralizing binary ionic mixtures, such as, deuterium-tritium of current fusion interest, proton-heliumlike iron in the solar interior or proton-helium ions considered in planetology, as well as other mixtures of fiducial concern in the heavy ion beam production of warm dense matter at Bragg peak conditions. The target plasma is taken in a multicomponent dielectric formulation a la Fried-Conte. The occurrence of projectile ion velocities (so-called critical) for which target electron slowing down equals that of given target ion components is also considered. The corresponding multiquadrature computations, albeit rather heavy, can be monitored analytical through a very compact code operating a PC cluster. Slowing down results are systematically scanned with respect to target temperature and electron density, as well as ion composition.

  17. Critical Lines in Binary Mixtures of Components with Multiple Critical Points

    NASA Astrophysics Data System (ADS)

    Artemenko, Sergey; Lozovsky, Taras; Mazur, Victor

    The principal aim of this work is a comprehensive analysis of the fluid phase behavior of binary fluid mixtures via the van der Waals like equation of state (EoS) which has a multiplicity of critical points in metastable region. We test the modified van der Waals equation of state (MVDW) proposed by Skibinski et al. (2004) which displays a complex phase behavior including three critical points and identifies four fluid phases (gas, low density liquid (LDL), high density liquid (HDL), and very high density liquid (VHDL)). An improvement of repulsive part doesn't change a topological picture of phase behavior in the wide range of thermodynamic variables. The van der Waals attractive interaction and excluded volume for mixture are calculated from classical mixing rules. Critical lines in binary mixtures of type III of phase behavior in which the components exhibit polyamorphism are calculated and a continuity of fluid-fluid critical line at high pressure is observed.

  18. Molecular Dynamics Simulation of Binary Fluid in a Nanochannel

    SciTech Connect

    Mullick, Shanta; Ahluwalia, P. K.; Pathania, Y.

    2011-12-12

    This paper presents the results from a molecular dynamics simulation of binary fluid (mixture of argon and krypton) in the nanochannel flow. The computational software LAMMPS is used for carrying out the molecular dynamics simulations. Binary fluids of argon and krypton with varying concentration of atom species were taken for two densities 0.65 and 0.45. The fluid flow takes place between two parallel plates and is bounded by horizontal walls in one direction and periodic boundary conditions are imposed in the other two directions. To drive the flow, a constant force is applied in one direction. Each fluid atom interacts with other fluid atoms and wall atoms through Week-Chandler-Anderson (WCA) potential. The velocity profile has been looked at for three nanochannel widths i.e for 12{sigma}, 14{sigma} and 16{sigma} and also for the different concentration of two species. The velocity profile of the binary fluid predicted by the simulations agrees with the quadratic shape of the analytical solution of a Poiseuille flow in continuum theory.

  19. Instability in evaporative binary mixtures. I. The effect of solutal Marangoni convection

    NASA Astrophysics Data System (ADS)

    Uguz, K. E.; Narayanan, R.

    2012-09-01

    The instability of an evaporating binary mixture underlying its own vapor in an enclosed container is investigated. The fluid dynamics of both liquid and vapor phases, in the absence of gravity, are taken into account as also a deflecting interface. It is concluded from calculations, exemplified by a low weight alcohol mixture, that unlike single component systems a non-dilute binary mixture can become unstable only when it is heated from the vapor side. This instability is caused by solutal Marangoni convection that is triggered in the presence of phase change.

  20. Thermodiffusion in binary and ternary nonpolar hydrocarbon + alcohol mixtures

    NASA Astrophysics Data System (ADS)

    Eslamian, Morteza; Saghir, M. Ziad

    2012-12-01

    Thermodiffusion in complex mixtures, such as associating, molten metal, and polymer mixtures is difficult to model usually owing to the occurrence of a sign change in the thermodiffusion coefficient when the mixture concentration and temperature change. A mixture comprised of a nonpolar hydrocarbon and an alcohol is a complex and highly non-ideal mixture. In this paper an existing binary non-equilibrium thermodynamics model (Eslamian and Saghir, Physical Review E 80, 061201, 2009) developed for aqueous mixtures of alcohols is examined against the experimental data of binary nonpolar hydrocarbon and alcohol mixtures. For ternary mixtures, non-equilibrium thermodynamic expressions developed by the authors for aqueous mixtures of alcohols (Eslamian and Saghir, Canadian Journal of Chemical Engineering, DOI 10.1002/cjce.20581) is used to predict thermodiffusion coefficients of ternary nonpolar hydrocarbon and alcohol mixtures. The rationale behind the sign change is elucidated and attributed to an anomalous change in the molecular structure and therefore viscosity of such mixtures. Model predictions of thermodiffusion coefficients of binary mixtures predict a sign change consistent with the experimental data although the model is still too primitive to capture all structural complexities. For instance, in the methanol-benzene mixture where the model predictions are poorest, the viscosity data show that when concentration varies, the mixture's molecular structure experiences a severe change twice, the first major change leading to a maximum in the thermodiffusion coefficient, whereas the second change causes a sign change.

  1. Communication: Virial coefficients and demixing in highly asymmetric binary additive hard-sphere mixtures.

    PubMed

    López de Haro, Mariano; Tejero, Carlos F; Santos, Andrés

    2013-04-28

    The problem of demixing in a binary fluid mixture of highly asymmetric additive hard spheres is revisited. A comparison is presented between the results derived previously using truncated virial expansions for three finite size ratios with those that one obtains with the same approach in the extreme case in which one of the components consists of point particles. Since this latter system is known not to exhibit fluid-fluid segregation, the similarity observed for the behavior of the critical constants arising in the truncated series in all instances, while not being conclusive, may cast serious doubts as to the actual existence of a demixing fluid-fluid transition in disparate-sized binary additive hard-sphere mixtures. PMID:23635104

  2. Nucleation in a Sheared Liquid Binary Mixture.

    NASA Astrophysics Data System (ADS)

    Min, Kyung-Yang

    When a binary liquid mixture of lutidine plus water (LW) is quenched to a temperature T and is exposed to a continuous shear rate S, the result is a steady-state droplet distribution. This steady state can be probed by measuring the unscattered intensity I_{f}, or the scattered intensity I_{s}, as a function of delta T and S. In the experiments described here, S is fixed and delta T is varied in a step-wise fashion. The absence of hysteresis was probed in two separate experiments: First, I_{f} was measured as a function of S for a given delta T. Next, I_{f} was measured as a function of delta T for a given S. In either case, the hysteresis associated with the shear-free nucleation is absent. In addition, a flow-history dependent hysteresis was studied. In the 2-dimensional parameter space consisting of S and delta T, the onset of nucleation uniquely determines a cloud point line. A plot of the cloud point line exhibits two segments of different slopes with a cross-over near the temperature corresponding to the Becker-Doring limit. The classical picture of a free energy barrier was reformulated to explain this cross-over behavior. Next, photon correlation spectroscopy was used to study the dependence of the transient nucleation behavior on the initial states. A unique feature of this study is that this initial state can be conveniently adjusted by varying the shear rate S to which the mixture is initially exposed. The shear is then turned off, and the number density N(t), as well as the mean radius of the growing droplets, is monitored as a function of time. It was possible to measure the droplet density at a very early stage of phase separation where the nucleation rate J was close to zero. The measurement reveals that N(t) depends critically on the initial state of the metastable system. When the shear is large enough to rupture the droplets as small as the critical size, N(t) increases very slowly. Measurements of the nucleation rates vs. the square of the

  3. Evolution of weak disturbances in inert binary mixtures

    NASA Technical Reports Server (NTRS)

    Rasmussen, M. L.

    1977-01-01

    The evolution of weak disturbances in inert binary mixtures is determined for the one-dimensional piston problem. The interaction of the dissipative and nonlinear mechanisms is described by Burgers' equation. The binary mixture diffusion mechanisms enter as an additive term in an effective diffusivity. Results for the impulsive motion of a piston moving into an ambient medium and the sinusoidally oscillating piston are used to illustrate the results and elucidate the incorrect behavior pertaining to the associated linear theory.

  4. Prediction of viscosity of dense fluid mixtures

    NASA Astrophysics Data System (ADS)

    Royal, Damian D.; Vesovic, Velisa; Trusler, J. P. Martin; Wakeham, William. A.

    The Vesovic-Wakeham (VW) method of predicting the viscosity of dense fluid mixtures has been improved by implementing new mixing rules based on the rigid sphere formalism. The proposed mixing rules are based on both Lebowitz's solution of the Percus-Yevick equation and on the Carnahan-Starling equation. The predictions of the modified VW method have been compared with experimental viscosity data for a number of diverse fluid mixtures: natural gas, hexane + hheptane, hexane + octane, cyclopentane + toluene, and a ternary mixture of hydrofluorocarbons (R32 + R125 + R134a). The results indicate that the proposed improvements make possible the extension of the original VW method to liquid mixtures and to mixtures containing polar species, while retaining its original accuracy.

  5. CRITICALITY CURVES FOR PLUTONIUM HYDRAULIC FLUID MIXTURES

    SciTech Connect

    WITTEKIND WD

    2007-10-03

    This Calculation Note performs and documents MCNP criticality calculations for plutonium (100% {sup 239}Pu) hydraulic fluid mixtures. Spherical geometry was used for these generalized criticality safety calculations and three geometries of neutron reflection are: {sm_bullet}bare, {sm_bullet}1 inch of hydraulic fluid, or {sm_bullet}12 inches of hydraulic fluid. This document shows the critical volume and critical mass for various concentrations of plutonium in hydraulic fluid. Between 1 and 2 gallons of hydraulic fluid were discovered in the bottom of HA-23S. This HA-23S hydraulic fluid was reported by engineering to be Fyrquel 220. The hydraulic fluid in GLovebox HA-23S is Fyrquel 220 which contains phosphorus. Critical spherical geometry in air is calculated with 0 in., 1 in., or 12 inches hydraulic fluid reflection.

  6. Dynamics of phase separation of binary fluids

    NASA Technical Reports Server (NTRS)

    Ma, Wen-Jong; Maritan, Amos; Banavar, Jayanth R.; Koplik, Joel

    1992-01-01

    The results of molecular-dynamics studies of surface-tension-dominated spinodal decomposition of initially well-mixed binary fluids in the absence and presence of gravity are presented. The growth exponent for the domain size and the decay exponent of the potential energy of interaction between the two species with time are found to be 0.6 +/- 0.1, inconsistent with scaling arguments based on dimensional analysis.

  7. Nonergodic correction to a binary mixture phase diagram

    NASA Astrophysics Data System (ADS)

    Son, L.

    2016-05-01

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

  8. Experimental Droplet Study of Inverted Marangoni Effect of a Binary Liquid Mixture on a Nonuniform Heated Substrate.

    PubMed

    Ouenzerfi, Safouene; Harmand, Souad

    2016-03-15

    We present an experimental study on the inversion of the Marangoni effect of a binary mixture droplet under a horizontal temperature gradient. In particular, we studied the dynamics and the evaporation behavior under these conditions. We show that a binary mixture (97% water-3% butanol) droplet has a tendency to migrate to warmer areas, as opposed to spreading in pure fluids. During the evaporation process, we distinguish three stages of evaporation that are correlated to the dynamics of the droplet. PMID:26881907

  9. Transport Properties of He-N{sub 2} Binary Gas Mixtures for CBC Space Applications

    SciTech Connect

    Tournier, Jean-Michel P.; El-Genk, Mohamed S.

    2008-01-21

    In order to reduce the size and mass of the single-shaft turbo-machines, with little impact on the size of the heat transfer components in the CBC loop, He-Xe binary mixture with a molecular weight of 40 g/mole has been the working fluid of choice in space nuclear reactor power systems with Close Brayton Cycle (CBC) for energy conversion. This working fluid is also a suitable coolant for the fission reactors heat source designed with fast neutron energy spectra. For space nuclear reactors with thermal neutron energy spectra, however, the high capture neutron cross-section of Xe will reduce the beginning-of-life excess reactivity of the reactor, decreasing its effective operation lifetime. In addition, the neutron activation of Xe in the reactor will introduce a radioactivity source term in the CBC loop. Alternative working fluids with no activation concerns and comparable performance are N{sub 2} and the binary mixtures of He-N{sub 2}. This paper calculates the transport properties of these working fluids and compares their values to those of noble gas binary mixtures at the temperatures and pressures expected in CBC space reactor power system applications. Also investigated is the impact of using these working fluids on the pressure losses, heat transfer coefficient, and the aerodynamic loading of the blades in the CBC turbo-machines.

  10. Transport Properties of He-N2 Binary Gas Mixtures for CBC Space Applications

    NASA Astrophysics Data System (ADS)

    Tournier, Jean-Michel P.; El-Genk, Mohamed S.

    2008-01-01

    In order to reduce the size and mass of the single-shaft turbo-machines, with little impact on the size of the heat transfer components in the CBC loop, He-Xe binary mixture with a molecular weight of 40 g/mole has been the working fluid of choice in space nuclear reactor power systems with Close Brayton Cycle (CBC) for energy conversion. This working fluid is also a suitable coolant for the fission reactors heat source designed with fast neutron energy spectra. For space nuclear reactors with thermal neutron energy spectra, however, the high capture neutron cross-section of Xe will reduce the beginning-of-life excess reactivity of the reactor, decreasing its effective operation lifetime. In addition, the neutron activation of Xe in the reactor will introduce a radioactivity source term in the CBC loop. Alternative working fluids with no activation concerns and comparable performance are N2 and the binary mixtures of He-N2. This paper calculates the transport properties of these working fluids and compares their values to those of noble gas binary mixtures at the temperatures and pressures expected in CBC space reactor power system applications. Also investigated is the impact of using these working fluids on the pressure losses, heat transfer coefficient, and the aerodynamic loading of the blades in the CBC turbo-machines.

  11. Determining the Porosity and Saturated Hydraulic Conductivity of Binary Mixtures

    SciTech Connect

    Zhang, Z. F.; Ward, Anderson L.; Keller, Jason M.

    2011-02-14

    Gravels and coarse sands make up significant portions of some environmentally important sediments, while the hydraulic properties of the sediments are typically obtained in the laboratory using only the fine fraction (e.g., <2 mm or 4.75 mm). Researchers have found that the content of gravel has significant impacts on the hydraulic properties of the bulk soils. Laboratory experiments were conducted to measure the porosity and the saturated hydraulic conductivity of binary mixtures with different fractions of coarse and fine components. We proposed a mixing-coefficient model to estimate the porosity and a power-averaging method to determine the effective particle diameter and further to predict the saturated hydraulic conductivity of binary mixtures. The proposed methods could well estimate the porosity and saturated hydraulic conductivity of the binary mixtures for the full range of gravel contents and was successfully applied to two data sets in the literature.

  12. Determining the Porosity and Saturated Hydraulic Conductivity of Binary Mixtures

    SciTech Connect

    Zhang, Z. F.; Ward, Anderson L.; Keller, Jason M.

    2009-09-27

    Gravels and coarse sands make up significant portions of some environmentally important sediments, while the hydraulic properties of the sediments are typically obtained in the laboratory using only the fine fraction (e.g., <2 mm or 4.75 mm). Researchers have found that the content of gravel has significant impacts on the hydraulic properties of the bulk soils. Laboratory experiments were conducted to measure the porosity and the saturated hydraulic conductivity of binary mixtures with different fractions of coarse and fine components. We proposed a mixing-coefficient model to estimate the porosity and a power-averaging method to determine the effective particle diameter and further to predict the saturated hydraulic conductivity of binary mixtures. The proposed methods could well estimate the porosity and saturated hydraulic conductivity of the binary mixtures for the full range of gravel contents and was successfully applied to two data sets in the literature.

  13. Solvatochromic Study on Binary Solvent Mixtures with Ionic Liquids

    NASA Astrophysics Data System (ADS)

    Koel, Mihkel

    2008-08-01

    Solvent effects on 2,6-dichloro-4-(2,4,6-triphenyl-pyridinium-1-yl)phenolate [ET (33) dye] and 7- diethylamino-3,4-benzophenoxazine-2-one (Nile Red) in binary mixtures of organic solvents (acetone, acetonitrile, propylene carbonate, methanol and ethane-1,2-diol) with 1,3-dialkyl imidazoliumbased ionic liquids were studied by UV-visible spectroscopy. Highly nonlinear behaviour of mixtures of alcohols and ionic liquids was found. A preferential solvation model was applied to the data obtained on solvatochromic shifts over the entire mixing range. It is fitting the data well for alcohol mixtures and for other solvent mixtures with different ionic liquids.

  14. Intermolecular forces in acetonitrile + ethanol binary liquid mixtures

    NASA Astrophysics Data System (ADS)

    Elangovan, A.; Shanmugam, R.; Arivazhagan, G.; Mahendraprabu, A.; Karthick, N. K.

    2015-10-01

    FTIR spectral measurements have been carried out on the binary mixtures of acetonitrile with ethanol at 1:0 (acetonitrile:ethanol), 1:1, 1:2, 1:3 and 0:1 at room temperature. DFT and isosurface calculations have been performed. The acetonitrile + ethanol binary mixtures consist of 1:1, 1:2, 1:3 and 1:4 complexes formed through both the red and blue shifting H-bonds. Inter as well as intra molecular forces are found to exist in 1:3 and 1:4 complexes.

  15. Binary Mixtures of Particles with Different Diffusivities Demix.

    PubMed

    Weber, Simon N; Weber, Christoph A; Frey, Erwin

    2016-02-01

    The influence of size differences, shape, mass, and persistent motion on phase separation in binary mixtures has been intensively studied. Here we focus on the exclusive role of diffusivity differences in binary mixtures of equal-sized particles. We find an effective attraction between the less diffusive particles, which are essentially caged in the surrounding species with the higher diffusion constant. This effect leads to phase separation for systems above a critical size: A single close-packed cluster made up of the less diffusive species emerges. Experiments for testing our predictions are outlined. PMID:26894737

  16. Binary hard chain mixtures. I. Generalized Flory equations of state

    SciTech Connect

    Wichert, J.M.; Gulati, H.S.; Hall, C.K.

    1996-11-01

    In this series of two papers we study the thermodynamics of binary hard chain mixtures. Here, a generalized Flory-dimer (GF-D) equation of state is derived for binary hard chain mixtures composed of chains of variable length and segment diameter. Compressibility factors predicted by the GF-D equation of state developed here and by the previously derived generalized Flory equation of state are compared to previous Monte Carlo results for hard monomer/hard chain mixtures, and to new molecular dynamics (MD) hard monomer/hard chain and hard chain/hard chain mixture simulation results. Compared to the MD simulations, the GF-D theory is found to be quite accurate, with an average error of about 3{percent} at liquid-like densities. {copyright} {ital 1996 American Institute of Physics.}

  17. Phase equilibria for complex fluid mixtures

    SciTech Connect

    Prausnitz, J.M.

    1983-04-01

    After defining complex mixtures, attention is given to the canonical procedure used for the thermodynamics of fluid mixtures: first, we establish a suitable, idealized reference system and then we establish a perturbation (or excess function) which corrects the idealized system for real behavior. For complex mixtures containing identified components (e.g. alcohols, ketones, water) discussion is directed at possible techniques for extending to complex mixtures our conventional experience with reference systems and perturbations for simple mixtures. Possible extensions include generalization of the quasi-chemical approximation (local compositions) and superposition of chemical equilibria (association and solvation) on a physical equation of state. For complex mixtures containing unidentified components (e.g. coal-derived fluids), a possible experimental method is suggested for characterization; conventional procedures can then be used to calculate phase equilibria using the concept of pseudocomponents whose properties are given by the characterization data. Finally, as an alternative to the pseudocomponent method, a brief introduction is given to phase-equilibrium calculations using continuous thermodynamics.

  18. Pattern formation in granular binary mixtures under shear flow

    NASA Astrophysics Data System (ADS)

    Gao, Xin; Narteau, Clement; Rozier, Olivier

    2013-04-01

    We study numerically the formation and evolution of bed forms using a binary granular mixture. The two types of particles may have different dynamic properties and angle of repose. We associate these changes to two different grain sizes, the so-called coarse and thin particles. Our computation are based on a real-space cellular automaton that combines a model of sediment transport with a lattice-gas cellular automaton. Thus, we implement the permanent feedbacks between fluid flow and topography. Keeping constant the strength of the flow, we explore a parameter-space by varying the size of the coarse particles and their proportion within the bed. As a result of avalanches and sediment transport, we systematically find regions of segregation and stratification. In a vast majority of cases, we also observe the formation of an armoring layer mainly composed of coarse particles. Its depth is mainly controlled by the proportion of coarse grains and not by the size of these larger particles. When there is a larger proportion of thin particles, transverse dunes develop on the top of the armoring layer. As this proportion decreases, we may observe barchans or even no clear bed forms. We conclude that the main control parameter for dune pattern formation is the thin sediment availability. Finally, we discuss the processes responsible for the formation of the armoring layer and show how it controls the overall sediment transport.

  19. Orientational ordering and phase behaviour of binary mixtures of hard spheres and hard spherocylinders

    NASA Astrophysics Data System (ADS)

    Wu, Liang; Malijevský, Alexandr; Jackson, George; Müller, Erich A.; Avendaño, Carlos

    2015-07-01

    We study the structure and fluid-phase behaviour of binary mixtures of hard spheres (HSs) and hard spherocylinders (HSCs) in isotropic and nematic states using the NPnAT ensemble Monte Carlo (MC) approach in which the normal component of the pressure tensor is fixed in a system confined between two hard walls. The method allows one to estimate the location of the isotropic-nematic phase transition and to observe the asymmetry in the composition between the coexisting phases, with the expected enhancement of the HSC concentration in the nematic phase. This is in stark contrast with the previously reported MC simulations where a conventional isotropic NPT ensemble was used. We further compare the simulation results with the theoretical predictions of two analytic theories that extend the original Parsons-Lee theory using the one-fluid and the many-fluid approximations [Malijevský et al., J. Chem. Phys. 129, 144504 (2008)]. In the one-fluid version of the theory, the properties of the mixture are related to an effective one-component HS system, while in the many-fluid theory, the components of the mixtures are represented as separate effective HS particles. The comparison reveals that both the one- and the many-fluid approaches provide a reasonably accurate quantitative description of the mixture including the predictions of the isotropic-nematic phase boundary and degree of orientational order of the HSC-HS mixture.

  20. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOEpatents

    Miller, Robert N.

    1986-01-01

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300.degree. C. before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil.

  1. Microscopic study and modeling of thermodiffusion in binary associating mixtures.

    PubMed

    Eslamian, Morteza; Saghir, M Ziad

    2009-12-01

    Thermodiffusion in associating mixtures is a complex phenomenon, owing to the strong dependence of the molecular structure of such mixtures on concentration. In this paper, we attempt to elucidate this phenomenon and propose a qualitative mechanism for the separation of species in binary associating mixtures. A correlation between the sign change in the thermal diffusion factor and a change in the molecular structure, mixture viscosity, and the excess entropy of mixing in such mixtures is established. To quantify this correlation, we modify our recently developed dynamic model based on the Drickamer nonequilibrium thermodynamic approach [M. Eslamian and M. Z. Saghir, Phys. Rev. E 80, 011201 (2009)] and propose expressions for the estimation of thermal diffusion factor in binary associating mixtures. The prediction power of the proposed expressions, as well as other widely used models, are examined against the experimental data. The proposed theoretical expressions are self-contained and only rely on the viscosity data as input and predict a sign change in the thermal diffusion factor in associating mixtures. PMID:20365155

  2. Composition measurements of binary mixture droplets by rainbow refractometry

    SciTech Connect

    Wilms, J.; Weigand, B

    2007-04-10

    So far, refractive index measurements by rainbow refractometry have been used to determine the temperature of single droplets and ensembles of droplets. Rainbow refractometry is, for the first time, to the best of our knowledge, applied to measure composition histories of evaporating, binary mixture droplets. An evaluation method is presented that makes use of Airy theory and the simultaneous size measurement by Mie scattering imaging. The method further includes an empirical correction function for a certain diameter and refractive index range. The measurement uncertainty was investigated by numerical simulations with Lorenz-Mie theory. For the experiments, an optical levitation setup was used allowing for long measurement periods. Temperature measurements of single-component droplets at different temperature levels are shown to demonstrate the accuracy of rainbow refractometry. Measurements of size and composition histories of binary mixture droplets are presented for two different mixtures. Experimental results show good agreement with numerical results using a rapid-mixing model.

  3. Coarsening in binary solid-liquid mixtures

    NASA Technical Reports Server (NTRS)

    Voorhees, P. W.

    1990-01-01

    A theory of Ostwald ripening has been developed for a solid-liquid mixture cosisting of a low volume fraction array of spherical solid particles in a liquid wherein the coarsening process proceeds via the transport of both heat and mass. It is found that the simultaneous transport of heat and mass during ripening does not alter the exponents of the temporal power laws governing the ripening process from their classical values but does alter the amplitudes of these power laws. The growth rate of the cube of the average particle radius, the rate constant, is found to depend both on the alloy solute concentration and the ratio of the thermal to solutal diffusivities. In most metallic systems, a large decrease in the rate constant can be expected with small additions of solute to a pure metal. Possible extensions of this theory to the analogous problem of ripening in isothermal ternary alloys are also discussed.

  4. Dynamics of dense granular flows of small-and-large-grain mixtures in an ambient fluid.

    PubMed

    Meruane, C; Tamburrino, A; Roche, O

    2012-08-01

    Dense grain flows in nature consist of a mixture of solid constituents that are immersed in an ambient fluid. In order to obtain a good representation of these flows, the interaction mechanisms between the different constituents of the mixture should be considered. In this article, we study the dynamics of a dense granular flow composed of a binary mixture of small and large grains immersed in an ambient fluid. In this context, we extend the two-phase approach proposed by Meruane et al. [J. Fluid Mech. 648, 381 (2010)] to the case of flowing dense binary mixtures of solid particles, by including in the momentum equations a constitutive relation that describes the interaction mechanisms between the solid constituents in a dense regime. These coupled equations are solved numerically and validated by comparing the numerical results with experimental measurements of the front speed of gravitational granular flows resulting from the collapse, in ambient air or water, of two-dimensional granular columns that consisted of mixtures of small and large spherical particles of equal mass density. Our results suggest that the model equations include the essential features that describe the dynamics of grains flows of binary mixtures in an ambient fluid. In particular, it is shown that segregation of small and large grains can increase the front speed because of the volumetric expansion of the flow. This increase in flow speed is damped by the interaction forces with the ambient fluid, and this behavior is more pronounced in water than in air. PMID:23005858

  5. Pattern formation in granular binary mixtures under shear flow

    NASA Astrophysics Data System (ADS)

    Gao, X.; Narteau, C.; Rozier, O.

    2012-12-01

    Polydisperse granular materials are ubiquitous in the field of geomorphology. Nevertheless, it remains a challenge to address the impact of segregation, stratification and mixing on landscape dynamics and sediment transport. Here, we study numerically the formation and evolution of bed forms using a binary granular mixture. The two types of particles may have different dynamic properties and angle of repose. We associate these changes to two different grain sizes, the so-called coarse and thin particles. Our computation are based on a real-space cellular automaton that combines a model of sediment transport with a lattice-gas cellular automaton. Thus, we implement the permanent feedbacks between fluid flow and topography. Keeping constant the strength of the flow, we explore a parameter-space by varying the size of the coarse particles and their proportion within the bed. As a result of avalanches and sediment transport, we systematically find regions of segregation and stratification. In a vast majority of cases, we also observe the formation of an armoring layer mainly composed of coarse particles. Its depth is mainly controlled by the proportion of coarse grains and not by the size of these larger particles. When there is a larger proportion of thin particles, transverse dunes develop on the top of the armoring layer. As this proportion decreases, we may observe barchans or even no clear bed forms. Not surprisingly, we conclude that the main control parameter for dune pattern formation is the thin sediment availability. Finally, we discuss the processes responsible for the formation of the armoring layer and show how it controls the overall sediment transport.

  6. Viscosity and phase separations of binary CO-He and CO-Ar mixtures

    NASA Astrophysics Data System (ADS)

    Rademacher, N.; Bayarjargal, L.; Morgenroth, W.; Ciezak-Jenkins, J. A.; Winkler, B.

    2015-01-01

    Binary mixtures of 10 and 25 vol% CO in He and 10 vol% CO in Ar have been studied at high pressures and ambient temperature in diamond anvil cells. Phase separations were observed at 5.7(3) GPa, 3.6(2) GPa and 1.6(1) GPa. Earlier studies of ?-He mixtures of comparable concentrations revealed phase separations at significantly larger pressures, while ?-Ar mixtures separate at pressures comparable to those observed in the CO-Ar system here. The viscosity of a CO-rich fluid phase was determined by measuring the velocities of rising He bubbles. After corrections for the influence of the finite container size and of remaining helium in CO, the viscosity of the CO-rich fluid at 3.8(1) GPa was ≈3(1) mPa s, similar to what would be expected for isoelectronic liquid ? under the same conditions.

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

    NASA Astrophysics Data System (ADS)

    Khordad, R.

    2012-05-01

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

  8. Bose-Einstein condensation in binary mixture of Bose gases

    SciTech Connect

    Tran Huu Phat; Le Viet Hoa; Nguyen Tuan Anh Nguyen Van Long

    2009-10-15

    The Bose-Einstein condensation (BEC) in a binary mixture of Bose gases is studied by means of the Cornwall-Jackiw-Tomboulis (CJT) effective action approach. The equations of state (EoS) and various scenarios of phase transitions of the system are considered in detail, in particular, the numerical computations are carried out for symmetry restoration (SR), symmetry nonrestoration (SNR) and inverse symmetry breaking (ISB) for getting an insight into their physical nature. It is shown that due to the cross interaction between distinct components of mixture there occur two interesting phenomena: the high temperature BEC and the inverse BEC, which could be tested in experiments.

  9. Statistical mechanical theory of fluid mixtures

    NASA Astrophysics Data System (ADS)

    Zhao, Yueqiang; Wu, Zhengming; Liu, Weiwei

    2014-01-01

    A general statistical mechanical theory of fluid mixtures (liquid mixtures and gas mixtures) is developed based on the statistical mechanical expression of chemical potential of components in the grand canonical ensemble, which gives some new relationships between thermodynamic quantities (equilibrium ratio Ki, separation factor α and activity coefficient γi) and ensemble average potential energy u for one molecule. The statistical mechanical expressions of separation factor α and activity coefficient γi derived in this work make the fluid phase equilibrium calculations can be performed by molecular simulation simply and efficiently, or by the statistical thermodynamic approach (based on the saturated-vapor pressure of pure substance) that does not need microscopic intermolecular pair potential functions. The physical meaning of activity coefficient γi in the liquid phase is discussed in detail from a viewpoint of molecular thermodynamics. The calculated Vapor-Liquid Equilibrium (VLE) properties of argon-methane, methanol-water and n-hexane-benzene systems by this model fit well with experimental data in references, which indicates that this model is accurate and reliable in the prediction of VLE properties for small, large and strongly associating molecules; furthermore the statistical mechanical expressions of separation factor α and activity coefficient γi have good compatibility with classical thermodynamic equations and quantum mechanical COSMO-SAC approach.

  10. Coal liquefaction process using pretreatment with a binary solvent mixture

    DOEpatents

    Miller, R.N.

    1986-10-14

    An improved process for thermal solvent refining or hydroliquefaction of non-anthracitic coal at elevated temperatures under hydrogen pressure in a hydrogen donor solvent comprises pretreating the coal with a binary mixture of an aromatic hydrocarbon and an aliphatic alcohol at a temperature below 300 C before the hydroliquefaction step. This treatment generally increases both conversion of coal and yields of oil. 1 fig.

  11. Prediction of Heat Transfer Characteristics of Binary Refrigerant Mixtures in a Plate-Fin Condenser

    NASA Astrophysics Data System (ADS)

    Yara, Tomoyasu; Koyama, Shigeru

    The heat transfer characteristics of binary refrigerant mixtures in a plate-fin condenser are experimentally investigated using a vapor compression heat transformer, in which binary refrigerant mixtures of R 134a/ R 123 are used as the working fluid and water is used as both heat sink and source. Pure refrigerants of R 22 and R 134a are also tested as the working fluid. The experimental ranges of heat flux and mass velocity are from 2 to 20 kW/m2 and from 50 to 100 kg/m2s, respectively. The heat transfer characteristics of the condensation and vapor single-phase flow of pure and mixed refrigerants are discussed, and empirical correlation equations of the condensate heat transfer and vapor single-phase heat transfer are proposed. The correlation equation of water-side heat transfer is also presented. Combining these correlation equations with a correlation equation of vapor mass transfer based on the Chilton-Colburn analogy, a prediction model for condensation of the binary refrigerant mixtures in a plate-fin heat exchanger is developed based on the assumption that the phase equilibrium is only established at the vapor-liquid interface. The calculation results for the pure and mixed refrigerants agree well with the present experimental data. The mass transfer characteristics are also revealed from the calculation results.

  12. Effects of lubricants on binary direct compression mixtures.

    PubMed

    Uğurlu, T; Halaçoğlu, M D; Türkoğlu, M

    2010-04-01

    The objective of this study was to investigate the effects of conventional lubricants including a new candidate lubricant on binary direct compression mixtures. Magnesium stearate (MGST), stearic acid (STAC), glyceryl behenate (COMP) and hexagonal boron nitride (HBN) were tested. The binary mixtures were 1:1 combinations of spray dried lactose (FlowLac 100), dicalcium phosphate dihydrate (Emcompress), and modified starch (Starch 1500) with microcrystalline cellulose (Avicel PH 102). Tablets were manufactured on a single-station instrumented tablet press with and without lubricants. In the case of unlubricated granules, the modified starch-microcrystalline cellulose mixture provided the highest percent compressibility value at 8.25%, spray dried lactose-microcrystalline cellulose mixture was 7.33%, and the dialcium phosphate dihydrate-microcrystalline cellulose mixture was 5.79%. Their corresponding tablet crushing strength values were: 104 N, 117 N, and 61 N, respectively. The lubricant concentrations studied were 0.5, 1, 2, and 4%. Effects of lubricant type and lubricant concentration on crushing strength were analyzed using a factorial ANOVA model. It was found that the Avicel PH 102-Starch 1500 mixture showed the highest lubricant sensitivity (110 N vs. 9 N), the least affected formulation was FlowLac-Avicel PH 102 mixture (118 N vs. 62 N). The crushing strength vs. concentration curve for MGST showed a typical biphasic profile, a fast drop up to 1% and a slower decline between 1 and 4%. The STAC, COMP, and HBN for all formulations showed a shallow linear decline of tablet crushing strength with increasing lubricant concentration. The HBN was as effective as MGST as a lubricant, and did not show a significant negative effect on the crushing strength of the tablets. The COMP and STAC also did not interfere with the crushing strength, however, they were not as effective lubricants as MGST or HBN. PMID:22491169

  13. Effects of a temperature-dependent viscosity on thermal convection in binary mixtures

    NASA Astrophysics Data System (ADS)

    Hilt, Markus; Glässl, Martin; Zimmermann, Walter

    2014-05-01

    We investigate the effect of a temperature-dependent viscosity on the onset of thermal convection in a horizontal layer of a binary fluid mixture that is heated from below. For an exponential temperature dependence of the viscosity, we find, in binary mixtures as a function of a positive separation ratio ψ and beyond a certain viscosity contrast, a discontinuous transition between two stationary convection modes having different wavelengths. In the range of negative values of the separation ratio ψ, a (continuous or discontinuous) transition from an oscillatory to a stationary onset of convection occurs beyond a certain viscosity contrast, and for large values of the viscosity ratio, the oscillatory onset of convection is suppressed.

  14. Effects of a temperature-dependent viscosity on thermal convection in binary mixtures.

    PubMed

    Hilt, Markus; Glässl, Martin; Zimmermann, Walter

    2014-05-01

    We investigate the effect of a temperature-dependent viscosity on the onset of thermal convection in a horizontal layer of a binary fluid mixture that is heated from below. For an exponential temperature dependence of the viscosity, we find, in binary mixtures as a function of a positive separation ratio ψ and beyond a certain viscosity contrast, a discontinuous transition between two stationary convection modes having different wavelengths. In the range of negative values of the separation ratio ψ, a (continuous or discontinuous) transition from an oscillatory to a stationary onset of convection occurs beyond a certain viscosity contrast, and for large values of the viscosity ratio, the oscillatory onset of convection is suppressed. PMID:25353805

  15. Viscosity minima in binary mixtures of ionic liquids + molecular solvents.

    PubMed

    Tariq, M; Shimizu, K; Esperança, J M S S; Canongia Lopes, J N; Rebelo, L P N

    2015-05-28

    The viscosity (η) of four binary mixtures (ionic liquids plus molecular solvents, ILs+MSs) was measured in the 283.15 < T/K < 363.15 temperature range. Different IL/MS combinations were selected in such a way that the corresponding η(T) functions exhibit crossover temperatures at which both pure components present identical viscosity values. Consequently, most of the obtained mixture isotherms, η(x), exhibit clear viscosity minima in the studied T-x range. The results are interpreted using auxiliary molecular dynamics (MD) simulation data in order to correlate the observed η(T,x) trends with the interactions in each mixture, including the balance between electrostatic forces and hydrogen bonding. PMID:25933136

  16. Photophysical study of Zn phthalocyanine in binary solvent mixtures

    NASA Astrophysics Data System (ADS)

    Staicu, A.; Pascu, A.; Boni, M.; Pascu, M. L.; Enescu, M.

    2013-07-01

    Photophysical properties of phthalocyanines are important in photodynamic therapy, where these compounds are proposed as photosensitizing agents. We report here some significant solvent effects on the photophysical properties of Zn phthalocyanine (ZnPc) observed in binary solvent mixture dimethyl sulfoxide/water at several ratios of cosolvents. The absorbance of ZnPc at the maximum of Q band has a sharp drop in intensity for a water mass percent in the solvent mixture larger than 40%. The same characteristic shows also the quantum yield of fluorescence. A particular result is the increase of singlet oxygen lifetime for water percentage raise up to 20% in the solvent mixture. The effects are discussed in connection with the particular solvent microenvironment, involving DMSO/water clusters formation and the strong interaction between the solute and the solvent.

  17. Simple binary mixtures of hydrogen and ammonia under extreme pressures

    NASA Astrophysics Data System (ADS)

    Borstad, Gustav; Yoo, Choong-Shik

    2013-03-01

    Binary mixtures under pressure are of interest as fundamental systems in physics and chemistry as they allow the effects of the environment on the behavior of different chemical compounds to be examined. Furthermore, mixtures of simple molecular systems are of interest for applications in fuel cells and also to planetary science due to their presence in the interiors of the giant gas planets. In this presentation, Raman data on the ammonia and hydrogen system under pressure will be presented, and the extent and nature of the interactions in this mixture will be discussed. The work has been supported by NSF (DMR-0854618 and DMR-1203834); GB was also supported by the ISP scholarship at WSU.

  18. Segregation of a binary mixture of granular particles

    NASA Astrophysics Data System (ADS)

    Yoon, Kook-Young

    Kinetic theory for a binary mixture of slightly inelastic particles, based on Maxwellian velocity distribution with corrections due to high density, is used to predict segregation of a binary mixture with species differing in sizes and material densities. The relative mean species velocities indicates segregation for a mixture uniformly agitated under gravity. Molecular dynamics simulations of elastic hard spheres and physical experiments with inelastic spheres in a cylindrical container vibrated at high normalized acceleration support this prediction. An analysis for a non-uniformly agitated mixture under gravity provides a general criterion for segregation. We establish the validity of equipartition assumption in this problem. Then, we introduce kinetic theory for mono-disperse disks with a friction model differentiating sticking and sliding collisions and derive a simple way of incorporating friction into theory with effective normal restitution coefficient. We linearize Revised Enskog Theory for a binary mixture of disks with small differences in sizes and masses. By solving a boundary value problem of the mixture sheared between two bumpy circular cells, we provide experimenters a concrete way of testing the theory. We then compare dense Maxwellian theory, from the first problem, with Revised Enskog Theory to see differences and their consequences on the prediction of segregation. In the absence of temperature gradient, with gravity present, they yield similar predictions. However, in the presence of temperature gradient, with gravity absent, they only agree at high volume fractions. Then, we describe a steady fully-developed flow on a bumpy incline, with a kinetic theory for mono-disperse spheres. We test the theory by attempting to reproduce three features of inclined flows from physical experiments and numerical simulations. On failing this, we describe modifications that may salvage the core of the theory with a few assumptions. A chain theory is

  19. Induced stabilization of columnar phases in binary mixtures of discotic liquid crystals.

    PubMed

    Cienega-Cacerez, Octavio; García-Alcántara, Consuelo; Moreno-Razo, José Antonio; Díaz-Herrera, Enrique; Sambriski, Edward John

    2016-01-28

    Three discotic liquid-crystalline binary mixtures, characterized by their extent of bidispersity in molecular thickness, were investigated with molecular dynamics simulations. Each equimolar mixture contained A-type (thin) and B-type (thick) discogens. The temperature-dependence of the orientational order parameter reveals that A-type liquid samples produce ordered phases more readily, with the (hexagonal) columnar phase being the most structured variant. Moderately and strongly bidisperse mixtures produce globally-segregated samples for temperatures corresponding to ordered phases; the weakly bidisperse mixture displays microheterogeneities. Ordered phases in the B-type liquid are induced partially by the presence of the A-type fluid. In the moderately bidisperse mixture, order is induced through orientational frustration: a mixed prenematic-like phase precedes global segregation to yield nematic and columnar mesophases upon further cooling. In the strongly bidisperse mixture, order is induced less efficiently through a paranematic-like mechanism: a highly-ordered A-type fluid imparts order to B-type discogens found at the interface of a fully-segregated sample. This ordering effect permeates into the disordered B-type domain until nematic and columnar phases emerge upon further cooling. At sufficiently low temperatures, all samples investigated exhibit the (hexagonal) columnar mesophase. PMID:26576703

  20. Solubility of pyrene in binary alkane + 1-octanol solvent mixtures

    SciTech Connect

    Zvaigzne, A.I.; Acree, W.E. Jr.

    1995-09-01

    Solid-liquid equilibrium data of organic nonelectrolyte systems are becoming increasingly important in the petroleum industry, particularly in light of present trends toward heavier feedstocks and known carcinogenicity/mutagenicity of many of the larger polycyclic aromatic compounds. Experimental solubilities are reported for pyrene dissolved in seven binary mixtures containing 1-octanol with hexane, heptane, octane, cyclohexane, methylcyclohexane, 2,2,4-trimethylpentane, and (1,1-dimethylethyl)cyclohexane at 26 C. Results of these measurements are used to test two mathematical representations based upon the combined nearly ideal binary solvent (NIBS)/Redlich-Kister equation and modified Wilson model. For the system studied, the three-parameter combined NIBS/Redlich-Kister equation was found to provide the better mathematical representation, with deviations between experimental and back-calculated values being on the order of {+-}1.5% or lees. Slightly larger deviations were noted in the case of the two-parameter modified Wilson equation.

  1. Critical adsorption and colloidal interaction in binary liquid mixtures

    NASA Astrophysics Data System (ADS)

    Alam, Sharmine; Omari, Rami; Grabowski, Christopher; Mukhopadhyay, Ashis

    2015-03-01

    We studied critical adsorption on colloidal nanoparticles in binary liquid mixture of 2,6 lutidine + water by using fluorescence correlation spectroscopy (FCS). Our results indicated that the adsorbed film thickness is of the order of correlation length associated with concentration fluctuations. The excess adsorption per unit area increases following a power law in reduced temperature with an exponent of -1, which is the mean-field value for the bulk susceptibility exponent. The measurements at higher particle volume fractions, where particle-particle interaction becomes important, will be presented. Acknowledgements are made to the Donors of the American Chemical Society Petroleum Research fund (PRF # 51694-ND10) for support of this research.

  2. Microscopic theory for anisotropic pair correlations in driven binary mixtures

    NASA Astrophysics Data System (ADS)

    Kohl, Matthias; Ivlev, Alexei V.; Brandt, Philip; Morfill, Gregor E.; Löwen, Hartmut

    2012-11-01

    A self-consistent microscopic approach to calculate non-equilibrium pair correlations in strongly interacting driven binary mixtures is presented. The theory is derived from the many-body Smoluchowski equation for interacting Brownian particles by employing Kirkwood’s superposition approximation as a closure relation. It is shown that the pair correlations can exhibit notable anisotropy and a strong tendency to laning in the driving direction. Furthermore, there are strong indications that pair correlations are characterized by a long-range decay along the drive. The theoretical results are in good quantitative agreement with the complementary Brownian dynamics computer simulations.

  3. Asymptotic-preserving Boltzmann model equations for binary gas mixture

    NASA Astrophysics Data System (ADS)

    Liu, Sha; Liang, Yihua

    2016-02-01

    An improved system of Boltzmann model equations is developed for binary gas mixture. This system of model equations has a complete asymptotic preserving property that can strictly recover the Navier-Stokes equations in the continuum limit with the correct constitutive relations and the correct viscosity, thermal conduction, diffusion, and thermal diffusion coefficients. In this equation system, the self- and cross-collision terms in Boltzmann equations are replaced by single relaxation terms. In monocomponent case, this system of equations can be reduced to the commonly used Shakhov equation. The conservation property and the H theorem which are important for model equations are also satisfied by this system of model equations.

  4. Asymptotic-preserving Boltzmann model equations for binary gas mixture.

    PubMed

    Liu, Sha; Liang, Yihua

    2016-02-01

    An improved system of Boltzmann model equations is developed for binary gas mixture. This system of model equations has a complete asymptotic preserving property that can strictly recover the Navier-Stokes equations in the continuum limit with the correct constitutive relations and the correct viscosity, thermal conduction, diffusion, and thermal diffusion coefficients. In this equation system, the self- and cross-collision terms in Boltzmann equations are replaced by single relaxation terms. In monocomponent case, this system of equations can be reduced to the commonly used Shakhov equation. The conservation property and the H theorem which are important for model equations are also satisfied by this system of model equations. PMID:26986408

  5. Rayleigh-Brillouin Scattering in Binary-Gas Mixtures

    NASA Astrophysics Data System (ADS)

    Gu, Z.; Ubachs, W.; Marques, W.; van de Water, W.

    2015-06-01

    Precise measurements are performed on spectral line shapes of spontaneous Rayleigh-Brillouin scattering in mixtures of the noble gases Ar and Kr, with He. Admixture of a light He atomic fraction results in marked changes of the spectra, although in all experiments He is merely a spectator atom: it affects the relaxation of density fluctuations of the heavy constituent, but its contribution to the scattered light intensity is negligibly small. The results are compared to a theory for the spectral line shape without adjustable parameters, yielding excellent agreement for the case of binary monatomic gases, signifying a step towards modeling and understanding of light scattering in more complex molecular media.

  6. Bosonic binary mixtures with Josephson-type interactions

    NASA Astrophysics Data System (ADS)

    Souza, Valéria de C.; Arenas, Zochil González; Barci, Daniel G.; Linhares, Cesar A.

    2016-05-01

    Motivated by experiments in bosonic mixtures composed of a single element in two different hyperfine states, we study bosonic binary mixtures in the presence of Josephson interactions between species. We focus on a particular model with O(2) isospin symmetry, lifted by an imbalanced population parametrized by a Rabi frequency, ΩR, and a detuning, ν, which couples the phases of both species. We have studied the model at mean-field approximation plus Gaussian fluctuations. We have found that both species simultaneously condensate below a critical temperature Tc and the relative phases are locked by the applied laser phase, α. Moreover, the condensate fractions are strongly dependent on the ratio ΩR / ∣ ν ∣ that is not affected by thermal fluctuations.

  7. Mechanisms in size segregation of binary granular mixtures

    NASA Astrophysics Data System (ADS)

    Ulrich, Stephan; Kreft, Jennifer; Schröter, Matthias; Swift, Jack; Swinney, Harry

    2006-03-01

    Shaking of a mixture of large and small particles can lead to segregation. One distinguishes between the Brazil-nut effect (large particles go to the top) and its opposite, the reverse Brazil-nut effect. In this talk, experiments of vertically shaken binary mixtures are presented. Using image analysis, the number of large particles visible at the top and bottom of the granulate are counted to determine the state of segregation. By complementing these results with molecular dynamics simulations, we are able to identify different segregation mechanisms discussed in recent theoretical approaches: a geometrical mechanism called void filling, transport of particles in sidewall-driven convection rolls, and thermal diffusion, a mechanism predicted by kinetic theory.

  8. Large attractive depletion interactions in soft repulsive-sphere binary mixtures.

    PubMed

    Cinacchi, Giorgio; Martínez-Ratón, Yuri; Mederos, Luis; Navascués, Guillermo; Tani, Alessandro; Velasco, Enrique

    2007-12-01

    We consider binary mixtures of soft repulsive spherical particles and calculate the depletion interaction between two big spheres mediated by the fluid of small spheres, using different theoretical and simulation methods. The validity of the theoretical approach, a virial expansion in terms of the density of the small spheres, is checked against simulation results. Attention is given to the approach toward the hard-sphere limit and to the effect of density and temperature on the strength of the depletion potential. Our results indicate, surprisingly, that even a modest degree of softness in the pair potential governing the direct interactions between the particles may lead to a significantly more attractive total effective potential for the big spheres than in the hard-sphere case. This might lead to significant differences in phase behavior, structure, and dynamics of a binary mixture of soft repulsive spheres. In particular, a perturbative scheme is applied to predict the phase diagram of an effective system of big spheres interacting via depletion forces for a size ratio of small and big spheres of 0.2; this diagram includes the usual fluid-solid transition but, in the soft-sphere case, the metastable fluid-fluid transition, which is probably absent in hard-sphere mixtures, is close to being stable with respect to direct fluid-solid coexistence. From these results, the interesting possibility arises that, for sufficiently soft repulsive particles, this phase transition could become stable. Possible implications for the phase behavior of real colloidal dispersions are discussed. PMID:18067358

  9. Binary and ternary gas mixtures for use in glow discharge closing switches

    DOEpatents

    Hunter, Scott R.; Christophorou, Loucas G.

    1990-01-01

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue of the combined physio-electric properties of the mixture components.

  10. Phase behavior of binary hard-sphere mixtures from perturbation theory.

    PubMed

    Velasco, E; Navascués, G; Mederos, L

    1999-09-01

    Using a first-order perturbation theory, we have studied the phase diagram of a binary mixture of hard spheres for different values of the size ratio. Recent models for the two-body depletion potential between large spheres are used to take into account the role of the small spheres. The theory predicts a complex phase diagram including a fluid-solid transition at high packing fraction of small spheres, metastability of fluid-fluid demixing, an isostructural solid-solid transition at high packing fraction of the large spheres for sufficiently small values of the size ratio q of the spheres, and the tendency to sticky-sphere behavior in the limit q-->0. The agreement with recent simulation results is quite good. We also show that this phenomenology was already implicit in the pioneering work of Asakura and Oosawa. PMID:11970123

  11. Energy landscape view of nonideality in binary mixtures.

    PubMed

    Abraham, Sneha Elizabeth; Chakrabarti, Dwaipayan; Bagchi, Biman

    2007-02-21

    Positive and negative deviations from the prediction of Raoult's Law on the composition dependence of a property of binary mixtures are often explained in terms of structure formation and structure breakage, respectively, upon mixing. However, a detailed theoretical description of these ideas seems to be lacking in the literature. Here we present the energy landscape view of nonideality of the viscosity of the binary mixture using two different models, one for structure former and the other for structure breaker. For both the models, the average inherent structure energy shows an inverse correlation with the viscosity. The inherent structures of the structure former indicate that there is a considerable enhancement of short range order due to stronger attractive interaction between the two constituent species. On the other hand, for the structure breaker, there is no such enhancement of short range order due to weaker interaction between the two constituent species. We find the inherent structures of the structure breaker to be phase separated in many cases where the parent phase is homogeneous. When the configurational entropy of the parent liquid is computed for the two model systems, we find that the configurational entropy also shows an inverse correlation with the viscosity in both the cases. PMID:17328614

  12. Interacting fronts in a model for binary-mixture convection

    SciTech Connect

    Riecke, H.; Herrero, H.

    1994-06-01

    Motivated by the observation of localized traveling-wave states (`pulses`) in convection in binary liquid mixtures, the interaction of fronts is investigated in a real Ginzburg-Landau equation which is coupled to a large-scale field. In that system the Ginzburg-Landau equation describes the traveling-wave amplitude and the large-scale field corresponds to a concentration mode which arises due to the slowness of mass diffusion. For single fronts the large-scale field can lead to a hysteretic transition between slow and fast fronts. Its contribution to the interaction between fronts can be attractive as well as repulsive and depends strongly on their direction of propagation. Based on this mechanism alone, pairs of fronts in binary-mixture convection are expected to form stable pulses if they travel backward, i.e. opposite to the linear group velocity. For positive velocities the interaction becomes attractive and destabilizes the pulses. This is in qualitative agreement with recent experimental results. This new localization mechanism does not require any dispersion in contrast to that operating in the complex Ginzburg-Landau equation.

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

    SciTech Connect

    Stephen M Bajorek; J. Schnelle

    2002-05-01

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

  14. Regularized moment equations for binary gas mixtures: Derivation and linear analysis

    NASA Astrophysics Data System (ADS)

    Gupta, Vinay Kumar; Struchtrup, Henning; Torrilhon, Manuel

    2016-04-01

    The applicability of the order of magnitude method [H. Struchtrup, "Stable transport equations for rarefied gases at high orders in the Knudsen number," Phys. Fluids 16, 3921-3934 (2004)] is extended to binary gas mixtures in order to derive various sets of equations—having minimum number of moments at a given order of accuracy in the Knudsen number—for binary mixtures of monatomic-inert-ideal gases interacting with the Maxwell interaction potential. For simplicity, the equations are derived in the linear regime up to third order accuracy in the Knudsen number. At zeroth order, the method produces the Euler equations; at first order, it results into the Fick, Navier-Stokes, and Fourier equations; at second order, it yields a set of 17 moment equations; and at third order, it leads to the regularized 17-moment equations. The transport coefficients in the Fick, Navier-Stokes, and Fourier equations obtained through order of magnitude method are compared with those obtained through the classical Chapman-Enskog expansion method. It is established that the different temperatures of different constituents do not play a role up to second order accurate theories in the Knudsen number, whereas they do contribute to third order accurate theory in the Knudsen number. Furthermore, it is found empirically that the zeroth, first, and second order accurate equations are linearly stable for all binary gas mixtures; however, although the third order accurate regularized 17-moment equations are linearly stable for most of the mixtures, they are linearly unstable for mixtures having extreme difference in molecular masses.

  15. Reduced viscosity interpreted for fluid/gas mixtures

    NASA Technical Reports Server (NTRS)

    Lewis, D. H.

    1981-01-01

    Analysis predicts decrease in fluid viscosity by comparing pressure profile of fluid/gas mixture with that of power-law fluid. Fluid is taken to be viscous, non-Newtonian, and incompressible; the gas to be ideal; the flow to be inertia-free, isothermal, and one dimensional. Analysis assists in design of flow systems for petroleum, coal, polymers, and other materials.

  16. Buoyancy-driven instability in a vertical cylinder: Binary fluids with Soret effect. I - General theory and stationary stability results

    NASA Technical Reports Server (NTRS)

    Hardin, G. R.; Sani, R. L.; Henry, D.; Roux, B.

    1990-01-01

    The buoyancy-driven instability of a monocomponent or binary fluid completely contained in a vertical circular cylinder is investigated, including the influence of the Soret effect for the binary mixture. The Boussinesq approximation is used, and the resulting linear stability problem is solved using a Galerkin technique. The analysis considers fluid mixtures ranging from gases to liquid metals. The flow structure is found to depend strongly on both the cylinder aspect ratio and the magnitude of the Soret effect. The predicted stability limits are shown to agree closely with experimental observations.

  17. HPTLC Determination of Three Gliptins in Binary Mixtures with Metformin.

    PubMed

    El-Kimary, Eman I; Hamdy, Dalia A; Mourad, Sara S; Barary, Magda A

    2016-01-01

    A single, simple, selective and validated high performance thin layer chromatographic (HPTLC) method was developed for the determination of either linagliptin (LGP), saxagliptin (SGP) or vildagliptin (VGP) in their binary mixtures with metformin (MET) in pharmaceutical preparations using environmentally preferable green mobile phase system. Separation was carried out on Merck HPTLC aluminum sheets of silica gel 60 F254 using methanol-0.5% w/v aqueous ammonium sulfate (8 : 2, v/v) as mobile phase. Densitometric measurement of the spots was performed at 225 nm for LGP/MET mixture and at 208 nm for both SGP/MET and VGP/MET mixtures. The linear regression analysis data were used for the regression line in the range of 0.05-0.5 µg/band for LGP and SGP and 0.2-2 and 5-40 µg/band for VGP and MET, respectively. The method was validated and showed good performances in terms of linearity, limits of detection and quantitation, precision, accuracy, selectivity and specificity. The calculated percentage relative error values and percentage relative standard deviation for intra- and interday precision studies did not exceed 2%. The developed method was satisfactorily applied for the analysis of pharmaceutical preparations and proved to be specific and accurate for the quality control of the cited drugs in their dosage forms. PMID:26223462

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

    PubMed

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

    2016-03-01

    Benzoic acid is a model compound for drug substances in pharmaceutical research. Process design requires information about thermodynamic phase behavior of benzoic acid and its mixtures with water and organic solvents. This work addresses phase equilibria that determine stability and solubility. In this work, Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) was used to model the phase behavior of aqueous and organic solutions containing benzoic acid and chlorobenzoic acids. Absolute vapor pressures of benzoic acid and 2-, 3-, and 4-chlorobenzoic acid from literature and from our own measurements were used to determine pure-component PC-SAFT parameters. Two binary interaction parameters between water and/or benzoic acid were used to model vapor-liquid and liquid-liquid equilibria of water and/or benzoic acid between 280 and 413 K. The PC-SAFT parameters and 1 binary interaction parameter were used to model aqueous solubility of the chlorobenzoic acids. Additionally, solubility of benzoic acid in organic solvents was predicted without using binary parameters. All results showed that pure-component parameters for benzoic acid and for the chlorobenzoic acids allowed for satisfying modeling phase equilibria. The modeling approach established in this work is a further step to screen solubility and to predict the whole phase region of mixtures containing pharmaceuticals. PMID:26886302

  19. A multiscale transport model for Lennard-Jones binary mixtures based on interfacial friction.

    PubMed

    Bhadauria, Ravi; Aluru, N R

    2016-08-21

    We propose a one-dimensional isothermal hydrodynamic transport model for non-reacting binary mixtures in slit shaped nanochannels. The coupled species momentum equations contain viscous dissipation and interspecies friction term of Maxwell-Stefan form. Species partial viscosity variations in the confinement are modeled using the van der Waals one fluid approximation and the local average density method. Species specific macroscopic friction coefficient based Robin boundary conditions are provided to capture the species wall slip effects. The value of this friction coefficient is computed using a species specific generalized Langevin formulation. Gravity driven flow of methane-hydrogen and methane-argon mixtures confined between graphene slit shaped nanochannels are considered as examples. The proposed model yields good quantitative agreement with the velocity profiles obtained from the non-equilibrium molecular dynamics simulations. The mixtures considered are observed to behave as single species pseudo fluid, with the interfacial friction displaying linear dependence on molar composition of the mixture. The results also indicate that the different species have different slip lengths, which remain unchanged with the channel width. PMID:27544095

  20. Calculating Mass Diffusion in High-Pressure Binary Fluids

    NASA Technical Reports Server (NTRS)

    Bellan, Josette; Harstad, Kenneth

    2004-01-01

    A comprehensive mathematical model of mass diffusion has been developed for binary fluids at high pressures, including critical and supercritical pressures. Heretofore, diverse expressions, valid for limited parameter ranges, have been used to correlate high-pressure binary mass-diffusion-coefficient data. This model will likely be especially useful in the computational simulation and analysis of combustion phenomena in diesel engines, gas turbines, and liquid rocket engines, wherein mass diffusion at high pressure plays a major role.

  1. Convection, evaporation, and condensation of binary fluids in confined geometries

    NASA Astrophysics Data System (ADS)

    Grigoriev, Roman; Qin, Tongran; Li, Yaofa; Chan, Benjamin; Yoda, Minami

    2011-11-01

    Phase change has a major effect on convection in liquid layers with a free surface. Significant latent heat generated at the free surface as a result of phase change can dramatically alter the interfacial temperature, inducing thermocapillary stresses. For binary fluids, differential evaporation leads to a variation in the concentration, and hence, induces solutocapillary stresses. This talk describes numerical and experimental studies of convection in alcohol-water mixtures due to a horizontal temperature gradient in the presence of phase change. Evaporation and condensation is known to be a notoriously difficult problem to model due to a poorly defined vapor transport problem which is strongly influenced by the presence/absence and flows of non-condensable gases (e.g., air). This issue is addressed by using a sealed cuvette heated at one end and cooled at the other. Both numerics and experiments show that, by adding or removing air from the cuvette, the direction of flow in a liquid layer covering the bottom of the cell can be reversed by emphasizing either thermocapillary or solutocapillary stresses. Supported by ONR.

  2. Elastic response and phase behavior in binary liquid crystal mixtures.

    PubMed

    Sidky, Hythem; Whitmer, Jonathan K

    2016-05-11

    Utilizing density-of-states simulations, we perform a full mapping of the phase behavior and elastic responses of binary liquid crystalline mixtures represented by the multicomponent Lebwohl-Lasher model. Our techniques are able to characterize the complete phase diagram, including nematic-nematic phase separation predicted by mean-field theories, but previously not observed in simulations. Mapping this phase diagram permits detailed study of elastic properties across the miscible nematic region. Importantly, we observe for the first time local phase separation and disordering driven by the application of small linear perturbations near the transition temperature and more significantly through nonlinear stresses. These findings are of key importance in systems of blended nematics which contain particulate inclusions, or are otherwise confined. PMID:27093188

  3. Slow spinodal decomposition in binary liquid mixtures of polymers

    NASA Astrophysics Data System (ADS)

    Izumitani, Tatsuo; Hashimoto, Takeji

    1985-10-01

    Isothermal demixing process of binary polymer mixtures of SBR (styrene-butadiene random copolymer) and polybutadiene at deep quench depths was investigated by time-resolved light scattering technique. The results indicated that the systems undergo extremely slow spinodal decomposition of the type as adequately characterized by Cahn's linearized theory in the early stage and in the small q regime (q≲qmax≂105 cm-1) covered in this experiment where q is wave number of growing fluctuations and qmax is the q value having maximum growth rate. The spinodal decomposition studied in this work was that in the diffusion-control regime, and in the slowest case of the decomposition, the early stage was found to extend up to about 80 min, corresponding to the reduced time τ about 2.7. The shortest reduced time achieved in this experiment is about 0.03.

  4. Cyclic Segregation State in Vertically Vibrated Binary Granular Mixtures

    NASA Astrophysics Data System (ADS)

    Shi, Qingfan; Pan, Beicheng; Lu, Changhong; Sun, Gang

    2014-01-01

    In this paper, the vertically vibrated binary granular mixtures at atmospheric pressure are studied experimentally. We find a nonstationary segregation state, of which the structure changes with time cyclically. The period of the cyclic segregation is measured and its variation with the vibration conditions is shown. The transition between the segregation states is also discussed, and a phase diagram on the plot of frequency against acceleration amplitude is given. In order to observe the effect of air flow in the segregation process, an alternative container with ventilated bottom is designed. Our experiments show that both regions of the Brazil nut segregation state and the cyclic segregation state shrink obviously by use of the latter container and disappear completely if the whole system is placed in vacuum. These results testify that the air pressure plays a positive role in both the Brazil nut effect and cyclic segregation.

  5. Evaporation of Ethanol-Water Binary Mixture Sessile Liquid Marbles.

    PubMed

    Ooi, Chin Hong; Bormashenko, Edward; Nguyen, Anh V; Evans, Geoffrey M; Dao, Dzung V; Nguyen, Nam-Trung

    2016-06-21

    Liquid marble is a liquid droplet coated with particles. Recently, the evaporation process of a sessile liquid marble using geometric measurements has attracted great attention from the research community. However, the lack of gravimetric measurement limits further insights into the physical changes of a liquid marble during the evaporation process. Moreover, the evaporation process of a marble containing a liquid binary mixture has not been reported before. The present paper investigates the effective density and the effective surface tension of an evaporating liquid marble that contains aqueous ethanol at relatively low concentrations. The effective density of an evaporating liquid marble is determined from the concurrent measurement of instantaneous mass and volume. Density measurements combined with surface profile fitting provide the effective surface tension of the marble. We found that the density and surface tension of an evaporating marble are significantly affected by the particle coating. PMID:27230102

  6. Particle segregation during explosive dispersal of binary particle mixtures

    NASA Astrophysics Data System (ADS)

    Frost, David; Loiseau, Jason; Marr, Bradley; Goroshin, Sam

    2015-06-01

    The explosive dispersal of a layer of solid particles surrounding a spherical high explosive charge generates a turbulent, multiphase flow. The shock-compacted particle layer typically fractures into discrete fragments which shed particles in their wakes forming jet-like structures. The tendency to form jets depends on the particle to explosive mass ratio and type of particles, with brittle particles (e.g., glass) as well as ductile metallic particles particularly susceptible to jet formation. In contrast, tough, dense (e.g., steel) particles are much less prone to forming jets. Experiments have been carried out to determine the degree of particle segregation that occurs during the explosive dispersal of a uniform binary mixture containing both ``jetting'' (silicon carbide) and ``non-jetting'' (steel) particles with various mass fractions of each particle type. During the dispersal of mixtures that contain predominantly non-jetting (steel) particles, the steel particles form a stable layer whereas the jetting (silicon carbide) particles rapidly segregate and form jets which lag behind the steel particles. As the fraction of silicon carbide particles increases, the jet structures dominate the particle motion and the steel particles are entrained into the jets.

  7. Percolation in binary and ternary mixtures of patchy colloids.

    PubMed

    Seiferling, Felix; de Las Heras, Daniel; Telo da Gama, Margarida M

    2016-08-21

    We investigate percolation in binary and ternary mixtures of patchy colloidal particles theoretically and using Monte Carlo simulations. Each particle has three identical patches, with distinct species having different types of patch. Theoretically we assume tree-like clusters and calculate the bonding probabilities using Wertheim's first-order perturbation theory for association. For ternary mixtures, we find up to eight fundamentally different percolated states. The states differ in terms of the species and pairs of species that have percolated. The strongest gel is a trigel or tricontinuous gel, in which each of the three species has percolated. The weakest gel is a mixed gel in which all of the particles have percolated, but none of the species percolates by itself. The competition between entropy of mixing and internal energy of bonding determines the stability of each state. Theoretical and simulation results are in very good agreement. The only significant difference is the temperature at the percolation threshold, which is overestimated by the theory due to the absence of correlations between bonds in the theoretical description. PMID:27544122

  8. Can the speed of sound be used for detecting critical states of fluid mixtures?

    PubMed

    Reis, João Carlos R; Ribeiro, Nuno; Aguiar-Ricardo, Ana

    2006-01-12

    The phenomenology of sound speeds in fluid mixtures is examined near and across critical lines. Using literature data for binary and ternary mixtures, it is shown that the ultrasound speed along an isotherm-isopleth passes through a minimum value in the form of an angular (or V-shaped) point at critical states. The relation between critical and pseudo-critical coordinates is discussed. For nonazeotropic fixed-composition fluid mixtures, pseudo-critical temperatures and pressures are found to be lower than the corresponding critical temperatures and pressures. The analysis shows that unstable pseudo-critical states cannot be detected using acoustic methods. The thermodynamic link between sound speeds and isochoric heat capacities is formulated and discussed in terms of p-Vm-T derivatives capable of being calculated using cubic equations of state. Based on the Griffiths-Wheeler theory of critical phenomena, a new specific link between critical sound speeds and critical isochoric heat capacities is deduced in terms of the rate of change of critical pressures and critical temperatures along the p-T projection of the critical locus of binary fluid mixtures. It is shown that the latter link can be used to obtain estimates of critical isochoric heat capacities from the experimental determination of critical speeds of sound. The applicability domain of the new link does not include binary systems at compositions along the critical line for which the rate of change in pressure with temperature changes sign. The new equation is combined with thermodynamic data to provide approximate numerical estimates for the speed of sound in two mixtures of carbon dioxide and ethane at different temperatures along their critical isochores. A clear decrease in the sound speed is found at critical points. A similar behavior is suggested by available critical heat capacity data for several binary fluid mixtures. Using an acoustic technique, the critical temperature and pressure were

  9. Determination of interfacial tension of binary mixtures from perturbative approaches

    NASA Astrophysics Data System (ADS)

    Martínez-Ruiz, F. J.; Blas, F. J.

    2015-05-01

    We determine the interfacial properties of mixtures of spherical Lennard-Jones molecules from direct simulation of the vapour-liquid interface. We consider mixtures with same molecular size but different dispersive energy parameter values. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janeček, presented recently by MacDowell and Blas and Martínez-Ruiz et al., to deal with the interaction energy and microscopic components of the pressure tensor. We have performed Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of mixtures of Lennard-Jones molecules with a cut-off distance rc = 3σ in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The vapour-liquid interfacial tension is also evaluated using three different procedures, the Irving-Kirkwood method, the difference between the macroscopic components of the pressure tensor, and the test-area methodology. This allows to check the validity of the recent extensions presented to deal with the contributions due to long-range corrections for intermolecular energy and pressure tensor in the case of binary mixtures. In addition to the pressure tensor and the surface tension, we also obtain density profiles, coexistence densities, and interfacial thickness as functions of pressure, at a given temperature. According to our results, the main effect of increasing the ratio between the dispersive energy parameters of the mixture, ε22/ε11, is to sharpen the vapour-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative maximum in the density profiles of the less volatile component at the interface. This maximum is related with adsorption or accumulation of these molecules at the interface, a direct consequence of stronger attractive interactions between these molecules in

  10. Many-fluid Onsager density functional theories for orientational ordering in mixtures of anisotropic hard-body fluids.

    PubMed

    Malijevský, Alexandr; Jackson, George; Varga, Szabolcs

    2008-10-14

    The extension of Onsager's second-virial theory [L. Onsager, Ann. N.Y. Acad. Sci. 51, 627 (1949)] for the orientational ordering of hard rods to mixtures of nonspherical hard bodies with finite length-to-breadth ratios is examined using the decoupling approximations of Parsons [Phys. Rev. A 19, 1225 (1979)] and Lee [J. Chem. Phys. 86, 6567 (1987); 89, 7036 (1988)]. Invariably the extension of the Parsons-Lee (PL) theory to mixtures has in the past involved a van der Waals one-fluid treatment in which the properties of the mixture are approximated by those of a reference one-component hard-sphere fluid with an effective diameter which depends on the composition of the mixture and the molecular parameters of the various components; commonly this is achieved by equating the molecular volumes of the effective hard sphere and of the components in the mixture and is referred to as the PL theory of mixtures. It is well known that a one-fluid treatment is not the most appropriate for the description of the thermodynamic properties of isotropic fluids, and inadequacies are often rectified with a many-fluid (MF) theory. Here, we examine MF theories which are developed from the virial theorem and the virial expansion of the Helmholtz free energy of anisotropic fluid mixtures. The use of the decoupling approximation of the pair distribution function at the level of a multicomponent hard-sphere reference system leads to our MF Parsons (MFP) theory of anisotropic mixtures. Alternatively the mapping of the virial coefficients of the hard-body mixtures onto those of equivalent hard-sphere systems leads to our MF Lee (MFL) theory. The description of the isotropic-nematic phase behavior of binary mixtures of hard Gaussian overlap particles is used to assess the adequacy of the four different theories, namely, the original second-virial theory of Onsager, the usual PL one-fluid theory, and the MF theories based on the Lee (MFL) and Parsons (MFP) approaches. A comparison with the

  11. Kinematic viscosities of binary and ternary liquid mixtures involving chloroform, 2-propanol, and 2-butanol at several temperatures

    SciTech Connect

    Sovilj, M.N.

    1995-09-01

    A knowledge of the viscosity of liquids and liquid mixtures is required for the solution of many engineering problems concerning heat transfer, mass transfer, and fluid flow. Experimental kinematic viscosity data are presented for chloroform + 2-propanol + 2-butanol and also for the three constituent binary mixtures at 20, 25, 30, and 35 C. The binary kinematic viscosities have been correlated by the empirical equation obtained by extension of the model of ideal kinematic viscosity of a liquid mixtures. Predicted data agree fairly well with the experimental observations. The ternary kinematic viscosities were fitted by correlations suggested by Al-Besharah et al., Vijayaraghavan et al., and Iulian et al. The best fit was obtained with the relation by Al-Besharah et al.

  12. Size segregation in dense, dry, inclined flows of binary granular mixtures

    NASA Astrophysics Data System (ADS)

    Larcher, Michele; Jenkins, James T.

    2013-04-01

    the simulation are not so small, we expect qualitative, rather than quantitative, agreement. A more complicated segregation theory is expected to provide improved results, but at the cost of the loss of transparency the present theory provides. References: 1. J. M. N. T. Gray & C. Ancey, "Multi-component particle-size segregation in shallow granular avalanches," J. Fluid Mech. 678, 535-588 (2011). 2. V. Garzo & J. W. Dufty, "Dense fluid transport for inelastic hard spheres," Phys. Rev. E 59, 5895-5911 (1999). 3. J. T. Jenkins & D. Berzi, "Dense inclined flows of inelastic spheres: Tests of an extension of kinetic theory," Gran. Mat. 12, 151-158 (2010). 4. J. T. Jenkins, J. T. & C. Zhang, "Kinetic theory for identical, frictional, nearly elastic spheres", Phys. Fluids 14, 12281235 (2002). 5. B. Ö. Arnarson & J. T. Jenkins, "Binary mixtures of inelastic spheres: simplified constitutive theory," Phys. Fluids 16, 4543-4550 (2004). 6. A.Tripathi & D. V. Khakhar, "Rheology of binary mixtures in the dense flow regime," Phys. Fluids 23, 113302 (2011).

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

    SciTech Connect

    Dan Wendt; Greg Mines

    2011-10-01

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

  14. Physiological modeling and extrapolation of pharmacokinetic interactions from binary to more complex chemical mixtures.

    PubMed

    Krishnan, Kannan; Haddad, Sami; Béliveau, Martin; Tardif, Robert

    2002-12-01

    The available data on binary interactions are yet to be considered within the context of mixture risk assessment because of our inability to predict the effect of a third or a fourth chemical in the mixture on the interacting binary pairs. Physiologically based pharmacokinetic (PBPK) models represent a potentially useful framework for predicting the consequences of interactions in mixtures of increasing complexity. This article highlights the conceptual basis and validity of PBPK models for extrapolating the occurrence and magnitude of interactions from binary to more complex chemical mixtures. The methodology involves the development of PBPK models for all mixture components and interconnecting them at the level of the tissue where the interaction is occurring. Once all component models are interconnected at the binary level, the PBPK framework simulates the kinetics of all mixture components, accounting for the interactions occurring at various levels in more complex mixtures. This aspect was validated by comparing the simulations of a binary interaction-based PBPK model with experimental data on the inhalation kinetics of m-xylene, toluene, ethyl benzene, dichloromethane, and benzene in mixtures of varying composition and complexity. The ability to predict the kinetics of chemicals in complex mixtures by accounting for binary interactions alone within a PBPK model is a significant step toward the development of interaction-based risk assessment for chemical mixtures. PMID:12634130

  15. Mixing Enthalpy for Binary Mixtures Containing Ionic Liquids.

    PubMed

    Podgoršek, A; Jacquemin, J; Pádua, A A H; Costa Gomes, M F

    2016-05-25

    A complete review of the published data on the mixing enthalpies of mixtures containing ionic liquids, measured directly using calorimetric techniques, is presented in this paper. The field of ionic liquids is very active and a number of research groups in the world are dealing with different applications of these fluids in the fields of chemistry, chemical engineering, energy, gas storage and separation or materials science. In all these fields, the knowledge of the energetics of mixing is capital both to understand the interactions between these fluids and the different substrates and also to establish the energy and environmental cost of possible applications. Due to the relative novelty of the field, the published data is sometimes controversial and recent reviews are fragmentary and do not represent a set of reliable data. This fact can be attributed to different reasons: (i) difficulties in controlling the purity and stability of the ionic liquid samples; (ii) availability of accurate experimental techniques, appropriate for the measurement of viscous, charged, complex fluids; and (iii) choice of an appropriate clear thermodynamic formalism to be used by an interdisciplinary scientific community. In this paper, we address all these points and propose a critical review of the published data, advise on the most appropriate apparatus and experimental procedure to measure this type of physical-chemical data in ionic liquids as well as the way to treat the information obtained by an appropriate thermodynamic formalism. PMID:27144455

  16. Direct contact, binary fluid geothermal boiler

    DOEpatents

    Rapier, P.M.

    1979-12-27

    Energy is extracted from geothermal brines by direct contact with a working fluid such as isobutane which is immiscible with the brine in a geothermal boiler. The geothermal boiler provides a distributor arrangement which efficiently contacts geothermal brine with the isobutane in order to prevent the entrainment of geothermal brine in the isobutane vapor which is directed to a turbine. Accordingly the problem of brine carryover through the turbine causing corrosion and scaling thereof is eliminated. Additionally the heat exchanger includes straightening vanes for preventing startup and other temporary fluctuations in the transitional zone of the boiler from causing brine carryover into the turbine. Also a screen is provided in the heat exchanger to coalesce the working fluid and to assist in defining the location of the transitional zone where the geothermal brine and the isobutane are initially mixed.

  17. Direct contact, binary fluid geothermal boiler

    DOEpatents

    Rapier, Pascal M.

    1982-01-01

    Energy is extracted from geothermal brines by direct contact with a working fluid such as isobutane which is immiscible with the brine in a geothermal boiler. The geothermal boiler provides a distributor arrangement which efficiently contacts geothermal brine with the isobutane in order to prevent the entrainment of geothermal brine in the isobutane vapor which is directed to a turbine. Accordingly the problem of brine carry-over through the turbine causes corrosion and scaling thereof is eliminated. Additionally the heat exchanger includes straightening vanes for preventing startup and other temporary fluctuations in the transitional zone of the boiler from causing brine carryover into the turbine. Also a screen is provided in the heat exchanger to coalesce the working fluid and to assist in defining the location of the transitional zone where the geothermal brine and the isobutane are initially mixed.

  18. Superlattice Formation in Binary Mixtures of Block Copolymer Micelles

    SciTech Connect

    Abbas, Sayeed; Lodge, Timothy P.

    2008-08-26

    Two distinct diblock copolymers, poly(styrene-b-isoprene) (SI) and poly(styrene-b-dimethylsiloxane) (SD), were codissolved at various concentrations in the polystyrene selective solvent diethyl phthalate. Two SI diblocks, with block molar masses of 12000-33000 and 30000-33000, and two SD diblocks, with block molar masses of 19000-6000 and 16000-9000, were employed. The size ratio of the smaller SD micelles (S) to the larger SI micelles (L) varied from approximately 0.5 to 0.6, based on hydrodynamic radii determined by dynamic light scattering on dilute solutions containing only one polymer component. Due to incompatibility between the polyisoprene and polydimethylsiloxane blocks, a binary mixture of distinct SI and SD micelles was formed in each mixed solution, as confirmed by cryogenic transmission electron microscopy. When the total concentration of polymer was increased to 20--30%, the micelles adopted a superlattice structure. Small angle X-ray scattering revealed the lattice to be the full LS{sub 13} superlattice (space group Fm{sub 3}c) in all cases, with unit cell dimensions in excess of 145 nm. A coexistent face-centered cubic phase composed of SD micelles was also observed when the number ratio of S to L micelles was large.

  19. Dissipation process of binary gas mixtures in thermally relativistic flow

    NASA Astrophysics Data System (ADS)

    Yano, Ryosuke

    2016-04-01

    In this paper, dissipation process of binary gas mixtures in thermally relativistic flows is discussed with focus on characteristics of diffusion flux. As an analytical object, we consider the relativistic rarefied-shock layer around a triangular prism. Numerical results for the diffusion flux are compared with the Navier–Stokes–Fourier (NSF) order approximation of the diffusion flux, which is calculated using the diffusion and thermal-diffusion coefficients by Kox et al (1976 Physica A 84 165–74). In the case of uniform flow with small Lorentz contraction, the diffusion flux, which is obtained by calculating the relativistic Boltzmann equation, is roughly approximated by the NSF order approximation inside the shock wave, whereas the diffusion flux in the vicinity of a wall is markedly different from the NSF order approximation. The magnitude of the diffusion flux, which is obtained by calculating the relativistic Boltzmann equation, is similar to that of the NSF order approximation inside the shock wave, unlike the pressure deviator, dynamic pressure and heat flux, even when the Lorentz contraction in the uniform flow becomes large, because the diffusion flux does not depend on the generic Knudsen number from its definition in Eckart’s frame. Finally, the author concludes that for accuracy diffusion flux must be calculated using the particle four-flow and averaged four velocity, which are formulated using the four velocity defined by each species of hard spherical particles.

  20. Decomposition and interface evolution in films of binary mixtures

    NASA Astrophysics Data System (ADS)

    Madruga, Santiago; Bribesh, Fathi; Thiele, Uwe

    2011-11-01

    Model-H describes the coupled transport of concentration and momentum in binary mixtures such as polymer blends. Films of polymer blends are used in technological applications that involve coatings or the creation of structural functional layers. We use an extended version of the model-H for free evolving surfaces to analyze the stability of vertically stratified base states of polymer blends on a solid substrate. We determine the bifurcation diagram of the films by studying their free energy, and L2-norms of surface deflection and concentration field. We provide results for selected mean film thickness with and without energetic bias at the free surface and discuss the role of composition in extended and laterally bounded systems. In addition, we show that the inclusion of convective transport leads to new mechanisms of instability as compared to the purely diffusive case,. S.M. acknowledges support via FP7 Marie Curie Reintegration Grant (PERG04-GA-2008-234384), and U.T. by EU via FP7 (PITN-GA-2008-214919).

  1. Concentration fluctuations in fluid mixtures. II.

    PubMed

    Mazo, Robert M; Matteoli, Enrico; Smith, Paul E

    2009-06-21

    The method developed in a previous paper [R. Mazo, J. Chem. Phys. 129, 154101 (2008)] for extracting information on the size of relative fluctuations in multicomponent systems is tested on ten binary systems and one ternary system. For the binary systems, it is found that the approximation works well for mole fractions in the range of 0.15-0.85 in most cases. For the ternary case, the method inherently yields less information and is valid only over a more restricted range for the case studied (chloroform-methanol-acetone). It is found that the predicted ratio of number fluctuations is approximately equal to the ratio of molar volumes of the components. PMID:19548740

  2. Binary and ternary gas mixtures for use in glow discharge closing switches

    DOEpatents

    Hunter, S.R.; Christophorou, L.G.

    1988-04-27

    Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue if the combines physio-electric properties of the mixture components. 9 figs.

  3. New thermal diffusion coefficient measurements for hydrocarbon binary mixtures: viscosity and composition dependency.

    PubMed

    Leahy-Dios, Alana; Zhuo, Lin; Firoozabadi, Abbas

    2008-05-22

    New thermal diffusion coefficients of binary mixtures are measured for n-decane-n-alkanes and 1-methylnaphthalene-n-alkanes with 25 and 75 wt % at 25 degrees C and 1 atm using the thermogravitational column technique. The alkanes range from n-pentane to n-eicosane. The new results confirm the recently observed nonmonotonic behavior of thermal diffusion coefficients with molecular weight for binary mixtures of n-decane- n-alkanes at the compositions studied. In this work, the mobility and disparity effects on thermal diffusion coefficients are quantified for binary mixtures. We also show for the binary mixtures studied that the thermal diffusion coefficients and mixture viscosity, both nonequilibrium properties, are closely related. PMID:18438988

  4. The behavioral detection of binary mixtures of amino acids and their individual components by catfish.

    PubMed

    Valentincic, T; Kralj, J; Stenovec, M; Koce, A; Caprio, J

    2000-11-01

    The question of whether a binary mixture of amino acids is detected by fish as a unique odor or whether the qualities of the individual components are retained within the mixture was investigated in channel (Ictalurus punctatus) and brown bullhead (Ameiurus nebulosus) catfish, species that are highly similar in their olfactory receptor and behavioral responses to amino acid odorants. Catfish respond with greater appetitive food-searching (swimming) behavior to amino-acid-conditioned olfactory stimuli than to non-conditioned amino acids. In the present study, appetitive food-searching behavior was measured by counting the number of turns of the fish greater than 90 degrees within 90 s of stimulus onset and, in some tests, by video tracking. The two methods yielded highly correlated results. Channel catfish conditioned to a binary mixture composed of equimolar amino acids responded with searching behavior to the amino acid that produced the larger-amplitude electro-olfactogram (EOG) response as they did to the conditioned stimulus. In further studies, bullhead catfish were conditioned either to a binary mixture or to a single amino acid and tested to determine whether a binary mixture was detected as the component evoking the larger EOG response. In all initial tests (trials 1-3), the more stimulatory component of a binary mixture was not discriminated from the binary mixture; however, the less stimulatory component and all other amino acids tested were discriminated from the mixture. By increasing the concentration of the originally less potent component in a binary mixture, making it the more stimulatory compound, it was now detected as not significantly different from the binary mixture; however, the original more potent component (i.e. now the less potent stimulus) was detected as significantly different from the mixture. However, with 5-10 additional discrimination training trials, the less stimulatory component in a binary mixture influenced the perception of

  5. Thermodynamic stability of soft-core Lennard-Jones fluids and their mixtures

    NASA Astrophysics Data System (ADS)

    Heyes, D. M.

    2010-02-01

    Thermodynamic stability of model single component and binary mixture fluids is considered with the Fisher-Ruelle (FR) stability criteria, which apply in the thermodynamic limit, and molecular dynamics (MD) simulation for finite periodic systems. Two soft-core potential forms are considered, ϕ6,1(r)=4[1/(a +r6)2-1/(a +r6)] and ϕ2,3(r)=4[1/(a +r2)6-1/(a+r2)3], where r is the separation between the particle centers. According to FR these are unstable in the thermodynamic limit if a >ac=1/2 and a >ac=(7/32)1/3, respectively. MD simulations with single-component particles show, however, that this transition on typical simulation times is more gradual for finite periodic systems with variation in a on either side of ac. For a binary mixtures of (stable) Lennard-Jones and ϕ2,3 particles, phase separation into regions richer in one component than the other was observed for a Binary systems with interactions similar to a model polymer-colloid fluid in the "depletion" limit equilibrated particularly slowly for a >ac, with the unstable component in the mixture breaking up into many long-lived microdroplets which conferred apparent equilibrium thermodynamic behavior (i.e., negligible N-dependence of the average potential energy per particle) in this period.

  6. Bubble-Turbulence Interaction in Binary Fluids

    NASA Astrophysics Data System (ADS)

    F, Battista; M, Froio; F, Picano; P, Gualtieri; M, Casciola C.

    2011-12-01

    Multiphase flows represent a central issue in many natural, biological and industrial fields. For instance, liquid jets vaporization, petroleum refining and boiling, emulsions in pharmaceutical applications, are all characterized by a disperse phase, such as solid particles or liquid bubbles, which evolve in a Newtonian carrier fluid. Features such as the global evaporation rates of liquid fuels in air or the homogeneity of the emulsions are controlled by the finest interaction details occurring between the two phases. In this paper we study the rising motion of a bubble induced by buoyancy in a viscous fluid. Usually this issue is tackled by tracking the bubble interface by means of sharp interface methods. However this approach requires "ad hoc" techniques to describe changes in the topological features of the deforming interface and to enforce the mass preservation. Here the problem is addressed by using a different philosophy based on a diffuse interface method, that allows a straightforward analysis of complex phenomena such as bubbles coalescence and break up without any numerical expedient. The model we adopt, funded on a solid thermodynamical and physical base, relies on the Cahn-Hilliard equation for the disperse phase, see Cahn & Hilliard (1958) and Elliott & Songmu (1986).

  7. Equilibrium equation of state of a hard sphere binary mixture at very large densities using replica exchange Monte Carlo simulations.

    PubMed

    Odriozola, Gerardo; Berthier, Ludovic

    2011-02-01

    We use replica exchange Monte Carlo simulations to measure the equilibrium equation of state of the disordered fluid state for a binary hard sphere mixture up to very large densities where standard Monte Carlo simulations do not easily reach thermal equilibrium. For the moderate system sizes we use (up to N = 100), we find no sign of a pressure discontinuity near the location of dynamic glass singularities extrapolated using either algebraic or simple exponential divergences, suggesting they do not correspond to genuine thermodynamic glass transitions. Several scenarios are proposed for the fate of the fluid state in the thermodynamic limit. PMID:21303135

  8. Many-Body Effects on the Thermodynamics of Fluids, Mixtures, and Nanoconfined Fluids.

    PubMed

    Desgranges, Caroline; Delhommelle, Jerome

    2015-11-10

    Using expanded Wang-Landau simulations, we show that taking into account the many-body interactions results in sharp changes in the grand-canonical partition functions of single-component systems, binary mixtures, and nanoconfined fluids. The many-body contribution, modeled with a 3-body Axilrod-Teller-Muto term, results in shifts toward higher chemical potentials of the phase transitions from low-density phases to high-density phases and accounts for deviations of more than, e.g., 20% of the value of the partition function for a single-component liquid. Using the statistical mechanics formalism, we analyze how this contribution has a strong impact on some properties (e.g., pressure, coexisting densities, and enthalpy) and a moderate impact on others (e.g., Gibbs or Helmholtz free energies). We also characterize the effect of the 3-body terms on adsorption isotherms and adsorption thermodynamic properties, thereby providing a full picture of the effect of the 3-body contribution on the thermodynamics of nanoconfined fluids. PMID:26574329

  9. Direct observation in 3d of structural crossover in binary hard sphere mixtures

    NASA Astrophysics Data System (ADS)

    Statt, Antonia; Pinchaipat, Rattachai; Turci, Francesco; Evans, Robert; Royall, C. Patrick

    2016-04-01

    For binary fluid mixtures of spherical particles in which the two species are sufficiently different in size, the dominant wavelength of oscillations of the pair correlation functions is predicted to change from roughly the diameter of the large species to that of the small species along a sharp crossover line in the phase diagram [C. Grodon et al., J. Chem. Phys. 121, 7869 (2004)]. Using particle-resolved colloid experiments in 3d we demonstrate that crossover exists and that its location in the phase diagram is in quantitative agreement with the results of both theory and our Monte-Carlo simulations. In contrast with previous work [J. Baumgartl et al., Phys. Rev. Lett. 98, 198303 (2007)], where a correspondence was drawn between crossover and percolation of both species, in our 3d study we find that structural crossover is unrelated to percolation.

  10. Advanced statistical analysis of Raman spectroscopic data for the identification of body fluid traces: semen and blood mixtures.

    PubMed

    Sikirzhytski, Vitali; Sikirzhytskaya, Aliaksandra; Lednev, Igor K

    2012-10-10

    Conventional confirmatory biochemical tests used in the forensic analysis of body fluid traces found at a crime scene are destructive and not universal. Recently, we reported on the application of near-infrared (NIR) Raman microspectroscopy for non-destructive confirmatory identification of pure blood, saliva, semen, vaginal fluid and sweat. Here we expand the method to include dry mixtures of semen and blood. A classification algorithm was developed for differentiating pure body fluids and their mixtures. The classification methodology is based on an effective combination of Support Vector Machine (SVM) regression (data selection) and SVM Discriminant Analysis of preprocessed experimental Raman spectra collected using an automatic mapping of the sample. This extensive cross-validation of the obtained results demonstrated that the detection limit of the minor contributor is as low as a few percent. The developed methodology can be further expanded to any binary mixture of complex solutions, including but not limited to mixtures of other body fluids. PMID:22824473

  11. Thermohydrodynamics of boiling in binary compressible fluids.

    PubMed

    Liu, Jiewei; Do-Quang, Minh; Amberg, Gustav

    2015-10-01

    We numerically study the thermohydrodynamics of boiling for a CO(2) + ethanol mixture on lyophilic and lyophobic surfaces in both closed and open systems, based on a diffuse interface model for a two-component system. The corresponding wetting boundary conditions for an isothermal system are proposed and verified in this paper. New phenomena due to the addition of another component, mainly the preferential evaporation of the more volatile component, are observed. In the open system and the closed system, the physical process shows very different characteristics. In the open system, except for the movement of the contact line, the qualitative features are rather similar for lyophobic and lyophilic surfaces. In the closed system, the vortices that are observed on a lyophobic surface are not seen on a lyophilic surface. More sophisticated wetting boundary conditions for nonisothermal, two-component systems might need to be further developed, taking into account the variations of density, temperature, and surface tension near the wall, while numerical results show that the boundary conditions proposed here also work well even in boiling, where the temperature is nonuniform. PMID:26565342

  12. Taste responses to binary mixtures of amino acids in the sea catfish, Arius felis.

    PubMed

    Kohbara, J; Caprio, J

    1996-02-01

    In vivo electrophysiological recordings in the sea catfish, Arius felis, showed that the magnitude of the integrated facial taste responses to binary mixtures of amino acids was predictable with knowledge obtained from previous cross-adaptation studies of the relative independence of the respective binding sites of the component stimuli. Each component from which equal aliquots were drawn to form the mixtures was adjusted in concentration to provide for approximately equal response magnitudes. The magnitude of the taste responses to binary mixtures whose component amino acids showed minimal cross-adaptation was significantly greater than that to binary mixtures whose components exhibited considerable cross-reactivity. There was no evidence for mixture suppression. The relative magnitude of the taste responses in the sea catfish to stimulus mixtures is similar to that previously reported for olfactory receptor responses in the freshwater channel catfish and chorda tympani taste responses in the hamster. PMID:8646491

  13. Collective motion of binary self-propelled particle mixtures

    NASA Astrophysics Data System (ADS)

    Menzel, Andreas M.

    2012-02-01

    In this study, we investigate the phenomenon of collective motion in binary mixtures of self-propelled particles. More precisely, we consider two particle species, each of which consisting of pointlike objects that propel with a velocity of constant magnitude. Within each species, the particles try to achieve polar alignment of their velocity vectors, whereas we analyze the cases of preferred polar, antiparallel, as well as perpendicular alignment between particles of different species. Our focus is on the effect that the interplay between the two species has on the threshold densities for the onset of collective motion and on the nature of the solutions above onset. For this purpose, we start from suitable Langevin equations in the particle picture, from which we derive mean field equations of the Fokker-Planck type and finally macroscopic continuum field equations. We perform particle simulations of the Langevin equations and linear stability analyses of the Fokker-Planck and macroscopic continuum equations, and we numerically solve the Fokker-Planck equations. Both spatially homogeneous and inhomogeneous solutions are investigated, where the latter correspond to stripelike flocks of collectively moving particles. In general, the interaction between the two species reduces the threshold density for the onset of collective motion of each species. However, this interaction also reduces the spatial organization in the stripelike flocks. The case that shows the most interesting behavior is the one of preferred perpendicular alignment between different species. There a competition between polar and truly nematic orientational ordering of the velocity vectors takes place within each particle species. Finally, depending on the alignment rule for particles of different species and within certain ranges of particle densities, identical and inverted spatial density profiles can be found for the two particle species. The system under investigation is confined to two spatial

  14. Shear viscosity for a heated granular binary mixture at low density.

    PubMed

    Montanero, José María; Garzó, Vicente

    2003-02-01

    The shear viscosity for a heated granular binary mixture of smooth hard spheres at low density is analyzed. The mixture is heated by the action of an external driving force (Gaussian thermostat) that exactly compensates for cooling effects associated with the dissipation of collisions. The study is made from the Boltzmann kinetic theory, which is solved by using two complementary approaches. First, a normal solution of the Boltzmann equation via the Chapman-Enskog method is obtained up to first order in the spatial gradients. The mass, heat, and momentum fluxes are determined and the corresponding transport coefficients identified. As in the free cooling case [V. Garzó and J. W. Dufty, Phys. Fluids 14, 1476 (2002)], practical evaluation requires a Sonine polynomial approximation, and here it is mainly illustrated in the case of the shear viscosity. Second, to check the accuracy of the Chapman-Enskog results, the Boltzmann equation is numerically solved by means of the direct simulation Monte Carlo method. The simulation is performed for a system under uniform shear flow, using the Gaussian thermostat to control inelastic cooling. The comparison shows an excellent agreement between theory and simulation over a wide range of values of the restitution coefficients and the parameters of the mixture (masses, concentrations, and sizes). PMID:12636672

  15. Phase behavior and mixing-demixing transitions in binary liquid mixtures with spherical and non-spherical interactions

    NASA Astrophysics Data System (ADS)

    Diaz-Herrera, Enrique; Ramirez-Santiago, Guillermo; Moreno-Razo, J. Antonio

    2006-03-01

    We have carried out extensive equilibrium molecular dynamics simulations to study the temperature versus density phase diagrams and the mixing-demixing transition line in fluid equimolar binary mixtures modeled by: (i) Lennard-Jones, (ii) Stock-Mayer, and (iii) Gay- Berne molecular interactions. These studies are performed as function of miscibility parameter, α= ɛAB/ ɛAA, where ɛAA= ɛBB and ɛAB stand for the parameters related to the attractive part of the intermolecular interactions for similar and dissimilar particles, respectively. When the miscibility of the Lennard-Jones mixture varies in the range 0 < α< 1, a continuous critical line of consolute points Tcons(ρ), appears. This line intersects the liquid-vapor coexistence curve at different positions depending on the values of α, yielding mainly three different topologies for the phase diagrams. These results are in qualitative agreement to those found previously for square well and hard-core Yukawa binary mixtures. We also carry out a detailed study of the liquid-liquid interfacial and liquid-vapor surface tensions, as function of temperature and miscibility as well as its relationship to the topologies of the phase diagrams. Similar studies and analysis are also performed for Stock-Mayer and Gay-Berne binary mixtures.

  16. MULTISUBSTRATE BIODEGRADATION KINETICS FOR BINARY AND COMPLEX MIXTURES OF POLYCYCLIC AROMATIC HYDROCARBONS

    EPA Science Inventory

    Biodegradation kinetics were studied for binary and complex mixtures of nine polycyclic aromatic hydrocarbons (PAHs): naphthalene, 1-methylnaphthalene, 2-methylnaphthalene, 2-ethylnaphthalene, phenanthrene, anthracene, pyrene, fluorene and fluoranthene. Discrepancies between the ...

  17. Thermal transport properties of ethylene glycol/N-methylformamide binary mixture based CuO nanofluid

    NASA Astrophysics Data System (ADS)

    Gopalakrishnan, M.; Kiruba, R.; Jeevaraj, A. Kingson Solomon

    2015-06-01

    In this present investigation, we have synthesized copper oxide nanoparticles by solvothermal method and analyzed their rheological behavior and thermal conductivity properties in binary base fluids (Ethylene Glycol+N-Methylformamide) and CuO binary nanofluid at different temperature. The crystalline nature and morphological properties of prepared CuO nanoparticles were characterized using XRD and SEM analysis respectively. The influence of CuO nanoparticles increases the thermal conductivity of binary base fluids. The results suggested that prepared binary nanofluids can be applicable in heat transfer.

  18. CO2-based mixtures as working fluids for geothermal turbines.

    SciTech Connect

    Wright, Steven Alan; Conboy, Thomas M.; Ames, David E.

    2012-01-01

    Sandia National Laboratories is investigating advanced Brayton cycles using supercritical working fluids for application to a variety of heat sources, including geothermal, solar, fossil, and nuclear power. This work is centered on the supercritical CO{sub 2} (S-CO{sub 2}) power conversion cycle, which has the potential for high efficiency in the temperature range of interest for these heat sources and is very compact-a feature likely to reduce capital costs. One promising approach is the use of CO{sub 2}-based supercritical fluid mixtures. The introduction of additives to CO{sub 2} alters the equation of state and the critical point of the resultant mixture. A series of tests was carried out using Sandia's supercritical fluid compression loop that confirmed the ability of different additives to increase or lower the critical point of CO{sub 2}. Testing also demonstrated that, above the modified critical point, these mixtures can be compressed in a turbocompressor as a single-phase homogenous mixture. Comparisons of experimental data to the National Institute of Standards and Technology (NIST) Reference Fluid Thermodynamic and Transport Properties (REFPROP) Standard Reference Database predictions varied depending on the fluid. Although the pressure, density, and temperature (p, {rho}, T) data for all tested fluids matched fairly well to REFPROP in most regions, the critical temperature was often inaccurate. In these cases, outside literature was found to provide further insight and to qualitatively confirm the validity of experimental findings for the present investigation.

  19. Diffuse interface method for a compressible binary fluid

    NASA Astrophysics Data System (ADS)

    Liu, Jiewei; Amberg, Gustav; Do-Quang, Minh

    2016-01-01

    Multicomponent, multiphase, compressible flows are very important in real life, as well as in scientific research, while their modeling is in an early stage. In this paper, we propose a diffuse interface model for compressible binary mixtures, based on the balance of mass, momentum, energy, and the second law of thermodynamics. We show both analytically and numerically that this model is able to describe the phase equilibrium for a real binary mixture (CO2 + ethanol is considered in this paper) very well by adjusting the parameter which measures the attraction force between molecules of the two components in the model. We also show that the calculated surface tension of the CO2 + ethanol mixture at different concentrations match measurements in the literature when the mixing capillary coefficient is taken to be the geometric mean of the capillary coefficient of each component. Three different cases of two droplets in a shear flow, with the same or different concentration, are simulated, showing that the higher concentration of CO2 the smaller the surface tension and the easier the drop deforms.

  20. Diffuse interface method for a compressible binary fluid.

    PubMed

    Liu, Jiewei; Amberg, Gustav; Do-Quang, Minh

    2016-01-01

    Multicomponent, multiphase, compressible flows are very important in real life, as well as in scientific research, while their modeling is in an early stage. In this paper, we propose a diffuse interface model for compressible binary mixtures, based on the balance of mass, momentum, energy, and the second law of thermodynamics. We show both analytically and numerically that this model is able to describe the phase equilibrium for a real binary mixture (CO_{2} + ethanol is considered in this paper) very well by adjusting the parameter which measures the attraction force between molecules of the two components in the model. We also show that the calculated surface tension of the CO_{2} + ethanol mixture at different concentrations match measurements in the literature when the mixing capillary coefficient is taken to be the geometric mean of the capillary coefficient of each component. Three different cases of two droplets in a shear flow, with the same or different concentration, are simulated, showing that the higher concentration of CO_{2} the smaller the surface tension and the easier the drop deforms. PMID:26871168

  1. Combining ability of binary mixtures of introduced, cool- and warm-season grasses and legumes.

    Technology Transfer Automated Retrieval System (TEKTRAN)

    When two forage species are grown together they can be compatible, compete, or interact with each other. We estimated the combining ability effects for introduced, cool- and warm-season grasses and legumes grown in binary mixtures in NW Oklahoma. Six pure stands and 15 mixtures were transplanted int...

  2. A fluidic device for measuring constituent masses of a flowing binary gas mixture

    NASA Technical Reports Server (NTRS)

    Prokopius, P. R.

    1973-01-01

    A continuous reading mass flow device was developed to measure the component flow of a binary gas mixture. The basic components of the device are a fluidic humidity sensor and a specially designed flow calorimeter. These components provide readings of gas mixture ratio, mixture heat capacity, heat dissipated by the calorimeter and the gas temperature rise across the calorimeter. These parameter values, applied in the general definitions of specific heat capacity and the heat capacity of a gas mixture, produce calculated component flow rates of the mixture being metered. A test program was conducted to evaluate both the steady state and dynamic performance of the device.

  3. 2-D traveling-wave patterns in binary fluid convection

    SciTech Connect

    Surko, C.M.; Porta, A.L.

    1996-12-31

    An overview is presented of recent experiments designed to study two-dimensional traveling-wave convection in binary fluid convection in a large aspect ratio container. Disordered patterns are observed when convection is initiated. As time proceeds, they evolve to more ordered patterns, consisting of several domains of traveling-waves separated by well-defined domain boundaries. The detailed character of the patterns depends sensitively on the Rayleigh number. Numerical techniques are described which were developed to provide a quantitative characterization of the traveling-wave patterns. Applications of complex demodulation techniques are also described, which make a detailed study of the structure and dynamics of the domain boundaries possible.

  4. Two-fluid theory and thermodynamic properties of liquid mixtures: Application to simple mixtures of nonelectrolytes

    PubMed Central

    Brandani, V.; Prausnitz, J. M.

    1982-01-01

    In this last of three articles describing a two-fluid theory of liquid mixtures, the important result is a derivation of local compositions to describe nonrandomness (clustering) of mixing. The model is applied to the system methane/tetrafluoromethane. Although it appears that the two-fluid theory with local compositions may provide an improvement over random-mixing theories, it is likely that the use of local compositions overestimates the effect of nonrandomness. PMID:16593228

  5. Heterogeneity in binary mixtures of dimethyl sulfoxide and glycerol: fluorescence correlation spectroscopy.

    PubMed

    Chattoraj, Shyamtanu; Chowdhury, Rajdeep; Ghosh, Shirsendu; Bhattacharyya, Kankan

    2013-06-01

    Diffusion of four coumarin dyes in a binary mixture of dimethyl sulfoxide (DMSO) and glycerol is studied using fluorescence correlation spectroscopy (FCS). The coumarin dyes are C151, C152, C480, and C481. In pure DMSO, all the four dyes exhibit a very narrow (almost uni-modal) distribution of diffusion coefficient (Dt). In contrast, in the binary mixtures all of them display a bimodal distribution of Dt with broadly two components. One of the components of D(t) corresponds to the bulk viscosity. The other one is similar to that in pure DMSO. This clearly indicates the presence of two distinctly different nano-domains inside the binary mixture. In the first, the micro-environment of the solute consists of both DMSO and glycerol approximately at the bulk composition. The other corresponds to a situation where the first layer of the solute consists of DMSO only. The burst integrated fluorescence lifetime (BIFL) analysis also indicates presence of two micro-environments one of which resembles DMSO. The relative contribution of the DMSO-like environment obtained from the BIFL analysis is much larger than that obtained from FCS measurements. It is proposed that BIFL corresponds to an instantaneous environment in a small region (a few nm) around the probe. FCS, on the contrary, describes the long time trajectory of the probes in a region of dimension ~200 nm. The results are explained in terms of the theory of binary mixtures and recent simulations of binary mixtures containing DMSO. PMID:23758388

  6. Heterogeneity in binary mixtures of dimethyl sulfoxide and glycerol: Fluorescence correlation spectroscopy

    NASA Astrophysics Data System (ADS)

    Chattoraj, Shyamtanu; Chowdhury, Rajdeep; Ghosh, Shirsendu; Bhattacharyya, Kankan

    2013-06-01

    Diffusion of four coumarin dyes in a binary mixture of dimethyl sulfoxide (DMSO) and glycerol is studied using fluorescence correlation spectroscopy (FCS). The coumarin dyes are C151, C152, C480, and C481. In pure DMSO, all the four dyes exhibit a very narrow (almost uni-modal) distribution of diffusion coefficient (Dt). In contrast, in the binary mixtures all of them display a bimodal distribution of Dt with broadly two components. One of the components of Dt corresponds to the bulk viscosity. The other one is similar to that in pure DMSO. This clearly indicates the presence of two distinctly different nano-domains inside the binary mixture. In the first, the micro-environment of the solute consists of both DMSO and glycerol approximately at the bulk composition. The other corresponds to a situation where the first layer of the solute consists of DMSO only. The burst integrated fluorescence lifetime (BIFL) analysis also indicates presence of two micro-environments one of which resembles DMSO. The relative contribution of the DMSO-like environment obtained from the BIFL analysis is much larger than that obtained from FCS measurements. It is proposed that BIFL corresponds to an instantaneous environment in a small region (a few nm) around the probe. FCS, on the contrary, describes the long time trajectory of the probes in a region of dimension ˜200 nm. The results are explained in terms of the theory of binary mixtures and recent simulations of binary mixtures containing DMSO.

  7. Phase behavior of colloidal dimers and hydrodynamic instabilities in binary mixtures

    NASA Astrophysics Data System (ADS)

    Milinkovic, K.

    2013-05-01

    sphere diameter ratio, predicting stable isotropic fluid, plastic crystal and aperiodic crystalline phases. The crystalline phases found to be stable for a given diameter ratio at high densities correspond to the close packed structures of equimolar binary hard-sphere mixtures with the same diameter ratio. However, we also predict several crystal-crystal phase transitions, such that the best packed structures are stable at higher densities, while those with a higher degree of degeneracy are stable at lower densities. To explore the effects of degeneracy entropy on the phase behavior of dimer particles, we calculated the phase diagram of hard asymmetric dumbbells. These particles consist of two spheres with fixed diameters and varying center-to-center separation. We predicted stable isotropic fluid, plastic crystal, and periodic NaCl-based and both periodic and aperiodic CrB-based crystalline phases, and found that reducing the sphere separation results in the aperiodic crystalline phases of snowman-shaped particles becoming destabilized. Finally, we have also studied the phase behavior of dumbbell particles interacting with hard-core repulsive Yukawa potentials. We found that dumbbells with sufficiently long-ranged interactions crystallize spontaneously into plastic crystals in which the particle centers of mass are located on average on a BCC crystal lattice. The auto- and spatial orientational correlation functions reveal no significant hindrance of the particle rotations even for the shortest ranged interactions studied.

  8. Finite-difference lattice-Boltzmann methods for binary fluids.

    PubMed

    Xu, Aiguo

    2005-06-01

    We investigate two-fluid Bhatnagar-Gross-Krook (BGK) kinetic methods for binary fluids. The developed theory works for asymmetric as well as symmetric systems. For symmetric systems it recovers Sirovich's theory and is summarized in models A and B. For asymmetric systems it contributes models C, D, and E which are especially useful when the total masses and/or local temperatures of the two components are greatly different. The kinetic models are discretized based on an octagonal discrete velocity model. The discrete-velocity kinetic models and the continuous ones are required to describe the same hydrodynamic equations. The combination of a discrete-velocity kinetic model and an appropriate finite-difference scheme composes a finite-difference lattice Boltzmann method. The validity of the formulated methods is verified by investigating (i) uniform relaxation processes, (ii) isothermal Couette flow, and (iii) diffusion behavior. PMID:16089910

  9. An unconstrained DFT approach to microphase formation and application to binary Gaussian mixtures.

    PubMed

    Pini, Davide; Parola, Alberto; Reatto, Luciano

    2015-07-21

    The formation of microphases in systems of particles interacting by repulsive, bounded potentials is studied by means of density-functional theory (DFT) using a simple, mean-field-like form for the free energy which has already been proven accurate for this class of soft interactions. In an effort not to constrain the configurations available to the system, we do not make any assumption on the functional form of the density profile ρ(r), save for its being periodic. We sample ρ(r) at a large number of points in the unit cell and minimize the free energy with respect to both the values assumed by ρ(r) at these points and the lattice vectors which identify the Bravais lattice. After checking the accuracy of the method by applying it to a one-component generalized exponential model (GEM) fluid with pair potential ϵexp[ - (r/R)(4)], for which extensive DFT and simulation results are already available, we turn to a binary mixture of Gaussian particles which some time ago was shown to support microphase formation [A. J. Archer, C. N. Likos, and R. Evans, J. Phys.: Condens. Matter 16, L297 (2004)], but has not yet been investigated in detail. The phase diagram which we obtain, that supersedes the tentative one proposed by us in a former study [M. Carta, D. Pini, A. Parola, and L. Reatto, J. Phys.: Condens. Matter 24, 284106 (2012)], displays cluster, tubular, and bicontinuous phases similar to those observed in block copolymers or oil/water/surfactant mixtures. Remarkably, bicontinuous phases occupy a rather large portion of the phase diagram. We also find two non-cubic phases, in both of which one species is preferentially located inside the channels left available by the other, forming helices of alternating chirality. The features of cluster formation in this mixture and in GEM potentials are also compared. PMID:26203044

  10. An unconstrained DFT approach to microphase formation and application to binary Gaussian mixtures

    NASA Astrophysics Data System (ADS)

    Pini, Davide; Parola, Alberto; Reatto, Luciano

    2015-07-01

    The formation of microphases in systems of particles interacting by repulsive, bounded potentials is studied by means of density-functional theory (DFT) using a simple, mean-field-like form for the free energy which has already been proven accurate for this class of soft interactions. In an effort not to constrain the configurations available to the system, we do not make any assumption on the functional form of the density profile ρ(r), save for its being periodic. We sample ρ(r) at a large number of points in the unit cell and minimize the free energy with respect to both the values assumed by ρ(r) at these points and the lattice vectors which identify the Bravais lattice. After checking the accuracy of the method by applying it to a one-component generalized exponential model (GEM) fluid with pair potential ɛexp[ - (r/R)4], for which extensive DFT and simulation results are already available, we turn to a binary mixture of Gaussian particles which some time ago was shown to support microphase formation [A. J. Archer, C. N. Likos, and R. Evans, J. Phys.: Condens. Matter 16, L297 (2004)], but has not yet been investigated in detail. The phase diagram which we obtain, that supersedes the tentative one proposed by us in a former study [M. Carta, D. Pini, A. Parola, and L. Reatto, J. Phys.: Condens. Matter 24, 284106 (2012)], displays cluster, tubular, and bicontinuous phases similar to those observed in block copolymers or oil/water/surfactant mixtures. Remarkably, bicontinuous phases occupy a rather large portion of the phase diagram. We also find two non-cubic phases, in both of which one species is preferentially located inside the channels left available by the other, forming helices of alternating chirality. The features of cluster formation in this mixture and in GEM potentials are also compared.

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

    NASA Astrophysics Data System (ADS)

    Kagawa, Noboru; Uematsu, Masahiko; Watanabe, Koichi

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

  12. Modeling the shallow gravity-driven flows as saturated binary mixtures over temporally varying topography

    NASA Astrophysics Data System (ADS)

    Tai, Yih-Chin; Kuo, Chih-Yu

    2010-05-01

    Based on the "shallow water models over arbitrary topography" by Bouchut and Westdickenberg [2004], and the "Coulomb-mixture theory" by Iversion and Denlinger [2001], we propose a saturated binary mixture model over temporally varying topography, where the effects of the entrainment and deposition are considered. Due to the deposition or erosion processes, the interface between the moving material and the stagnant base is a non-material singular surface that moves with its own velocity. Its motion is thus determined by the mass exchange between the flowing layer and the ground. Through the introduction of the unified coordinate method (e.g. Hui [2004, 2007]) and dimension analysis, the leading-order depth-integrated mass and momentum equations are presented in the time-dependent and topography-fitted curvilinear coordinate system, where the evolving curvature effect is neatly included in the total derivative operator of the variable topography-fitted coordinates. The motion of the basal interface is postulated by function of basal friction coefficient, sliding velocity, local thickness of the flowing layer and a threshold kinetic energy. A shock-capturing numerical scheme is implemented to solve the derived equation system (e.g. Tai and Kuo [2008] or Tai and Lin [2008]). And the key features are investigated and illustrated by the numerical results. References: [1] F. Bouchut and M. Westdickenberg, "Gravity driven shallow water models for arbitrary topography." Commun. Math. Sci. 2, 359-389 (2004). [2] R.M. Iverson and R.P. Denlinger, "Flow of variably fluidized granular masses across three-dimensional terrain. Part 1 Coulomb mixture theory." J. Geophysical Research, 106, 537-552 (2001). [3] W.H. Hui, "A unified coordinates approach to computational Fluid dynamics." J. Comput. and Applied Math., 163, 15-28 (2004). [4] W.H. Hui. "The unified coordinate system in computational fluid dynamics." Commun. Comput. Phys., 2(4), 577-610 (2007). [5] Y.C. Tai and C.Y. Kuo, "A

  13. Glossopharyngeal taste responses of the channel catfish to binary mixtures of amino acids.

    PubMed

    Ogawa, K; Caprio, J

    2000-10-01

    This study examines the neural processing of binary mixtures in the glossopharyngeal (IX) taste system of the channel catfish, Ictalurus punctatus, and finds that the nature of the components of a mixture determines the intensity of the neural response to it. Taste buds in fish innervated by IX are located along the gill rakers of the first gill arch and rostral floor of the oral cavity, and function primarily in the consummatory phase of feeding behavior; however, few studies of IX taste responses have been reported in any species of teleost. Here, we report IX taste responses to eight different binary mixtures of amino acids whose components were adjusted to be approximately equipotent in electrophysiological recordings. Four binary (group I) mixtures whose components were indicated from prior electrophysiological cross-adaptation experiments to bind to independent receptor sites resulted in significantly larger (22% average increase) integrated IX taste activity than four other (group II) binary mixtures whose components were indicated to bind to the same or highly cross-reactive receptor sites. These results are similar to those observed previously from facial nerve recordings in channel catfish, and to olfactory and taste responses in other vertebrate and invertebrate species. The group I results help to explain behavioral observations that chemical mixtures of chemosensory stimuli are often more stimulatory than their individual components. PMID:11015321

  14. Study of intermolecular interactions in binary mixtures of ethanol in methanol

    NASA Astrophysics Data System (ADS)

    Maharolkar, Aruna P.; Khirade, P. W.; Murugkar, A. G.

    2016-05-01

    Present paper deals with study of physicochemical properties like viscosity, density and refractive index for the binary mixtures of ethanol and methanol over the entire concentration range were measured at 298.15 K. The experimental data further used to determine the excess properties viz. excess molar volume, excess viscosity, excess molar refraction. The values of excess properties further fitted with Redlich-Kister (R-K Fit) equation to calculate the binary coefficients and standard deviation. The resulting excess parameters are used to indicate the presence of intermolecular interactions and strength of intermolecular interactions between the molecules in the binary mixtures. Excess parameters indicate structure making factor in the mixture predominates in the system.

  15. Prediction of surface tension of binary mixtures with the parachor method

    NASA Astrophysics Data System (ADS)

    Němec, Tomáš

    2015-05-01

    The parachor method for the estimation of the surface tension of binary mixtures is modified by considering temperature-dependent values of the parachor parameters. The temperature dependence is calculated by a least-squares fit of pure-solvent surface tension data to the binary parachor equation utilizing the Peng-Robinson equation of state for the calculation of equilibrium densities. A very good agreement between experimental binary surface tension data and the predictions of the modified parachor method are found for the case of the mixtures of carbon dioxide and butane, benzene, and cyclohexane, respectively. The surface tension is also predicted for three refrigerant mixtures, i.e. propane, isobutane, and chlorodifluoromethane, with carbon dioxide.

  16. Exploring fluctuations and phase equilibria in fluid mixtures via Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Denton, Alan R.; Schmidt, Michael P.

    2013-03-01

    Monte Carlo simulation provides a powerful tool for understanding and exploring thermodynamic phase equilibria in many-particle interacting systems. Among the most physically intuitive simulation methods is Gibbs ensemble Monte Carlo (GEMC), which allows direct computation of phase coexistence curves of model fluids by assigning each phase to its own simulation cell. When one or both of the phases can be modelled virtually via an analytic free energy function (Mehta and Kofke 1993 Mol. Phys. 79 39), the GEMC method takes on new pedagogical significance as an efficient means of analysing fluctuations and illuminating the statistical foundation of phase behaviour in finite systems. Here we extend this virtual GEMC method to binary fluid mixtures and demonstrate its implementation and instructional value with two applications: (1) a lattice model of simple mixtures and polymer blends and (2) a free-volume model of a complex mixture of colloids and polymers. We present algorithms for performing Monte Carlo trial moves in the virtual Gibbs ensemble, validate the method by computing fluid demixing phase diagrams, and analyse the dependence of fluctuations on system size. Our open-source simulation programs, coded in the platform-independent Java language, are suitable for use in classroom, tutorial, or computational laboratory settings.

  17. High-frequency sound wave propagation in binary gas mixtures flowing through microchannels

    NASA Astrophysics Data System (ADS)

    Bisi, M.; Lorenzani, S.

    2016-05-01

    The propagation of high-frequency sound waves in binary gas mixtures flowing through microchannels is investigated by using the linearized Boltzmann equation based on a Bhatnagar-Gross-Krook (BGK)-type approach and diffuse reflection boundary conditions. The results presented refer to mixtures whose constituents have comparable molecular mass (like Ne-Ar) as well as to disparate-mass gas mixtures (composed of very heavy plus very light molecules, like He-Xe). The sound wave propagation model considered in the present paper allows to analyze the precise nature of the forced-sound modes excited in different gas mixtures.

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

    PubMed

    Shvab, I; Sadus, Richard J

    2014-03-14

    Thermodynamic and diffusion properties of water + methane mixtures in a single liquid phase are studied using NVT molecular dynamics. An extensive comparison is reported for the thermal pressure coefficient, compressibilities, expansion coefficients, heat capacities, Joule-Thomson coefficient, zero frequency speed of sound, and diffusion coefficient at methane concentrations up to 15% in the temperature range of 298-650 K. The simulations reveal a complex concentration dependence of the thermodynamic properties of water + methane mixtures. The compressibilities, heat capacities, and diffusion coefficients decrease with increasing methane concentration, whereas values of the thermal expansion coefficients and speed of sound increase. Increasing methane concentration considerably retards the self-diffusion of both water and methane in the mixture. These effects are caused by changes in hydrogen bond network, solvation shell structure, and dynamics of water molecules induced by the solvation of methane at constant volume conditions. PMID:24628180

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

    SciTech Connect

    Shvab, I.; Sadus, Richard J.

    2014-03-14

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

  20. Quantum demixing in binary mixtures of dipolar bosons

    SciTech Connect

    Jain, Piyush; Boninsegni, Massimo

    2011-02-15

    Quantum Monte Carlo simulations of a two-component Bose mixture of trapped dipolar atoms of identical masses and dipole moments, provide numerical evidence of demixing at low finite temperatures. Demixing occurs as a consequence of quantum statistics, which results in an effective attraction between like bosons. Spatial separation of two components takes place at low temperature with the onset of long exchanges of identical particles, underlying Bose-Einstein condensation of both components. Conversely, at higher temperature the system is miscible due to the entropy of mixing. Exchanges are also found to enhance demixing in the case of mixtures of nonidentical and distinguishable species.

  1. Thermosolutal Convection in a Shallow Layer of a Binary Fluid

    SciTech Connect

    Alloui, Imene; Benmoussa, Hocine; Vasseur, Patrick

    2010-05-21

    This paper reports an analytical and numerical study of the combined Soret and thermosolutal effects on natural convection in a shallow rectangular cavity filled with a binary mixture. Neumann boundary conditions for temperature and concentration are applied to the horizontal walls of the enclosure, while the two vertical ones are assumed impermeable and insulated. For convection in an infinite layer, analytical solutions for the stream function, temperature and concentration fields are obtained using a parallel flow approximation in the core region of the cavity and an integral form of the energy and constituent equations. The critical Rayleigh numbers for the onset of supercritical and subcritical convection are predicted explicitly by the present model. Numerical solutions of the full governing equations are obtained for a wide range of the governing parameters. A good agreement is observed between the analytical model and the numerical simulations.

  2. Adiabatic evaporation of binary liquid mixtures on the porous ball surface

    NASA Astrophysics Data System (ADS)

    Terekhov, V. I.; Shishkin, N. E.

    2009-06-01

    Measured data for the temperature of a porous spherical surface to which an evaporating binary liquid mixture was supplied are reported. In the experiments, solutions of ethyl and methyl alcohols in water, and also solutions of acetone in water, were used. The concentration of mixture components was varied throughout the widest possible range of X L = 0-1, and the temperature of dry air flow past the sphere was in the range t 0 = 15-300 °C. In the present study, a strong influence of the composition of the mixtures on their adiabatic evaporation temperature was established. In the heat- and mass-transfer process, the air temperature is also of paramount importance. An experimental correlation is obtained which generalizes data on adiabatic evaporation temperature in a broad range of component concentrations and temperatures for the experimentally examined binary liquid mixtures.

  3. Sub-shock formation in Grad 10-moment equations for a binary gas mixture

    NASA Astrophysics Data System (ADS)

    Bisi, Marzia; Conforto, Fiammetta; Martalò, Giorgio

    2015-09-01

    The shock structure problem for Grad 10-moment equations for an inert binary mixture is investigated: necessary conditions for the formation of sub-shocks in fields of only one gas or of both components are rigorously obtained, and a detailed comparison with the shock-wave structure of its principal sub-system (deduced assuming vanishing viscous stress tensors) and of the equilibrium Euler sub-system is performed. Some numerical simulations for a mixture of argon and helium are presented.

  4. Excess heat capacity in liquid binary alkali-fluoride mixtures.

    PubMed

    Beilmann, M; Beneš, O; Capelli, E; Reuscher, V; Konings, R J M; Fanghänel, Th

    2013-03-01

    Using drop calorimetry, we measured enthalpy increments of the LiF-KF, LiF-RbF, and LiF-CsF binary systems at temperatures above the melting point. Ten samples with different compositions (four compositions for LiF-KF, one composition for LiF-RbF, and five compositions for LiF-CsF) were prepared and measured between 884 K and 1382 K. To protect the calorimeter from corrosive fluoride vapor at high temperature, an encapsulating technique developed for this purpose was used. The samples were filled in nickel containers that were sealed by laser welding and afterward used for the measurements. From the obtained results, we derived the molar heat capacity functions of the respective samples. The heat capacities of the samples, having different compositions of the same binary system, were compared with the values for ideal behavior and the excess heat capacity function was determined for the entire composition range of the liquid solution. It was found that the excess heat capacities clearly depend on the cation radius and increase in the following order: LiF-NaF < LiF-KF < LiF-RbF < LiF-CsF. PMID:23421448

  5. Formation and suppression of channels during upward solidification of a binary mixture

    NASA Astrophysics Data System (ADS)

    Garimella, Suresh V.; McNulty, James P.; Schlitz, Lei Z.

    1995-04-01

    Characteristics of the mushy zone were experimentally investigated in the upward solidification of a binary mixture. The formation of channels and techniques for their suppression were ex-plored. The experiments were carried out in a rectangular test section using aqueous ammonium chloride as the phase-change material at hypo- and hypereutectic concentrations ranging from 15 to 33 wt pct of salt. The cold-plate temperature was varied in the range of -60 ‡C to-14 ‡C. Transient temperature profiles as well as the positions of the liquidus and solidus interfaces were obtained. The mushy-zone characteristics, the nature and distribution of chan-nels, and the associated fluid flows were studied as a function of initial solution concentration and cold-plate temperature. The application of low-amplitude vibration to the test cell was found to reduce the mushy-zone thickness and the number of channels for all concentrations; chan-neling was almost completely suppressed at the lower concentrations. Channel suppression was influenced by vibration amplitude rather than frequency, with the larger-amplitude vibration being the more effective. The vibration results suggest that the formation and sustenance of channels is influenced more by developments within the mushy zone than by bulk liquid behavior.

  6. Demixing in binary mixtures of apolar and dipolar hard spheres

    NASA Astrophysics Data System (ADS)

    Almarza, N. G.; Lomba, E.; Martín, C.; Gallardo, A.

    2008-12-01

    We study the demixing transition of mixtures of equal size hard spheres and dipolar hard spheres using computer simulation and integral equation theories. Calculations are carried out at constant pressure, and it is found that there is a strong correlation between the total density and the composition. The critical temperature and the critical total density are found to increase with pressure. The critical mole fraction of the dipolar component on the contrary decreases as pressure is augmented. These qualitative trends are reproduced by the theoretical approaches that on the other hand overestimate by far the value of the critical temperature. Interestingly, the critical parameters for the liquid-vapor equilibrium extrapolated from the mixture results in the limit of vanishing neutral hard sphere concentration agree rather well with recent estimates based on the extrapolation of charged hard dumbbell phase equilibria when dumbbell elongation shrinks to zero [G. Ganzenmüller and P. J. Camp, J. Chem. Phys. 126, 191104 (2007)].

  7. Benard convection in binary mixtures with Soret effects and solidification

    NASA Technical Reports Server (NTRS)

    Zimmermann, G.; Mueller, U.; Davis, S. H.

    1992-01-01

    Benard convection was studied in a two-component liquid which displayed Soret effects (Soret, 1879; DeGroot and Mazur, 1969) and in which the temperatures of the horizontal boundaries spanned the solidification temperature of the mixture. A steady basic state was observed, in which the layer is partly liquid (near the lower, heated plate) and partly solid (near the upper, cooled plate) with the interface being planar, and in which all transport is by conduction and diffusion. Linear stability of the basic state was examined to determine how the presence of solid and the ability of the material to solidify or melt under disturbance affects the critical conditions from the onset of instability. The theoretical results obtained for cases when the phase change is absent and when the Soret effects are absent (but the phase change is present) are compared with an experiment using alcohol-water mixtures.

  8. CFD modelling of most probable bubble nucleation rate from binary mixture with estimation of components' mole fraction in critical cluster

    NASA Astrophysics Data System (ADS)

    Hong, Ban Zhen; Keong, Lau Kok; Shariff, Azmi Mohd

    2016-05-01

    The employment of different mathematical models to address specifically for the bubble nucleation rates of water vapour and dissolved air molecules is essential as the physics for them to form bubble nuclei is different. The available methods to calculate bubble nucleation rate in binary mixture such as density functional theory are complicated to be coupled along with computational fluid dynamics (CFD) approach. In addition, effect of dissolved gas concentration was neglected in most study for the prediction of bubble nucleation rates. The most probable bubble nucleation rate for the water vapour and dissolved air mixture in a 2D quasi-stable flow across a cavitating nozzle in current work was estimated via the statistical mean of all possible bubble nucleation rates of the mixture (different mole fractions of water vapour and dissolved air) and the corresponding number of molecules in critical cluster. Theoretically, the bubble nucleation rate is greatly dependent on components' mole fraction in a critical cluster. Hence, the dissolved gas concentration effect was included in current work. Besides, the possible bubble nucleation rates were predicted based on the calculated number of molecules required to form a critical cluster. The estimation of components' mole fraction in critical cluster for water vapour and dissolved air mixture was obtained by coupling the enhanced classical nucleation theory and CFD approach. In addition, the distribution of bubble nuclei of water vapour and dissolved air mixture could be predicted via the utilisation of population balance model.

  9. Transport in a highly asymmetric binary fluid mixture.

    PubMed

    Bastea, Sorin

    2007-03-01

    We present molecular dynamics calculations of the thermal conductivity and viscosities of a model colloidal suspension with colloidal particles roughly one order of magnitude larger than the suspending liquid molecules. The results are compared with estimates based on the Enskog transport theory and effective medium theories (EMT) for thermal and viscous transport. We find, in particular, that EMT remains well applicable for predicting both the shear viscosity and thermal conductivity of such suspensions when the colloidal particles have a "typical" mass, i.e., much larger than the liquid molecules. Very light colloidal particles on the other hand yield higher thermal conductivities, in disagreement with EMT. We also discuss the consequences of these results for some proposed mechanisms for thermal conduction in nanocolloidal suspensions. PMID:17500686

  10. Transport in a highly asymmetric binary fluid mixture

    NASA Astrophysics Data System (ADS)

    Bastea, Sorin

    2007-03-01

    We present molecular dynamics calculations of the thermal conductivity and viscosities of a model colloidal suspension with colloidal particles roughly one order of magnitude larger than the suspending liquid molecules. The results are compared with estimates based on the Enskog transport theory and effective medium theories (EMT) for thermal and viscous transport. We find, in particular, that EMT remains well applicable for predicting both the shear viscosity and thermal conductivity of such suspensions when the colloidal particles have a “typical” mass, i.e., much larger than the liquid molecules. Very light colloidal particles on the other hand yield higher thermal conductivities, in disagreement with EMT. We also discuss the consequences of these results for some proposed mechanisms for thermal conduction in nanocolloidal suspensions.

  11. Establishment and yield of perennial grass monocultures and binary mixtures for bioenergy in North Dakota

    Technology Transfer Automated Retrieval System (TEKTRAN)

    To develop appropriate bioenergy production systems to match site-specific situations, establishment and yield were evaluated for switchgrass, intermediate wheatgrass, tall wheatgrass, and three binary mixtures at four sites in North Dakota from 2006 to 2011. Canopy cover at harvest for intermediat...

  12. Combining nitrogen fertilizer with poultry litter in a binary mixture of tall fescue and bermudagrass

    Technology Transfer Automated Retrieval System (TEKTRAN)

    A common problem when poultry litter is applied to pastures in the southeastern USA is the buildup of soil P because of the difference in N-P-K ratio of the litter and plant requirements. This 2-yr study tested the theory that if the N requirement of a tall fescue-bermudagrass binary mixture is only...

  13. Solitary-wave solutions in binary mixtures of Bose-Einstein condensates under periodic boundary conditions

    NASA Astrophysics Data System (ADS)

    Smyrnakis, J.; Magiropoulos, M.; Kavoulakis, G. M.; Jackson, A. D.

    2013-01-01

    We derive solitary-wave solutions within the mean-field approximation in quasi-one-dimensional binary mixtures of Bose-Einstein condensates under periodic boundary conditions, for the case of an effective repulsive interatomic interaction. The particular gray-bright solutions that give the global energy minima are determined. Their characteristics and the associated dispersion relation are derived.

  14. Binary Mixtures of Permanganate and Chlorinated Volatile Organic Compounds in Groundwater Samples: Sample Preservation and Analysis

    EPA Science Inventory

    Ground water samples collected at sites where in-situ chemical oxidation (ISCO) has been deployed may contain binary mixtures of ground water contaminants and permanganate (MnO4-), an oxidant injected into the subsurface to destroy the contaminant. Commingling of the oxidant and ...

  15. Phase behaviors of binary mixtures composed of banana-shaped and calamitic mesogens

    NASA Astrophysics Data System (ADS)

    Cvetinov, M.; Z. Obadovic, D.; Stojanovic, M.; Vajda, A.; Fodor-Csorba, K.; Eber, N.; Ristic, I.

    2014-09-01

    In this work, five mixtures with different concentrations of banana-shaped and calamitic compounds have been prepared and subsequently studied by polarizing optical microscopy, differential scanning calorimetry, and X-ray diffraction on non-oriented samples. The phase sequences and molecular parameters of the binary systems are presented.

  16. Interpretation of Association Behavior and Molecular Interactions in Binary Mixtures from Thermoacoustics and Molecular Compression Data

    NASA Astrophysics Data System (ADS)

    Shukla, Rajeev K.; Kumar, Atul; Srivastava, Urvashi; Srivastava, Kirti; Pandey, Vivek K.

    2016-09-01

    Density and acoustic velocity were measured for binary liquid mixtures of formamide, N-methylacetamide (NMA), dimethylformamide (DMF), and dimethylacetamide (DMA) with acetonitrile at atmospheric pressure and 293.15 K, 298.15 K, 303.15 K, 308.15 K, or 313.15 K over the concentration range 0.12 to 0.97. Models assuming association and nonassociation of the components of the mixtures were used to predict the behavior of the studied liquids, which would typically show weak interactions. The measured properties were fitted to the Redlich-Kister polynomial to estimate the binary coefficients and standard errors. The data were used to study the molecular interactions in the binary mixtures. Furthermore, the McAllister multibody interaction model was used to correlate the properties of the binary liquid mixtures. Testing of the nonassociation and association models for the different systems showed that, compared with the nonassociation model theoretical results, the association model theoretical results were more consistent with the experimental results.

  17. Description of concentration fluctuations in liquid binary mixtures with nonadditive potentials

    SciTech Connect

    Osman, S.M.; Singh, R.N. )

    1995-01-01

    The segregation or phase separation in a binary mixture is investigated within a quasilattice model and the hard-sphere-like model. The hard-sphere results are improved by incorporating a nonadditive attractive tail interaction. An analytic expression for the concentration fluctuation [ital S][sub [ital c][ital c

  18. NEUROBEHAVIORAL EVALUATIONS OF BINARY AND TERTIARY MIXTURES OF CHEMICALS: LESSIONS LEARNING.

    EPA Science Inventory

    The classical approach to the statistical analysis of binary chemical mixtures is to construct full dose-response curves for one compound in the presence of a range of doses of the second compound (isobolographic analyses). For interaction studies using more than two chemicals, ...

  19. Thermal characteristics of oleochemical carbonate binary mixtures for potential latent heat storage

    Technology Transfer Automated Retrieval System (TEKTRAN)

    The present study examines the thermal properties of melting and solidification for binary mixtures between dodecyl carbonate (1a), tetradecyl carbonate (1b), hexadecyl carbonate (1c), and octadecyl carbonate (1d) by differential scanning calorimetry (DSC) in order to gain further understanding of t...

  20. Ebulliometers for measuring the thermodynamic properties of fluids and fluid mixtures

    SciTech Connect

    Weber, L.A.; Silva, A.M.

    1994-09-01

    The design and operation of two ebulliometers is described. One is constructed of glass and is used for measuring vapor pressures of fluids at low reduced temperatures and pressures. The other is constructed of metal. It can be used for vapor pressure measurements, and also for the study of fluid mixture thermodynamics through the determination of the activity coefficients at infinite dilution. The advantages and potential problems associated with ebulliometers are described, and typical results are given for the properties of alternative refrigerants.

  1. Chromonic liquid crystalline nematic phase exhibited in binary mixture of two liquid crystals

    SciTech Connect

    Govindaiah, T. N. Sreepad, H. R.; Sridhar, K. N.; Sridhara, G. R.; Nagaraja, N.

    2015-06-24

    A binary mixture of abietic acid and orthophosphoric acid (H{sub 3}PO{sub 4}) exhibits co-existence of biphasic region of Nematic+Isotropic (N+I), lyotropic Nematic (ND) and Smectic-G (SmG) phases. The mixture exhibits N+I, N and SmG phases at different concentrations and at different temperatures. Mixtures with all concentrations of abietic acid exhibit I→N+I→N→SmG phases sequentially when the specimen is cooled from its isotropic melt. These phases have been characterized by using differential scanning calorimetric, X-ray diffraction, and optical texture studies.

  2. In vivo responses of single olfactory receptor neurons of channel catfish to binary mixtures of amino acids.

    PubMed

    Kang, J; Caprio, J

    1997-01-01

    For the first time in any vertebrate, in vivo responses of single olfactory receptor neurons to odorant mixtures were studied quantitatively. Extracellular electrophysiological response of 54 single olfactory receptor neurons from 23 channel catfish, Ictalurus punctatus, to binary mixtures of amino acids and to their components were recorded simultaneously with the electroolfactogram (EOG). For 57% (73 of 128) of the tests, no significant change (N) from spontaneous activity occurred. Responses to the remaining 55 tests of binary mixtures were excitatory (E; 13%) or suppressive (S; 30%). No response type was associated with any specific mixture across the neurons sampled. Eighty-six percent of the responses of catfish olfactory receptor neurons to binary mixtures were classified similar to at least one of the component responses, a percentage comparable (i.e., 89%) with that observed for single olfactory bulb neurons in the same species to equivalent binary mixtures. The responses of single olfactory receptor neurons to component-similar binary mixtures (i.e., component responses were both E, both S, and both N, respectively) were generally (80% of 59 tests) classified similar to the responses to the components. For E+N and S+N binary mixtures, the N component often (66% of 58 tests) reduced or concealed (i.e., "masked") the excitatory and suppressive responses, respectively. For the majority (6 of 11 tests) of E + S binary mixtures, null activity resulted. Responses to the remaining five tests were either excitatory (n = 3) or suppressive (n = 2). PMID:9120550

  3. Evaluation of binary solvent mixtures for efficient monoacylglycerol production by continuous enzymatic glycerolysis.

    PubMed

    Damstrup, Marianne L; Abildskov, Jens; Kiil, Søren; Jensen, Anker D; Sparsø, Flemming V; Xu, Xuebing

    2006-09-20

    This study was aimed at evaluating different binary solvent mixtures for efficient industrial monoacylglycerol (MAG) production by enzymatic glycerolysis. Of all investigated cases, the binary mixture of tert-butanol:tert-pentanol (TB:TP) 80:20 vol % was the most suitable organic medium for continuous enzymatic glycerolysis, ensuring high MAG formation in a short time, reasonable solvent price, and easy handling during distillation/condensation processing. A minimum solvent dosage of 44-54 wt % of the reaction mixture was necessary to achieve high MAG yields of 47-56 wt %, within 20 min. The melting and boiling points of the TB:TP mixture were estimated to be 7 and 85 degrees C, respectively, using thermodynamic models. These predictions were in good agreement with experimentally determined values. In spite of the high reaction efficiency in the binary TB:TP system, the mixture of glycerol and sunflower oil (containing 97.1% triacylglycerol) yielded surprisingly a liquid/liquid phase split behavior even at high temperatures (>80 degrees C). This in contrast to thermodynamic model calculations suggested full miscibility in all proportions. These findings suggest that enhanced reaction efficiency in organic solvent also depends upon aspects other than the system homogeneity such as reduced viscosity, reduced mass transfer limitations, and the accessibility of the substrate to the active site of the enzyme. PMID:16968070

  4. Phase Diagrams and Ordering in Charged Membranes: Binary Mixtures of Charged and Neutral Lipids.

    PubMed

    Shimokawa, Naofumi; Himeno, Hiroki; Hamada, Tsutomu; Takagi, Masahiro; Komura, Shigeyuki; Andelman, David

    2016-07-01

    We propose a model describing the phase behavior of two-component membranes consisting of binary mixtures of electrically charged and neutral lipids. We take into account the structural phase transition (main-transition) of the hydrocarbon chains, and investigate the interplay between this phase transition and the lateral phase separation. The presence of charged lipids significantly affects the phase behavior of the multicomponent membrane. Due to the conservation of lipid molecular volume, the main-transition temperature of charged lipids is lower than that of neutral ones. Furthermore, as compared with binary mixtures of neutral lipids, the membrane phase separation in binary mixtures of charged lipids is suppressed, in accord with recent experiments. We distinguish between two types of charged membranes: mixtures of charged saturated lipid/neutral unsaturated lipid and a second case of mixtures of neutral saturated lipid/charged unsaturated lipid. The corresponding phase behavior is calculated and shown to be very different. Finally, we discuss the effect of added salt on the phase separation and the temperature dependence of the lipid molecular area. PMID:27141936

  5. Combined concentration and temperature-induced Marangoni convection in a binary mixture

    SciTech Connect

    Suzuki, Yuji; Noguchi, Suguru; Longtin, J.P.; Hijikata, Kunio

    1996-12-31

    In binary and multi-component mixtures, surface-tension-driven flow, i.e., Marangoni convection, can arise from both concentration and temperature gradients at the liquid surface. Depending on the liquids, concentration effects can complement or oppose temperature effects, which is important for many areas of engineering interest, e.g., mixing, solidification, distillation, evaporation, and drying. This work experimentally investigates combined temperature and concentration-induced Marangoni convection for an ethanol-water binary mixture in an enclosed cell with heated and cooled walls. Velocity profiles are obtained using a photochromic dye technique, and concentration variation at the liquid surface is measured using an interferometric technique. The results indicate that concentration effects dominate at 50/50 and 80/20 ethanol-water volume percent mixtures, resulting in a large surface velocity in the opposite direction to the bulk flow. Concentration effects can be arrested by exposing the free liquid surface to non-condensable gas at atmospheric pressure.

  6. Dissipative particle dynamics simulation study on the binary mixture phase separation coupled with polymerization.

    PubMed

    Liu, Hong; Qian, Hu-Jun; Zhao, Ying; Lu, Zhong-Yuan

    2007-10-14

    The influence of polymerization on the phase separation of binary immiscible mixtures has been investigated by the dissipative particle dynamics simulations in two dimensions. During polymerization, the bulk viscosity increases, which consequently slows down the spinodal decomposition process. The domain size growth is monitored in the simulations. The absence of 23 exponent for inertial hydrodynamic mechanism clearly reflects the suppressing effect of polymerization on the phase separation. Due to the increasing viscosity, the individual phase may be trapped in a metastable stage instead of the lamellar morphology identified for symmetric mixtures. Moreover, the polymerization induced phase separation in the binary miscible mixture has been studied. The domain growth is strongly dependent on the polymerization probability, which is naturally related to the activation energy for polymerization. The observed complex phase separation behavior is attributed to the interplay between the increasing thermodynamic driving force for phase separation and the increasing viscosity that suppresses phase separation as the polymerization proceeds. PMID:17935435

  7. Volumetric properties of binary mixtures of benzene with cyano-based ionic liquids

    NASA Astrophysics Data System (ADS)

    Gonfa, Girma; Bustam, Mohamad Azmi; Moniruzzaman, Muhammad; Murugesan, Thanabalan

    2014-10-01

    The objective of this study is to investigate the volumetric properties of the binary mixtures comprised benzene and two ionic liquids, 1-butyl-3-methylimidazolium thiocyanate ([BMIM][SCN]) and 1-butyl-3-methyl- imidazolium dicyanamide ([ BMIM ][ N ( CN )2]( . Densities (ρ) and viscosities (μ) of the binary mixtures were measured over a temperature range of 293.15 to 323.15 K and at atmospheric pressure. Excess molar volumes and viscosity deviations were calculated from the experimental densities and viscosities values. The volumetric properties of the mixtures were changed significantly with the change of compositions and temperatures. It was also found that the value of excess molar volume and viscosity deviations were negative (-ve) over the entire range of compositions. The results have been interpreted in terms of molecular interactions of ILs and benzene.

  8. Chiral conglomerates observed for a binary mixture of a nematic liquid crystal trimer and 6OCB.

    PubMed

    Yoshizawa, Atsushi; Kato, Yusuke; Sasaki, Haruna; Takanishi, Yoichi; Yamamoto, Jun

    2015-12-01

    Dark conglomerates of domains with opposite handedness, which are designated as dark conglomerate phases (DC phases), have attracted much attention. After designing an achiral liquid crystal trimer, 4,4′-bis{7-[4-(5-octyloxypyrimidin-2-yl)phenyloxy]heptyloxy}biphenyl (1), which exhibits only a nematic phase, we prepared binary mixtures with some typical rod-like nematic liquid crystals, i.e., 4′-hexyloxy-4-cyanobiphenyl (6OCB), 2-(4-hexyloxyphenyl)-5-pentyloxypyrimidine (PPY), or 4-methyloxyphenyl 4-hexyloxycyclohexanecarboxylate (PCA), and investigated their phase transition behaviour. The binary mixtures containing 55–90 mol% of 6OCB were found to exhibit a nematic phase and a DC phase of chiral domains with opposite handedness. However, neither PPY nor PCA induced such a chiral conglomerate phase in the mixture with trimer 1. We discuss how core–core interactions contribute to produce such a chiral conglomerate phase. PMID:26395546

  9. Dynamics of binary phase separation in liquid He-3-He-4 mixtures

    NASA Technical Reports Server (NTRS)

    Hoffer, J. K.; Sinha, D. N.

    1986-01-01

    Binary phase-separation dynamics in liquid mixtures of He-3 and He-4 has been investigated near the tricritical point with laser-light scattering techniques. Rapid decompression of the mixtures results in quenches into the miscibility gap so that both the metastable and unstable (spinodal) regions can be probed. Quenches into the unstable region allowed measurements of the normalized dynamic structure factor S(k,t) that confirm the dynamical scaling hypotheses for spinodal decomposition. Measurements made for concentrations well away from the tricritical value show different behavior and suggest the presence of a spinodal boundary. Forward scattering intensities for shallow quenches probe nucleation phenomena and permit quantitative measurements of anomalous super-cooling as a function of quench rate. Comparisons with data in organic binary mixtures are given.

  10. Linear mixing rule in screened binary ionic mixtures

    NASA Technical Reports Server (NTRS)

    Chabrier, G.; Ashcroft, N. W.

    1990-01-01

    The validity of the linear mixing rule is examined for the following two cases (1) when the response of the electron gas is taken into account in the effective ionic interaction and (2) when finite-temperature effects are included in the dielectric response of the electrons, i.e., when the ions interact with both temperature- and density-dependent screened Coulomb potentials. It is found that the linear mixing rule remains valid when the electron response is taken into account in the interionic potential at any density, even though the departure from linearity can reach a few percent for the asymmetric mixtures in the region of weak degeneracy for the electron gas. A physical explanation of this behavior is proposed which is based on a simple additional length scale.

  11. Characterizing Olfactory Binary Mixture Interactions in Fischer 344 Rats Using Behavioral Reaction Times

    PubMed Central

    Yoder, Wendy M.; Gaynor, Leslie; Windham, Ethan; Lyman, Michelle; Munizza, Olivia; Setlow, Barry; Bizon, Jennifer L.

    2015-01-01

    Response times provide essential subthreshold perceptual data that extend beyond accuracy alone. Behavioral reaction times (RTs) were used to characterize rats’ ability to detect individual odorants in a series of complimentary binary odorant mixture ratios. We employed an automated, liquid-dilution olfactometer to train Fischer 344 rats (N = 8) on an odor identification task using nonreinforced probe trials. Binary mixture ratios composed of aliphatic odorants (citral and octanol) were arranged such that relative contributions of the 2 components varied systematically by a factor of 1% (v/v). Odorant concentrations for the target (S+), control (S−), and mixture (S+:S−) odorants were presented relative to threshold for each rat. Rats were initially trained to respond by licking at a spout to obtain liquid reward for either citral or octanol as the reinforced target (S+) odorant. After achieving 100% accuracy, rats were transferred to variable ratio (VR 2) reinforcement for correct responding. Nonreinforced probe trials (2 per block of 22 trials) were tested for each mixture ratio and recorded as either S+ (rats lick-responded in the presence of the mixture) or S− (rats refrained from licking), thereby indicating detection of the trained, S+ odorant. To determine the perceived salience for each ratio, RTs (latency from odorant onset to lick response) were recorded for each trial. Consistent with previous studies, RTs for both odorants were shortest (~150–200ms) when the probe trials consisted of a single, monomolecular component. Binary mixtures that contained as little as 1% of the S−, nontarget odorant, however, were sufficiently different perceptually to increase behavioral RTs (i.e., rats hesitated longer before responding); RTs changed systematically as a function of the binary ratio. Interestingly, the rate of RT change was dependent on which odorant served as the S+, suggesting an asymmetric interaction between the 2 odorants. The data demonstrate

  12. Characterizing olfactory binary mixture interactions in Fischer 344 rats using behavioral reaction times.

    PubMed

    Yoder, Wendy M; Gaynor, Leslie; Windham, Ethan; Lyman, Michelle; Munizza, Olivia; Setlow, Barry; Bizon, Jennifer L; Smith, David W

    2015-06-01

    Response times provide essential subthreshold perceptual data that extend beyond accuracy alone. Behavioral reaction times (RTs) were used to characterize rats' ability to detect individual odorants in a series of complimentary binary odorant mixture ratios. We employed an automated, liquid-dilution olfactometer to train Fischer 344 rats (N = 8) on an odor identification task using nonreinforced probe trials. Binary mixture ratios composed of aliphatic odorants (citral and octanol) were arranged such that relative contributions of the 2 components varied systematically by a factor of 1% (v/v). Odorant concentrations for the target (S+), control (S-), and mixture (S+:S-) odorants were presented relative to threshold for each rat. Rats were initially trained to respond by licking at a spout to obtain liquid reward for either citral or octanol as the reinforced target (S+) odorant. After achieving 100% accuracy, rats were transferred to variable ratio (VR 2) reinforcement for correct responding. Nonreinforced probe trials (2 per block of 22 trials) were tested for each mixture ratio and recorded as either S+ (rats lick-responded in the presence of the mixture) or S- (rats refrained from licking), thereby indicating detection of the trained, S+ odorant. To determine the perceived salience for each ratio, RTs (latency from odorant onset to lick response) were recorded for each trial. Consistent with previous studies, RTs for both odorants were shortest (~150-200ms) when the probe trials consisted of a single, monomolecular component. Binary mixtures that contained as little as 1% of the S-, nontarget odorant, however, were sufficiently different perceptually to increase behavioral RTs (i.e., rats hesitated longer before responding); RTs changed systematically as a function of the binary ratio. Interestingly, the rate of RT change was dependent on which odorant served as the S+, suggesting an asymmetric interaction between the 2 odorants. The data demonstrate the value

  13. Understanding the Phase Behavior of Tetrahydrofuran + Carbon Dioxide, + Methane, and + Water Binary Mixtures from the SAFT-VR Approach.

    PubMed

    Míguez, J M; Piñeiro, M M; Algaba, J; Mendiboure, B; Torré, J P; Blas, F J

    2015-11-01

    The high-pressure phase diagrams of the tetrahydrofuran(1) + carbon dioxide(2), + methane(2), and + water(2) mixtures are examined using the SAFT-VR approach. Carbon dioxide molecule is modeled as two spherical segments tangentially bonded, water is modeled as a spherical segment with four associating sites to represent the hydrogen bonding, methane is represented as an isolated sphere, and tetrahydrofuran is represented as a chain of m tangentially bonded spherical segments. Dispersive interactions are modeled using the square-well intermolecular potential. In addition, two different molecular model mixtures are developed to take into account the subtle balance between water-tetrahydrofuran hydrogen-bonding interactions. The polar and quadrupolar interactions present in water, tetrahydrofuran, and carbon dioxide are treated in an effective way via square-well potentials of variable range. The optimized intermolecular parameters are taken from the works of Giner et al. (Fluid Phase Equil. 2007, 255, 200), Galindo and Blas (J. Phys. Chem. B 2002, 106, 4503), Patel et al. (Ind. Eng. Chem. Res. 2003, 42, 3809), and Clark et al. (Mol. Phys. 2006, 104, 3561) for tetrahydrofuran, carbon dioxide, methane, and water, respectively. The phase diagrams of the binary mixtures exhibit different types of phase behavior according to the classification of van Konynenburg and Scott, ranging from types I, III, and VI phase behavior for the tetrahydrofuran(1) + carbon dioxide(2), + methane(2), and + water(2) binary mixtures, respectively. This last type is characterized by the presence of a Bancroft point, positive azeotropy, and the so-called closed-loop curves that represent regions of liquid-liquid immiscibility in the phase diagram. The system exhibits lower critical solution temperatures (LCSTs), which denote the lower limit of immiscibility together with upper critical solution temperatures (UCSTs). This behavior is explained in terms of competition between the incompatibility

  14. Inherent structures of phase-separating binary mixtures: Nucleation, spinodal decomposition, and pattern formation

    NASA Astrophysics Data System (ADS)

    Sarkar, Sarmistha; Bagchi, Biman

    2011-03-01

    An energy landscape view of phase separation and nonideality in binary mixtures is developed by exploring their potential energy landscape (PEL) as functions of temperature and composition. We employ molecular dynamics simulations to study a model that promotes structure breaking in the solute-solvent parent binary liquid, at low temperatures. The PEL of the system captures the potential energy distribution of the inherent structures (IS) of the system and is obtained by removing the kinetic energy (including that of intermolecular vibrations). The broader distribution of the inherent structure energy for structure breaking liquid than that of the structure making liquid demonstrates the larger role of entropy in stabilizing the parent liquid of the structure breaking type of binary mixtures. At high temperature, although the parent structure of the structure breaking binary mixture is homogenous, the corresponding inherent structure is found to be always phase separated, with a density pattern that exhibits marked correlation with the energy of its inherent structure. Over a broad range of intermediate inherent structure energy, bicontinuous phase separation prevails with interpenetrating stripes as signatures of spinodal decomposition. At low inherent structure energy, the structure is largely phase separated with one interface where as at high inherent structure energy we find nucleation type growth. Interestingly, at low temperature, the average inherent structure energy () exhibits a drop with temperature which signals the onset of crystallization in one of the phases while the other remains in the liquid state. The nonideal composition dependence of viscosity is anticorrelated with average inherent structure energy.

  15. Micellization and synergistic interaction of binary surfactant mixtures based on sodium nonylphenol polyoxyethylene ether sulfate.

    PubMed

    Chen, Zhong-Xiu; Deng, Shao-Ping; Li, Xiao-Kui

    2008-02-15

    Mixed micelle formation and synergistic interactions of binary surfactant combinations of sodium nonylphenol polyoxyethylene ether sulfate (NPES) with typical surfactants such as sodium dodecyl sulfate (SDS), Triton X-100 (TX100), cetyl trimethyl ammonium bromide (CTAB), and sodium bis(2-ethylhexyl) sulfosuccinate (AOT) at 25 degrees C in the presence of NaCl have been investigated. The critical micelle concentration of the binary mixtures has been quantitatively estimated by steady-state fluorescence measurements. The micellar characteristics such as composition, activity coefficients, and mutual interaction parameters have been estimated following different theoretical treatments. Investigation on the micellization and synergistic interaction of NPES with four kinds of surfactants showed that the behavior of the binary mixture deviated from the ideal state. The analysis revealed that the interaction parameter values (beta) varied with variation of solvent composition. Besides the strong electrostatic attraction between the oppositely charged surfactant NPES-CTAB mixture, the interaction between NPES and SDS also showed far more deviation from ideal behavior than that of TX100 and AOT. The reason for the synergism is also discussed and the results show that an ionic and a nonionic surfactant character existed concurrently in NPES due to the combination of a sulfate group and polyoxyethylene as a hydrophilic moiety. Zeta potential and diffusion coefficient measurements of micelles confirmed the synergistic interaction between the binary surfactants. PMID:18005979

  16. Mechanisms in the size segregation of a binary granular mixture

    NASA Astrophysics Data System (ADS)

    Schröter, Matthias; Ulrich, Stephan; Kreft, Jennifer; Swift, Jack B.; Swinney, Harry L.

    2006-07-01

    A granular mixture of particles of two sizes that is shaken vertically will in most cases segregate. If the larger particles accumulate at the top of the sample, this is called the Brazil-nut effect (BNE); if they accumulate at the bottom, it is called the reverse Brazil-nut effect (RBNE). While this process is of great industrial importance in the handling of bulk solids, it is not well understood. In recent years ten different mechanisms have been suggested to explain when each type of segregation is observed. However, the dependence of the mechanisms on driving conditions and material parameters and hence their relative importance is largely unknown. In this paper we present experiments and simulations where both types of particles are made from the same material and shaken under low air pressure, which reduces the number of mechanisms to be considered to seven. We observe both BNE and RBNE by varying systematically the driving frequency and amplitude, diameter ratio, ratio of total volume of small to large particles, and overall sample volume. All our results can be explained by a combination of three mechanisms: a geometrical mechanism called void filling, transport of particles in sidewall-driven convection rolls, and thermal diffusion, a mechanism predicted by kinetic theory.

  17. Effect of repeated presentation on sweetness intensity of binary and ternary mixtures of sweeteners.

    PubMed

    Schiffman, Susan S; Sattely-Miller, Elizabeth A; Graham, Brevick G; Zervakis, Jennifer; Butchko, Harriett H; Stargel, W Wayne

    2003-03-01

    The purpose of the present study was to determine the effect of repeated presentation of the same sweet stimulus on sweetness intensity ratings. The sweet stimuli tested in this study were binary and ternary blends of 14 sweeteners that varied widely in chemical structure. A trained panel evaluated the sweetness intensity over four sips of a given mixture presented at 30 s intervals. The individual components in the binary sweetener combinations were intensity-anchored with 5% sucrose, while the individual sweeteners in the ternary mixtures were intensity-anchored with 3% sucrose (according to formulae developed previously). Each self-mixture was also evaluated (e.g. acesulfame-K-acesulfame-K). The main finding of this study was that mixtures consisting of two or three different sweeteners exhibited less reduction in sweetness intensity over four repeated sips than a single sweetener at an equivalent sweetness level. Furthermore, ternary combinations tended to be slightly more effective than binary combinations at lessening the effect of repeated exposure to a given sweet stimulus. These findings suggest that the decline in sweetness intensity experienced over repeated exposure to a sweet stimulus could be reduced by the blending of sweeteners. PMID:12714444

  18. The structure of variable property, compressible mixing layers in binary gas mixtures

    NASA Technical Reports Server (NTRS)

    Kozusko, F.; Grosch, C. E.; Jackson, T. L.; Kennedy, Christipher A.; Gatski, Thomas B.

    1996-01-01

    We present the results of a study of the structure of a parallel compressible mixing layer in a binary mixture of gases. The gases included in this study are hydrogen (H2), helium (He), nitrogen (N2), oxygen (02), neon (Ne) and argon (Ar). Profiles of the variation of the Lewis and Prandtl numbers across the mixing layer for all thirty combinations of gases are given. It is shown that the Lewis number can vary by as much as a factor of eight and the Prandtl number by a factor of two across the mixing layer. Thus assuming constant values for the Lewis and Prandtl numbers of a binary gas mixture in the shear layer, as is done in many theoretical studies, is a poor approximation. We also present profiles of the velocity, mass fraction, temperature and density for representative binary gas mixtures at zero and supersonic Mach numbers. We show that the shape of these profiles is strongly dependent on which gases are in the mixture as well as on whether the denser gas is in the fast stream or the slow stream.

  19. Effects of six antibiotics and their binary mixtures on growth of Pseudokirchneriella subcapitata.

    PubMed

    Magdaleno, A; Saenz, M E; Juárez, A B; Moretton, J

    2015-03-01

    The effect of ampicillin (AMP), amoxicillin (AMX), cephalotin (CEP), ciprofloxacin (CPF), gentamycin (GEN), and vancomycin (VAN) have been examined individually and as binary mixtures, on a non-target aquatic organism, the green alga Pseudokichneriella subcapitata. The β-lactam antibiotics AMP and AMX were not toxic to the alga at concentrations up to 2000 mgl(-1) (less than 10% of algal growth inhibition), whereas the fluoroquinolone CPF, and the aminoglycoside GEN were the most toxic antibiotics, with an EC50=11.3 ± 0.7 mgl(-1) and 19.2 ± 0.5 mgl(-1), respectively. The cephalosporin CEP and the glycopeptide VAN were less toxic than the last two mentioned, showing an EC50>600 mgl(-1) and 724 ± 20 mgl(-1), respectively. The toxicological interactions of binary mixtures were predicted by the two classical models of additivity: concentration addition (CA) and independent action (IA), and compared to the experimentally determined toxicities over a range of concentrations between 1 and 50 mgl(-1). In all cases a clear synergistic effect was observed, showing that single compound toxicity data are not adequate for the prediction of aquatic toxicities of antibiotic mixtures. Risk assessment was performed by calculating the ratio between predicted environmental concentrations (PEC) and the predicted no effect concentration (PNEC). All the antibiotics tested, excepting GEN, have a potential ecological risk, taking into account the PEC of hospital effluents from Buenos Aires, Argentina. These risks increase when antibiotics are present in binary mixtures. PMID:25483375

  20. Water dynamics and interactions in water-polyether binary mixtures.

    PubMed

    Fenn, Emily E; Moilanen, David E; Levinger, Nancy E; Fayer, Michael D

    2009-04-22

    Poly(ethylene) oxide (PEO) is a technologically important polymer with a wide range of applications including ion-exchange membranes, protein crystallization, and medical devices. PEO's versatility arises from its special interactions with water. Water molecules may form hydrogen-bond bridges between the ether oxygens of the backbone. While steady-state measurements and theoretical studies of PEO's interactions with water abound, experiments measuring dynamic observables are quite sparse. A major question is the nature of the interactions of water with the ether oxygens as opposed to the highly hydrophilic PEO terminal hydroxyls. Here, we examine a wide range of mixtures of water and tetraethylene glycol dimethyl ether (TEGDE), a methyl-terminated derivative of PEO with 4 repeat units (5 ether oxygens), using ultrafast infrared polarization selective pump-probe measurements on water's hydroxyl stretching mode to determine vibrational relaxation and orientational relaxation dynamics. The experiments focus on the dynamical interactions of water with the ether backbone because TEGDE does not have the PEO terminal hydroxyls. The experiments observe two distinct subensembles of water molecules: those that are hydrogen bonded to other waters and those that are associated with TEGDE molecules. The water orientational relaxation has a fast component of a few picoseconds (water-like) followed by much slower decay of approximately 20 ps (TEGDE associated). The two decay times vary only mildly with the water concentration. The two subensembles are evident even in very low water content samples, indicating pooling of water molecules. Structural change as water content is lowered through either conformational changes in the backbone or increasing hydrophobic interactions is discussed. PMID:19323522

  1. Formation of H2-He substellar bodies in cold conditions. Gravitational stability of binary mixtures in a phase transition

    NASA Astrophysics Data System (ADS)

    Füglistaler, A.; Pfenniger, D.

    2016-06-01

    Context. Molecular clouds typically consist of 3/4 H2, 1/4 He and traces of heavier elements. In an earlier work we showed that at very low temperatures and high densities, H2 can be in a phase transition leading to the formation of ice clumps as large as comets or even planets. However, He has very different chemical properties and no phase transition is expected before H2 in dense interstellar medium conditions. The gravitational stability of fluid mixtures has been studied before, but these studies did not include a phase transition. Aims: We study the gravitational stability of binary fluid mixtures with special emphasis on when one component is in a phase transition. The numerical results are aimed at applications in molecular cloud conditions, but the theoretical results are more general. Methods: First, we study the gravitational stability of van der Waals fluid mixtures using linearized analysis and examine virial equilibrium conditions using the Lennard-Jones intermolecular potential. Then, combining the Lennard-Jones and gravitational potentials, the non-linear dynamics of fluid mixtures are studied via computer simulations using the molecular dynamics code LAMMPS. Results: Along with the classical, ideal-gas Jeans instability criterion, a fluid mixture is always gravitationally unstable if it is in a phase transition because compression does not increase pressure. However, the condensed phase fraction increases. In unstable situations the species can separate: in some conditions He precipitates faster than H2, while in other conditions the converse occurs. Also, for an initial gas phase collapse the geometry is essential. Contrary to spherical or filamentary collapses, sheet-like collapses starting below 15 K easily reach H2 condensation conditions because then they are fastest and both the increase of heating and opacity are limited. Conclusions: Depending on density, temperature and mass, either rocky H2 planetoids, or gaseous He planetoids form. H2

  2. Excited-state proton transfer dynamics of firefly's chromophore D-luciferin in DMSO-water binary mixture.

    PubMed

    Kuchlyan, Jagannath; Banik, Debasis; Roy, Arpita; Kundu, Niloy; Sarkar, Nilmoni

    2014-12-01

    In this article we have investigated intermolecular excited-state proton transfer (ESPT) of firefly's chromophore D-luciferin in DMSO-water binary mixtures using steady-state and time-resolved fluorescence spectroscopy. The unusual behavior of DMSO-water binary mixture as reported by Bagchi et al. (J. Phys. Chem. B 2010, 114, 12875-12882) was also found using D-luciferin as intermolecular ESPT probe. The binary mixture has given evidence of its anomalous nature at low mole fractions of DMSO (below XD = 0.4) in our systematic investigation. Upon excitation of neutral D-luciferin molecule, dual fluorescence emissions (protonated and deprotonated form) are observed in DMSO-water binary mixture. A clear isoemissive point in the time-resolved area normalized emission spectra further indicates two emissive species in the excited state of D-luciferin in DMSO-water binary mixture. DMSO-water binary mixtures of different compositions are fascinating hydrogen bonding systems. Therefore, we have observed unusual changes in the fluorescence emission intensity, fluorescence quantum yield, and fluorescence lifetime of more hydrogen bonding sensitive anionic form of D-luciferin in low DMSO content of DMSO-water binary mixture. PMID:25415652

  3. Synergism and Combinatorial Coding for Binary Odor Mixture Perception in Drosophila

    PubMed Central

    Chakraborty, Tuhin Subhra; Siddiqi, Obaid

    2016-01-01

    Most odors in the natural environment are mixtures of several compounds. Olfactory receptors housed in the olfactory sensory neurons detect these odors and transmit the information to the brain, leading to decision-making. But whether the olfactory system detects the ingredients of a mixture separately or treats mixtures as different entities is not well understood. Using Drosophila melanogaster as a model system, we have demonstrated that fruit flies perceive binary odor mixtures in a manner that is heavily dependent on both the proportion and the degree of dilution of the components, suggesting a combinatorial coding at the peripheral level. This coding strategy appears to be receptor specific and is independent of interneuronal interactions. PMID:27588303

  4. Synergism and Combinatorial Coding for Binary Odor Mixture Perception in Drosophila.

    PubMed

    Kundu, Srikanya; Ganguly, Anindya; Chakraborty, Tuhin Subhra; Kumar, Arun; Siddiqi, Obaid

    2016-01-01

    Most odors in the natural environment are mixtures of several compounds. Olfactory receptors housed in the olfactory sensory neurons detect these odors and transmit the information to the brain, leading to decision-making. But whether the olfactory system detects the ingredients of a mixture separately or treats mixtures as different entities is not well understood. Using Drosophila melanogaster as a model system, we have demonstrated that fruit flies perceive binary odor mixtures in a manner that is heavily dependent on both the proportion and the degree of dilution of the components, suggesting a combinatorial coding at the peripheral level. This coding strategy appears to be receptor specific and is independent of interneuronal interactions. PMID:27588303

  5. Grafting of vinyl acetate-ethylacrylate binary monomer mixture onto guar gum.

    PubMed

    Singh, Vandana; Singh, Angela; Joshi, Sneha; Malviya, Tulika

    2016-03-01

    Present article reports on guar gum (GG) functionalization through graftcopolymerization of vinylacetate (VAC) and ethylacrylate (EA) from their binary mixtures. The potassium persulfate/ascorbic acid (KPS/AA) redox initiator system has been used for the binary grafting under the previously optimized conditions for VAC grafting at guar gum. The concentration of ascorbic acid (AA), persulfate (KPS), and grafting temperature were varied to optimize the binary grafting. A preliminary investigation revealed that the copolymer has excellent ability to capture Hg(II) from aqueous solution. It was observed that the optimum % grafting sample (CP3) was best at Hg(II) adsorption. CP3 and mercury loaded CP3 (CP3-Hg) have been extensively characterized using Fourier transform infrared spectroscopy (FTIR), Scanning electron microscopy (SEM), and Thermo gravimetric analysis (TGA) and a plausible mechanism for the grafting has been proposed. PMID:26708437

  6. Interaction of phenolic uncouplers in binary mixtures: concentration-additive and synergistic effects.

    PubMed

    Escher, B I; Hunziker, R W; Schwarzenbach, R P

    2001-10-01

    The uncoupling activities of 14 binary mixtures of substituted phenols and of 4 binary mixtures of phenols and anisols were investigated at different pH values. Experiments were performed with time-resolved spectroscopy on membrane vesicles (chromatophores) of the photosynthetic bacteria Rhodobacter sphaeroides. Phenols are known to destroy the electrochemical proton gradient in energy-transducing membranes by a protonophoric mechanism. Anisols do not have protonophoric activity but disturb membrane structure and functioning as a nonspecific baseline toxicant. It was postulated in the literature that, for certain substituted phenols, the formation of a dimer between the phenoxide and the neutral phenol may contribute significantly to the overall protonophoric activity. In 13 of 14 mixtures of substituted phenols but in none of the mixtures of phenols with anisols, such a dimer appears to be formed between two different mixture partners. An extended shuttle mechanism of uncoupling, which includes a term for the contribution of such a mixed dimer, provided a good description of all experimental data. Opposite speciation favors interaction and ortho substituents abate interaction, which adds evidence for the dimerformation via a hydrogen bond between the phenol-OH and the phenoxide. These findings are significant not only regarding the mechanism of protonophoric action but also for the risk assessment process of chemical mixtures in the environment. When assessing the effect of mixtures, concentration addition is regarded as a reference X concept to estimate effects of similarly acting compounds. The substituted phenols in this work act according to the same action mechanism of uncoupling. Nevertheless, the overall effect of four of the investigated mixtures, which exhibit stronger dimer formation as compared to the single compounds or for which the resulting dimer is intrinsically more active, exceeded the effect calculated according to concentration addition

  7. Sedimentation stacking diagrams of binary mixtures of thick and thin hard rods.

    PubMed

    Drwenski, Tara; Hooijer, Patrick; van Roij, René

    2016-06-29

    We use Onsager theory and the local density approximation to study sedimentation-diffusion equilibrium density profiles of binary mixtures of thick and thin hard rods. We construct stacking diagrams for three diameter ratios, and find that even a simple spindle-shaped phase diagram with only isotropic-nematic demixing can lead to counter-intuitive stacking sequences such as an isotropic phase sandwiched between two nematic phases. For the most complex phase diagram considered here, we find sixteen distinct stacking sequences, including several with five sedimented layers. By adding sedimentation paths to composition-pressure and density-density phase diagrams and calculating density and composition profiles, we show that conclusions about bulk phase diagrams of binary mixtures on the basis of sedimentation-diffusion equilibria should be drawn warily. PMID:27279434

  8. Exact results for the jammed state of binary mixtures of superdisks on the plane

    NASA Astrophysics Data System (ADS)

    Švrakić, N. M.; Aleksić, Branislav N.; Belić, Milivoj R.

    2016-01-01

    By analytical and numerical methods we investigate the late stage deposition of binary mixtures of oriented "superdisks" on a plane. Superdisks are objects bounded by Lamé curves | x | 2 p +| y | 2 p = 1, where deformation parameter p controls their size and shape. For deposition of single-type superdisks, the maximum packing and jamming densities are known to be nonanalytic at p = 0.5. For binary mixtures of superdisks, we discover that nonanalyticities form a locus of points separating "phase diagram" of shape combinations into regions with different excluded-area constructions. An analytical expression for this phase boundary and exact constructions of the excluded-areas are presented. The corresponding saturation coverages are obtained by extensive numerical Monte Carlo simulations.

  9. Preferential solvation of lysozyme in dimethyl sulfoxide/water binary mixture probed by terahertz spectroscopy.

    PubMed

    Das, Dipak Kumar; Patra, Animesh; Mitra, Rajib Kumar

    2016-09-01

    We report the changes in the hydration dynamics around a model protein hen egg white lysozyme (HEWL) in water-dimethyl sulfoxide (DMSO) binary mixture using THz time domain spectroscopy (TTDS) technique. DMSO molecules get preferentially solvated at the protein surface, as indicated by circular dichroism (CD) and Fourier transform infrared (FTIR) study in the mid-infrared region, resulting in a conformational change in the protein, which consequently modifies the associated hydration dynamics. As a control we also study the collective hydration dynamics of water-DMSO binary mixture and it is found that it follows a non-ideal behavior owing to the formation of DMSO-water clusters. It is observed that the cooperative dynamics of water at the protein surface does follow the DMSO-mediated conformational modulation of the protein. PMID:27372901

  10. Regulation of dispersion of carbon nanotubes in binary water+1-Cyclohexyl-2-pyrrolidone mixtures

    NASA Astrophysics Data System (ADS)

    Deriabina, O.; Lebovka, N.; Bulavin, L.; Goncharuk, A.

    2014-05-01

    The microstructure and electrical conductivity of suspensions of multi-walled carbon nanotubes (MWCNTs) in binary water+1-Cyclohexyl-2-pyrrolidone (CHP) liquid mixtures were studied in the temperature interval of 253-318 K, in the heating and cooling cycles. The concentration of MWCNTs was varied in the interval between 0 and 1 wt% and the content of water in a binary mixture X=[water]/([CHP]+[water]) was varied within 0-1.0. The experimental data have shown that dispersing quality of MWCNTs in a mixture of good (CHP) and bad (water) solvents may be finely regulated by adjustment of composition of the CHP+water mixtures. The aggregation ability of MWCNTs in dependence on X was discussed. The surface of MWCNT clusters was highly tortuous, its fractal dimension df increased with increase of X, approaching ≈1.9 at X→1. It was concluded that the surface tension is not suitable characteristic for prediction of dispersion ability in the mixture of good and bad solvents. The electrical conductivity data evidenced the presence of a fuzzy-type percolation with multiple thresholds in the systems under investigation. This behavior was explained by formation of different percolation networks in dependence of MWCNT concentration.

  11. Detection And Discrimination Of Pure Gases And Binary Mixtures Using A Single Microcantilever

    SciTech Connect

    Loui, A; Sirbuly, D J; Elhadj, S; McCall, S K; Hart, B R; Ratto, T V

    2009-08-06

    A new method for detecting and discriminating pure gases and binary mixtures has been investigated. This approach combines two distinct physical mechanisms within a single piezoresistive microcantilever: heat dissipation and resonant damping in the viscous regime. An experimental study of the heat dissipation mechanism indicates that the sensor response is directly correlated to the thermal conductivity of the gaseous analyte. A theoretical data set of resonant damping was generated corresponding to the gas mixtures examined in the thermal response experiments. The combination of the thermal and resonant response data yields more distinct analyte signatures that cannot otherwise be obtained from the detection modes individually.

  12. Dependences between the boiling point of binary aqueous-organic mixtures and their composition

    NASA Astrophysics Data System (ADS)

    Preobrazhenskii, M. P.; Rudakov, O. B.

    2015-01-01

    The optimum three-parametric regression basis set that reflects the properties of permutation symmetry and takes into account the specificity of isobars of aqueous-organic mixtures is constructed. The optimum algorithm for the calculation of the regression parameters of the boiling point isobars is proposed. The parameters are calculated for a series of systems. The accuracy of the method proposed for the regression description of the dependence of the boiling point of binary aqueous-organic mixtures on the composition is determined by empirical inaccuracies and is sufficient for the most part of practical applications. Methods for increasing the accuracy of the regression description of equilibrium homogeneous systems are formulated.

  13. Optical studies on smectic phases in binary mixture of liquid crystals

    NASA Astrophysics Data System (ADS)

    Govindaiah, T. N.; Sreepad, H. R.; Nagaraja, N.; Sridhara, G. R.; Ravi, H. R.

    2015-06-01

    The binary mixture of two non-mesogenic compounds viz., Didodecyl dimethyl ammonium bromide (DDAB) and ethylene glycol (EG) exhibits different liquid crystalline phase's at large range of concentrations and temperature. The concentrations with lower / higher percentage of DDAB exhibit I-SmA-SmC*-SmE-K sequentially when the specimen is cooled from isotropic phase. Different liquid crystalline phases observed in the mixture were studied using DSC, X-ray, and Optical microscopic techniques. The temperature variations of optical anisotropy have also been discussed.

  14. Phase diagram involving the mesomorphic behavior of binary mixture of sodium oleate and orthophosphoric acid

    NASA Astrophysics Data System (ADS)

    Govindaiah, T. N.; Sreepad, H. R.

    2015-04-01

    The present investigation deals with the binary mixture of two non-mesogenic compounds, viz. sodium oleate (Naol) and orthophosphoric acid (H3PO4) which exhibits very interesting liquid crystalline smectic phases at large range of concentrations and temperature. The mixtures with concentrations ranging from 10% to 90% Naol in H3PO4 exhibit SmA, SmC, SmE and SmB phases, sequentially when the specimen is cooled from its isotropic phase. Physical properties, such as ultrasonic velocity, adiabatic compressibility and molar compressibility, show anomalous behavior at the isotropic to mesosphase transition.

  15. Production and delivery of a fluid mixture to an annular volume of a wellbore

    DOEpatents

    Hermes, Robert E.; Bland, Ronald Gene; Foley, Ron Lee; Bloys, James B.; Gonzalez, Manuel E.; Daniel, John M.; Robinson, Ian M.; Carpenter, Robert B.

    2012-01-24

    The methods described herein generally relate to preparing and delivering a fluid mixture to a confined volume, specifically an annular volume located between two concentrically oriented casing strings within a hydrocarbon fluid producing well. The fluid mixtures disclosed herein are useful in controlling pressure in localized volumes. The fluid mixtures comprise at least one polymerizable monomer and at least one inhibitor. The processes and methods disclosed herein allow the fluid mixture to be stored, shipped and/or injected into localized volumes, for example, an annular volume defined by concentric well casing strings.

  16. On the unsteady-state species separation of a binary liquid mixture in a rectangular thermogravitational column.

    PubMed

    Haugen, Kjetil B; Firoozabadi, Abbas

    2006-02-01

    This paper investigates the unsteady-state species segregation of binary liquid mixtures in rectangular thermogravitational columns. The analysis leads to a procedure to obtain both molecular and thermal diffusion coefficients from transient separation measurements. Two models are presented: first, an ideal model where buoyancy only depends on temperature and second, a general model where buoyancy also varies with composition. Steady-state measurements are not required regardless of which model is chosen. As a result, the new procedure is faster than steady-state procedures. When either the molecular or thermal diffusion coefficient is known a priori, the other can be obtained without knowledge of fluid properties such as density, viscosity, thermal expansion, and compositional coefficients. PMID:16468889

  17. Picosecond solvation dynamics—A potential viewer of DMSO—Water binary mixtures

    NASA Astrophysics Data System (ADS)

    Banik, Debasis; Kundu, Niloy; Kuchlyan, Jagannath; Roy, Arpita; Banerjee, Chiranjib; Ghosh, Surajit; Sarkar, Nilmoni

    2015-02-01

    In this work, we have investigated the composition dependent anomalous behavior of dimethyl sulfoxide (DMSO)-water binary mixture by collecting the ultrafast solvent relaxation response around a well known solvation probe Coumarin 480 (C480) by using a femtosecond fluorescence up-conversion spectrometer. Recent molecular dynamics simulations have predicted two anomalous regions of DMSO-water binary mixture. Particularly, these studies encourage us to investigate the anomalies from experimental background. DMSO-water binary mixture has repeatedly given evidences of its dual anomalous nature in front of our systematic investigation through steady-state and time-resolved measurements. We have calculated average solvation times of C480 by two individual well-known methods, among them first one is spectral-reconstruction method and another one is single-wavelength measurement method. The results of both the methods roughly indicate that solvation time of C480 reaches maxima in the mole fraction of DMSO XD = 0.12-0.17 and XD = 0.27-0.35, respectively. Among them, the second region (XD = 0.27-0.35) is very common as most of the thermodynamic properties exhibit deviation in this range. Most probably, the anomalous solvation trend in this region is fully guided by the shear viscosity of the medium. However, the first region is the most interesting one. In this region due to formation of strongly hydrogen bonded 1DMSO:2H2O complexes, hydration around the probe C480 decreases, as a result of which solvation time increases.

  18. Smectic, nematic, and isotropic phases in binary mixtures of thin and thick hard spherocylinders.

    PubMed

    Cinacchi, Giorgio; Martínez-Ratón, Yuri; Mederos, Luis; Velasco, Enrique

    2006-06-21

    A second-virial Onsager theory, based on Parsons-Lee rescaling and suitably extended to deal with multicomponent systems and smectic phases, has been used to calculate the phase diagram of a collection of binary mixtures of thin and thick hard spherocylinders. In particular, two types of phase diagrams are investigated. First, a number of binary mixtures where the two components have the same total length have been considered; in addition, the phase diagram of a binary mixture where the two components have the same volume has been calculated. For the particles of one of the two components, the length of the cylindrical part and the diameter have always been set equal to 5 and 1, respectively. Spherocylinders of the same total length and different diameter tend to demix considerably as soon as the diameter ratio deviates from unity. This happens especially at high pressures, when at least the phase richer in the thicker component is smectic. In the case where the two components have equal volumes, demixing is further increased due to the disparity not only in particle diameter but also in particle lengths. The incorporation of inhomogeneous layered phases is seen to alter significantly the phase diagrams calculated if only homogeneous phases are allowed, since transitions to a smectic phase often preempt those to a nematic or an isotropic phase. The apparent versatility of the recent experimental techniques suggests that the phase diagram features predicted by the theory might be also observed in real systems. PMID:16821950

  19. Composition and thermal analysis of binary mixtures of mee fat and palm stearin.

    PubMed

    Abdul Manaf, Yanty Noorziana; Nazrim Marikkar, Jalaldeen Mohammed; Musthafa, Shuhaimi; Saari, Miskandar Mat

    2014-01-01

    Seed fat of Madhuca longifolia known as mee fat (MF) has been considered as a potential plant fat for producing fat mixture to simulate the properties of lard. A study was carried out to evaluate the effect of addition of palm stearin (PS) on the solidification behavior of MF to formulate a mixture to become similar in solidification characteristics of lard. Three fat mixtures were prepared by blending MF with palm stearin PS in different ratios: MF:PS (99.5:0.5), MF:PS (99:1), MF:PS (98:2) (w/w), and identified by the mass ratio of MF to PS. The fat mixtures were compared with lard in terms of their fatty acid and triacylglycerol compositions, differential scanning calorimetric (DSC) thermal profiles and solid fat content (SFC) characteristics. Results showed that there were considerable differences between lard and MF:PS fat mixtures with regard to fatty acid and triacylglycerol compositions. The increasing proportion of PS in MF:PS fat mixtures caused a general increase in SFC at different temperatures with respect to the SFC profile of native MF. Of the three binary mixtures, MF:PS (99:1) was found to show the least difference to lard in terms of SFC values throughout the temperature range. PMID:24671022

  20. Joint toxic action of binary metal mixtures of copper, manganese and nickel to Paronychiurus kimi (Collembola).

    PubMed

    Son, Jino; Lee, Yun-Sik; Kim, Yongeun; Shin, Key-Il; Hyun, Seunghun; Cho, Kijong

    2016-10-01

    The joint toxic effects of binary metal mixtures of copper (Cu), manganese (Mn) and nickel (Ni) on reproduction of Paronhchiurus kimi (Lee) was evaluated using a toxic unit (TU) approach by judging additivity across a range of effect levels (10-90%). For all metal mixtures, the joint toxic effects of metal mixtures on reproduction of P. kimi decreased in a TU-dependent manner. The joint toxic effects of metal mixtures also changed from less than additive to more than additive at an effect level lower than or equal to 50%, while a more than additive toxic effects were apparent at higher effect levels. These results indicate that the joint toxicity of metal mixtures is substantially different from that of individual metals based on additivity. Moreover, the close relationship of toxicity to effect level suggests that it is necessary to encompass a whole range of effect levels rather than a specific effect level when judging mixture toxicity. In conclusion, the less than additive toxicity at low effect levels suggests that the additivity assumption is sufficiently conservative to warrant predicting joint toxicity of metal mixtures, which may give an additional margin of safety when setting soil quality standards for ecological risk assessment. PMID:27318557

  1. Spectroscopic and Chemometric Analysis of Binary and Ternary Edible Oil Mixtures: Qualitative and Quantitative Study.

    PubMed

    Jović, Ozren; Smolić, Tomislav; Primožič, Ines; Hrenar, Tomica

    2016-04-19

    The aim of this study was to investigate the feasibility of FTIR-ATR spectroscopy coupled with the multivariate numerical methodology for qualitative and quantitative analysis of binary and ternary edible oil mixtures. Four pure oils (extra virgin olive oil, high oleic sunflower oil, rapeseed oil, and sunflower oil), as well as their 54 binary and 108 ternary mixtures, were analyzed using FTIR-ATR spectroscopy in combination with principal component and discriminant analysis, partial least-squares, and principal component regression. It was found that the composition of all 166 samples can be excellently represented using only the first three principal components describing 98.29% of total variance in the selected spectral range (3035-2989, 1170-1140, 1120-1100, 1093-1047, and 930-890 cm(-1)). Factor scores in 3D space spanned by these three principal components form a tetrahedral-like arrangement: pure oils being at the vertices, binary mixtures at the edges, and ternary mixtures on the faces of a tetrahedron. To confirm the validity of results, we applied several cross-validation methods. Quantitative analysis was performed by minimization of root-mean-square error of cross-validation values regarding the spectral range, derivative order, and choice of method (partial least-squares or principal component regression), which resulted in excellent predictions for test sets (R(2) > 0.99 in all cases). Additionally, experimentally more demanding gas chromatography analysis of fatty acid content was carried out for all specimens, confirming the results obtained by FTIR-ATR coupled with principal component analysis. However, FTIR-ATR provided a considerably better model for prediction of mixture composition than gas chromatography, especially for high oleic sunflower oil. PMID:26971405

  2. The effects of binary UV filter mixtures on the midge Chironomus riparius.

    PubMed

    Ozáez, Irene; Morcillo, Gloria; Martínez-Guitarte, José-Luis

    2016-06-15

    Organic ultraviolet (UV) filters are used in a wide variety of products, including cosmetics, to prevent damage from UV light in tissues and industrial materials. Their extensive use has raised concerns about potential adverse effects in human health and aquatic ecosystems that accumulate these pollutants. To increase sun radiation protection, UV filters are commonly used in mixtures. Here, we studied the toxicity of binary mixtures of 4-methylbenzylidene camphor (4MBC), octyl-methoxycinnamate (OMC), and benzophenone-3 (BP-3), by evaluating the larval mortality of Chironomus riparius. Also molecular endpoints have been analyzed, including alterations in the expression levels of a gene related with the endocrine system (EcR, ecdysone receptor) and a gene related with the stress response (hsp70, heat shock protein 70). The results showed that the mortality caused by binary mixtures was similar to that observed for each compound alone; however, some differences in LC50 were observed between groups. Gene expression analysis showed that EcR mRNA levels increased in the presence of 0.1mg/L 4MBC but returned to normal levels after exposure to mixtures of 4MBC with 0.1, 1, and 10mg/L of BP-3 or OMC. In contrast, the hsp70 mRNA levels increased after exposure to the combinations tested of 4MBC and BP-3 or OMC mixtures. These data suggest that 4MBC, BP-3, and OMC may have antagonist effects on EcR gene transcription and a synergistic effect on hsp70 gene activation. This is the first experimental study to show the complex patterned effects of UV filter mixtures on invertebrates. The data suggest that the interactions within these chemicals mixtures are complex and show diverse effects on various endpoints. PMID:26971216

  3. Anomalous separation of homogeneous particle-fluid mixtures: Further observations

    NASA Astrophysics Data System (ADS)

    Husain, H. S.; Hussain, F.; Goldshtik, M.

    1995-11-01

    Previously, we reported the puzzling phenomenon of separation of components from an initially uniform mixture (air and smoke) in a rotating flow device (a cylindrical can with a rotating end disk). Here we summarize further studies of this phenomenon through experiments, analysis of particle forces, and direct numerical simulation (DNS). Separation of spherical polystyrene particles when immersed in water or pure alcohol lends further credence to the phenomenon. We have studied the dependence of the particle-free column size and its establishment time on particle size, particle concentration, disk and cylinder Reynolds numbers, and fluid composition. The evolution of passive markers in DNS shows segregation similar to that observed in experiments, supporting our kinematic separation hypothesis. However, kinematic action, though important, is inadequate to explain the ``antidiffusion'' phenomenon. Although estimates show that known particle forces cannot account for the particle separation, experimental results suggest the action of a yet unknown lift force whose effect is magnified kinematically in our apparatus. At high particle concentrations or when a small amount of solute (e.g. sugar, salt, or alcohol) is added to water polystyrene particle mixtures, the flow within the column becomes unstable and the particle-free column loses its axial symmetry; this unusual behavior is not yet clearly understood.

  4. True molecular solutions of natural cellulose in the binary ionic liquid-containing solvent mixtures.

    PubMed

    Rein, Dmitry M; Khalfin, Rafail; Szekely, Noemi; Cohen, Yachin

    2014-11-01

    Evidence is presented for the first time of true molecular dissolution of cellulose in binary mixtures of common polar organic solvents with ionic liquid. Cryogenic transmission electron microscopy, small-angle neutron-, X-ray- and static light scattering were used to investigate the structure of cellulose solutions in mixture of dimethyl formamide and 1-ethyl-3-methylimidazolium acetate. Structural information on the dissolved chains (average molecular weight ∼ 5 × 10(4)g/mol; gyration radius ∼ 36 nm, persistence length ∼ 4.5 nm), indicate the absence of significant aggregation of the dissolved chains and the calculated value of the second virial coefficient ∼ 2.45 × 10(-2)mol ml/g(2) indicates that this solvent system is a good solvent for cellulose. More facile dissolution of cellulose could be achieved in solvent mixtures that exhibit the highest electrical conductivity. Highly concentrated cellulose solution in pure ionic liquid (27 wt.%) prepared according to novel method, utilizing the rapid evaporation of a volatile co-solvent in binary solvent mixtures at superheated conditions, shows insignificant cellulose molecular aggregation. PMID:25129726

  5. Gain measurements in binary and ternary dye mixture solutions under nitrogen laser excitation

    NASA Astrophysics Data System (ADS)

    Sanghi, Sujata; Mohan, D.; Singh, R. D.

    1997-05-01

    Energy transfer studies in the case of binary [Coumarin 485 (C485) + Rhodamine 610 perchlorate (Rh 610)] and ternary [C440 + C485 + Rh610 perchlorate] dye mixture solutions in ethanol have been made and discussed through optical gain characteristics at various acceptor concentrations and pump powers of the N 2-laser. In case of binary mixtures, we observe that the optical gain of the acceptor dye (Rh610) improves and the threshold power required for lasing action decreases when donor dye (C485) is added. The concentration dependence of peak gain and peak lasing wavelength of the energy transfer dye laser (ETDL) has been studied. The results have also been compared with the optical gain characteristics of these dyes in single component solutions. The energy transfer rate constants ( KF, the Förster type non-radiative and KR, the radiative rate constants) and critical transfer radius ( Ro) have been calculated using a Stern-Volmer analysis of the pump power dependence of the gain. From the experimental results, we find that the dominant mechanism responsible for efficient excitation transfer in this bimixture is of a radiative nature. Further, the gain equation for a ternary dye mixture has been derived using the transfer rate constants for two different possible bimixtures; C440 + C485 and C485 + Rh610, which is helpful in obtaining the optimum concentration to be used in the ternary mixture for higher gains.

  6. Inherent structures of phase-separating binary mixtures: nucleation, spinodal decomposition, and pattern formation.

    PubMed

    Sarkar, Sarmistha; Bagchi, Biman

    2011-03-01

    An energy landscape view of phase separation and nonideality in binary mixtures is developed by exploring their potential energy landscape (PEL) as functions of temperature and composition. We employ molecular dynamics simulations to study a model that promotes structure breaking in the solute-solvent parent binary liquid, at low temperatures. The PEL of the system captures the potential energy distribution of the inherent structures (IS) of the system and is obtained by removing the kinetic energy (including that of intermolecular vibrations). The broader distribution of the inherent structure energy for structure breaking liquid than that of the structure making liquid demonstrates the larger role of entropy in stabilizing the parent liquid of the structure breaking type of binary mixtures. At high temperature, although the parent structure of the structure breaking binary mixture is homogenous, the corresponding inherent structure is found to be always phase separated, with a density pattern that exhibits marked correlation with the energy of its inherent structure. Over a broad range of intermediate inherent structure energy, bicontinuous phase separation prevails with interpenetrating stripes as signatures of spinodal decomposition. At low inherent structure energy, the structure is largely phase separated with one interface where as at high inherent structure energy we find nucleation type growth. Interestingly, at low temperature, the average inherent structure energy () exhibits a drop with temperature which signals the onset of crystallization in one of the phases while the other remains in the liquid state. The nonideal composition dependence of viscosity is anticorrelated with average inherent structure energy. PMID:21517506

  7. Measurement of thermodiffusion coefficient in n-alkane binary mixtures: composition dependence.

    PubMed

    Madariaga, J A; Santamaría, C; Bou-Ali, M Mounir; Urteaga, P; Alonso De Mezquia, D

    2010-05-27

    In this work, we have measured the thermodiffusion coefficient of different n-alkane binary mixtures at several concentrations using the thermogravitational technique. In particular, we have studied the n-dodecane/n-heptane system as a function of composition and other systems covering a large range of mass differences and concentration at 25 degrees C and 1 atm. The results show that for any concentration the thermodiffusion coefficient of n-alkane mixtures is proportional to the mass difference between the components and to the ratio of the thermal expansion coefficient and viscosity of the mixture. The obtained equation allows us to determine the infinite dilution values of the thermodiffusion coefficient. We compare these values with recent experimental results in dilute polymer solutions and analyze the Brenner theory of thermodiffusion. Finally, it is shown that the thermodiffusion coefficient depends linearly with the mass fraction, and it can be calculated from the viscosity and thermal expansion of the pure components. PMID:20429569

  8. Neural coding of binary mixtures in a structurally related odorant pair

    PubMed Central

    Cruz, Georgina; Lowe, Graeme

    2013-01-01

    The encoding of odorant mixtures by olfactory sensory neurons depends on molecular interactions at peripheral receptors. However, the pharmacological basis of these interactions is not well defined. Both competitive and noncompetitive mechanisms of receptor binding and activation, or suppression, could contribute to coding. We studied this by analyzing responses of olfactory bulb glomeruli evoked by a pair of structurally related odorants, eugenol (EG) and methyl isoeugenol (MIEG). Fluorescence imaging in synaptopHluorin (spH) mice revealed that EG and MIEG evoked highly overlapped glomerular inputs, increasing the likelihood of mixture interactions. Glomerular responses to binary mixtures of EG and MIEG mostly showed hypoadditive interactions at intermediate and high odorant concentrations, with a few near threshold responses showing hyperadditivity. Dose-response profiles were well fitted by a model of two odorants competitively binding and activating a shared receptor linked to a non-linear transduction cascade. We saw no evidence of non-competitive mechanisms. PMID:23386975

  9. Heat Transfer and Pressure Drop in Concentric Annular Flows of Binary Inert Gas Mixtures

    NASA Technical Reports Server (NTRS)

    Reid, R. S.; Martin, J. J.; Yocum, D. J.; Stewart, E. T.

    2007-01-01

    Studies of heat transfer and pressure drop of binary inert gas mixtures flowing through smooth concentric circular annuli, tubes with fully developed velocity profiles, and constant heating rate are described. There is a general lack of agreement among the constant property heat transfer correlations for such mixtures. No inert gas mixture data exist for annular channels. The intent of this study was to develop highly accurate and benchmarked pressure drop and heat transfer correlations that can be used to size heat exchangers and cores for direct gas Brayton nuclear power plants. The inside surface of the annular channel is heated while the outer surface of the channel is insulated. Annulus ratios range 0.5 < r* < 0.83. These smooth tube data may serve as a reference to the heat transfer and pressure drop performance in annuli, tubes, and channels having helixes or spacer ribs, or other surfaces.

  10. Detection of phase separation in fluid phosphatidylserine/phosphatidylcholine mixtures.

    PubMed

    Hinderliter, A K; Huang, J; Feigenson, G W

    1994-11-01

    The nonideal mixing of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoserine, (16:0, 18:1)PS, and 1,2-didodecenoyl-sn-glycero-3-phosphocholine, (12:1, 12:1)PC, in fluid lamellar model membranes was studied by measuring binding of aqueous Ca2+ ions and by x-ray diffraction. A region of two-phase coexistence was found by invariance of the aqueous concentration and by the appearance of two sets of lamellar spacings. The phases were identified as fluid from the diffuse x-ray diffraction in the wide-angle region. The width of the two-phase coexistence region was greater at higher ionic strength. In 800 mM KCl, the phase boundaries were at PS mole fraction 0.5 and 0.8. In 100 mM KCl, the phase boundaries were at PS mole fraction 0.52 and 0.62. Monte Carlo simulations of the lateral distributions of these PS/PC mixtures show pronounced clustering of the lipids. PMID:7858127