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Sample records for binary acetonitrile-water mixtures

  1. Another glimpse over the salting-out assisted liquid-liquid extraction in acetonitrile/water mixtures.

    PubMed

    Valente, Inês Maria; Gonçalves, Luís Moreira; Rodrigues, José António

    2013-09-20

    The use of the salting-out effect in analytical chemistry is very diverse and can be applied to increase the volatility of the analytes in headspace extractions, to cause the precipitation of proteins in biological samples or to improve the recoveries in liquid-liquid extractions. In the latter, the salting-out process can be used to create a phase separation between water-miscible organic solvents and water. Salting-out assisted liquid-liquid extraction (SALLE) is an advantageous sample preparation technique aiming HPLC-UV analysis when developing analytical methodologies. In fact, some new extraction methodologies like QuEChERS include the SALLE concept. This manuscript discusses another point of view over SALLE with particular emphasis over acetonitrile-water mixtures for HPLC-UV analysis; the influence of the salting-out agents, their concentration and the water-acetonitrile volume ratios were the studied parameters. α-dicarbonyl compounds and beer were used as test analytes and test samples, respectively. The influence of the studied parameters was characterized by the obtained phase separation volume ratio and the fraction of α-dicarbonyls extracted to the acetonitrile phase. Results allowed the distribution of salts within three groups according to the phase separation and their extractability: (1) chlorides and acetates, (2) carbonates and sulfates and (3) magnesium sulfate; of all tested salts, sodium chloride had the highest influence on the α-dicarbonyls fraction extracted. PMID:23958692

  2. 1-(2-Methoxybenzylidene)-4-phenylthiosemicarbazide as OFF-ON fluorescent chemodosimeter for detection of Cu 2+ in acetonitrile-water binary solvents

    NASA Astrophysics Data System (ADS)

    Liu, Zhao; Lin, Li-Rong; Huang, Rong-Bin; Zheng, Lan-Sun

    2008-12-01

    A novel fluorescent chemodosimeter, 1-(2-methoxybenzylidene)-4-phenylthiolsemicarbazide, was studied. In 90:10 (v/v) mixture of CH 3CN and water binary solution, it exhibits high selectivity toward Cu 2+ but very low response toward other competitive cations. The Cu 2+ promoting cyclization of the thiosemicarbazide to 1,2,4-triazole-3(4 H)-thione ring results in observation of the turn-on fluorescence.

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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

  11. 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.

  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. 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.

  14. 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

  15. 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.

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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.}

  7. 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

  8. 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.

  9. 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

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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.

  18. 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.

  19. 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

  20. Carbon-hydrogen vs. carbon-carbon bond cleavage of 1,2-diarylethane radical cations in acetonitrile-water

    SciTech Connect

    Camaioni, D.M.; Franz, J.A.

    1984-05-04

    Radical cations of 1,2-diarylethanes and 1-phenyl-2-arylethanes (Ar = phenyl, p-tolyl, p-anisyl) were generated in acidic 70% acetonitrile-water by Cu/sup 2 +/-catalyzed peroxydisulfate oxidation. The radical cations fragment mainly by loss of benzylic protons (C-H cleavage) rather than by alkyl C-C bond cleavage. The 1,2-diarylethanol products undergo further selective oxidation to aryl aldehydes and arylmethanols via rapid equilibration of diarylethane and diarylethanol radical cations. The radical cation of 2,3-dimethyl-2,3-diphenylbutane fragments efficiently by C-C cleavage, forming cumyl radical and cumyl cation. Oxidations of bibenzyl-bicumyl mixtures show selective oxidation of bicumyl dependent on total substrate concentration, providing evidence of equilibrating radical cations and showing that bicumyl fragments faster than bibenzyl loses protons. The effects of reaction conditions and substrate structure on reactivity are discussed.

  1. 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

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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

  17. 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

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. 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).

  10. 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.

  11. 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.

  12. 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

  13. 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

  14. 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

  15. 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.

  16. 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

  17. 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 ...

  18. 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

  19. 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...

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  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. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. 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)].

  19. 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.

  20. 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.

  1. 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...

  2. 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.

  3. 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 ...

  4. 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.

  5. 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...

  6. 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

  7. 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, ...

  8. 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...

  9. 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.

  10. 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

  11. 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

  12. 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

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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

  18. 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.

  19. 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.

  20. 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

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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

  9. 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

  10. 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

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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.

  16. 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

  17. 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

  18. 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.

  19. 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

  20. 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

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

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

    SciTech Connect

    Stephen M Bajorek; J. Schnelle

    2002-05-01

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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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

  13. 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

  14. 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

  15. 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.

  16. 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

  17. 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.

  18. 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

  19. 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

  20. 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

  1. 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

  2. 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.

  3. 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.

  4. 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

  5. Acute toxicity of binary and ternary mixtures of Cd, Cu, and Zn to Daphnia magna.

    PubMed

    Meyer, Joseph S; Ranville, James F; Pontasch, Mandee; Gorsuch, Joseph W; Adams, William J

    2015-04-01

    Standard static-exposure acute lethality tests were conducted with Daphnia magna neonates exposed to binary or ternary mixtures of Cd, Cu, and Zn in moderately hard reconstituted water that contained 3 mg dissolved organic carbon/L added as Suwannee River fulvic acid. These experiments were conducted to test for additive toxicity (i.e., the response to the mixture can be predicted by combining the responses obtained in single-metal toxicity tests) or nonadditive toxicity (i.e., the response is less than or greater than additive). Based on total metal concentrations (>90% dissolved) the toxicity of the tested metal mixtures could be categorized into all 3 possible additivity categories: less-than-additive toxicity (e.g., Cd-Zn and Cd-Cu-Zn mixtures and Cd-Cu mixtures when Cu was titrated into Cd-containing waters), additive toxicity (e.g., some Cu-Zn mixtures), or more-than-additive toxicity (some Cu-Zn mixtures and Cd-Cu mixtures when Cd was titrated into Cu-containing waters). Exposing the organisms to a range of sublethal to supralethal concentrations of the titrated metal was especially helpful in identifying nonadditive interactions. Geochemical processes (e.g., metal-metal competition for binding to dissolved organic matter and/or the biotic ligand, and possibly supersaturation of exposure waters with the metals in some high-concentration exposures) can explain much of the observed metal-metal interactions. Therefore, bioavailability models that incorporate those geochemical (and possibly some physiological) processes might be able to predict metal mixture toxicity accurately. PMID:25336231

  6. Ideal gas solubilities and solubility selectivities in a binary mixture of room-temperature ionic liquids

    SciTech Connect

    Finotello Alexia; Bara Jason E.; Narayan Suguna; Campder Dean; Noble Richard D.

    2008-07-01

    This study focuses on the solubility behaviors of CO{sub 2}, CH{sub 4}, and N{sub 2} gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using l-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)-imide ((C{sub 2}mim)(Tf{sub 2}N)) and l-ethyl-3-methylimidazolium tetrafluoroborate ((C{sub 2}mim)(BF{sub 4})) at 40{sup o}C and low pressures (about 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % (C{sub 2}mim)(BF{sub 4}) in (C{sub 2}-mim)(Tf2{sub N}). Results show that regular solution theory (RST) can be used to describe the gas solubility and selectivity behaviors in RTIL mixtures using an average mixture solubility parameter or an average measured mixture molar volume. Interestingly, the solubility selectivity, defined as the ratio of gas mole fractions in the RTIL mixture, of CO{sub 2} with N{sub 2} or CH{sub 4} in pure (C{sub 2}mim)(BF4) can be enhanced by adding 5 mol% (C{sub 2}-mim)(Tf{sub 2}N).

  7. 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

  8. 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

  9. Implementation of Ultrasonic Sensing for High Resolution Measurement of Binary Gas Mixture Fractions

    PubMed Central

    Bates, Richard; Battistin, Michele; Berry, Stephane; Bitadze, Alexander; Bonneau, Pierre; Bousson, Nicolas; Boyd, George; Bozza, Gennaro; Crespo-Lopez, Olivier; Riva, Enrico Da; Degeorge, Cyril; Deterre, Cecile; DiGirolamo, Beniamino; Doubek, Martin; Favre, Gilles; Godlewski, Jan; Hallewell, Gregory; Hasib, Ahmed; Katunin, Sergey; Langevin, Nicolas; Lombard, Didier; Mathieu, Michel; McMahon, Stephen; Nagai, Koichi; Pearson, Benjamin; Robinson, David; Rossi, Cecilia; Rozanov, Alexandre; Strauss, Michael; Vitek, Michal; Vacek, Vaclav; Zwalinski, Lukasz

    2014-01-01

    We describe an ultrasonic instrument for continuous real-time analysis of the fractional mixture of a binary gas system. The instrument is particularly well suited to measurement of leaks of a high molecular weight gas into a system that is nominally composed of a single gas. Sensitivity < 5 × 10−5 is demonstrated to leaks of octaflouropropane (C3F8) coolant into nitrogen during a long duration (18 month) continuous study. The sensitivity of the described measurement system is shown to depend on the difference in molecular masses of the two gases in the mixture. The impact of temperature and pressure variances on the accuracy of the measurement is analysed. Practical considerations for the implementation and deployment of long term, in situ ultrasonic leak detection systems are also described. Although development of the described systems was motivated by the requirements of an evaporative fluorocarbon cooling system, the instrument is applicable to the detection of leaks of many other gases and to processes requiring continuous knowledge of particular binary gas mixture fractions. PMID:24961217

  10. Implementation of ultrasonic sensing for high resolution measurement of binary gas mixture fractions.

    PubMed

    Bates, Richard; Battistin, Michele; Berry, Stephane; Bitadze, Alexander; Bonneau, Pierre; Bousson, Nicolas; Boyd, George; Bozza, Gennaro; Crespo-Lopez, Olivier; Da Riva, Enrico; Degeorge, Cyril; Deterre, Cecile; DiGirolamo, Beniamino; Doubek, Martin; Favre, Gilles; Godlewski, Jan; Hallewell, Gregory; Hasib, Ahmed; Katunin, Sergey; Langevin, Nicolas; Lombard, Didier; Mathieu, Michel; McMahon, Stephen; Nagai, Koichi; Pearson, Benjamin; Robinson, David; Rossi, Cecilia; Rozanov, Alexandre; Strauss, Michael; Vitek, Michal; Vacek, Vaclav; Zwalinski, Lukasz

    2014-01-01

    We describe an ultrasonic instrument for continuous real-time analysis of the fractional mixture of a binary gas system. The instrument is particularly well suited to measurement of leaks of a high molecular weight gas into a system that is nominally composed of a single gas. Sensitivity < 5 × 10(-5) is demonstrated to leaks of octaflouropropane (C3F8) coolant into nitrogen during a long duration (18 month) continuous study. The sensitivity of the described measurement system is shown to depend on the difference in molecular masses of the two gases in the mixture. The impact of temperature and pressure variances on the accuracy of the measurement is analysed. Practical considerations for the implementation and deployment of long term, in situ ultrasonic leak detection systems are also described. Although development of the described systems was motivated by the requirements of an evaporative fluorocarbon cooling system, the instrument is applicable to the detection of leaks of many other gases and to processes requiring continuous knowledge of particular binary gas mixture fractions. PMID:24961217

  11. Quantitative measurements of binary amino acids mixtures in yellow foxtail millet by terahertz time domain spectroscopy.

    PubMed

    Lu, Shaohua; Zhang, Xin; Zhang, Zhuoyong; Yang, Yuping; Xiang, Yuhong

    2016-11-15

    Terahertz time domain spectroscopy (THz-TDS) combined with chemometrics has been utilized for the qualitative and quantitative analysis of binary mixtures of l-glutamic acid and l-glutamine which have similar chemical structures and properties. The binary mixtures of amino acids were prepared with yellow foxtail millet matrix, substituted for polyethylene (PE) as previously reported. After proper pretreatment of absorption spectra, quantitative analysis was achieved by partial least squares (PLS) and interval partial least squares (iPLS) regressions. The performance of models was evaluated based on the root mean square error of prediction (RMSEP) and correlation coefficient (R(2)) of cross-validations with bootstrapped Latin partitions as criterion. The iPLS yielded better results with low RMSEP (0.39±0.02%, 0.39±0.02%), and higher R(2) values (0.9904, 0.9906) for glutamine and glutamic acid comparing to the conventional PLS models. Multivariate curve resolution alternating least squares (MCR-ALS) was successfully applied for resolution of pure THz spectra and concentration profiles of two amino acids components from mixtures. PMID:27283659

  12. Novel two wavelength spectrophotometric methods for simultaneous determination of binary mixtures with severely overlapping spectra.

    PubMed

    Lotfy, Hayam M; Saleh, Sarah S; Hassan, Nagiba Y; Salem, Hesham

    2015-02-01

    This work presents the application of different spectrophotometric techniques based on two wavelengths for the determination of severely overlapped spectral components in a binary mixture without prior separation. Four novel spectrophotometric methods were developed namely: induced dual wavelength method (IDW), dual wavelength resolution technique (DWRT), advanced amplitude modulation method (AAM) and induced amplitude modulation method (IAM). The results of the novel methods were compared to that of three well-established methods which were: dual wavelength method (DW), Vierordt's method (VD) and bivariate method (BV). The developed methods were applied for the analysis of the binary mixture of hydrocortisone acetate (HCA) and fusidic acid (FSA) formulated as topical cream accompanied by the determination of methyl paraben and propyl paraben present as preservatives. The specificity of the novel methods was investigated by analyzing laboratory prepared mixtures and the combined dosage form. The methods were validated as per ICH guidelines where accuracy, repeatability, inter-day precision and robustness were found to be within the acceptable limits. The results obtained from the proposed methods were statistically compared with official ones where no significant difference was observed. No difference was observed between the obtained results when compared to the reported HPLC method, which proved that the developed methods could be alternative to HPLC techniques in quality control laboratories. PMID:25467671

  13. Novel spectrophotometric methods for simultaneous determination of timolol and dorzolamide in their binary mixture

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam Mahmoud; Hegazy, Maha A.; Rezk, Mamdouh R.; Omran, Yasmin Rostom

    Two smart and novel spectrophotometric methods namely; absorbance subtraction (AS) and amplitude modulation (AM) were developed and validated for the determination of a binary mixture of timolol maleate (TIM) and dorzolamide hydrochloride (DOR) in presence of benzalkonium chloride without prior separation, using unified regression equation. Additionally, simple, specific, accurate and precise spectrophotometric methods manipulating ratio spectra were developed and validated for simultaneous determination of the binary mixture namely; simultaneous ratio subtraction (SRS), ratio difference (RD), ratio subtraction (RS) coupled with extended ratio subtraction (EXRS), constant multiplication method (CM) and mean centering of ratio spectra (MCR). The proposed spectrophotometric procedures do not require any separation steps. Accuracy, precision and linearity ranges of the proposed methods were determined and the specificity was assessed by analyzing synthetic mixtures of both drugs. They were applied to their pharmaceutical formulation and the results obtained were statistically compared to that of a reported spectrophotometric method. The statistical comparison showed that there is no significant difference between the proposed methods and the reported one regarding both accuracy and precision.

  14. Determination of molecular diffusion coefficient in n-alkane binary mixtures: empirical correlations.

    PubMed

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

    2012-03-01

    In this work we have measured the molecular diffusion coefficient of the n-alkane binary series nC(i)-nC(6), nC(i)-nC(10), and nC(i)-nC(12) at 298 K and 1 atm and a mass fraction of 0.5 by using the so-called sliding symmetric tubes technique. The results show that the diffusion coefficient at this concentration is proportional to the inverse viscosity of the mixture. In addition, we have also measured the diffusion coefficient of the systems nC(12)-nC(6), nC(12)-nC(7), and nC(12)-nC(8) as a function of concentration. From the data obtained, it is shown that the diffusion coefficient of the n-alkane binary mixtures at any concentration can be calculated from the molecular weight of the components and the dynamic viscosity of the corresponding mixture at 50% mass fraction. PMID:22263833

  15. Thermal diffusion segregation in granular binary mixtures described by the Enskog equation

    NASA Astrophysics Data System (ADS)

    Garzó, Vicente

    2011-05-01

    The diffusion induced by a thermal gradient in a granular binary mixture is analyzed here in the context of the (inelastic) Enskog equation. Although the Enskog equation neglects velocity correlations among particles that are about to collide, it retains the spatial correlations arising from volume exclusion effects and thus is expected to be applicable for moderate densities. In the steady state with gradients only along a given direction, a segregation criterion is obtained from the thermal diffusion factor Λ by measuring the amount of segregation parallel to the thermal gradient. As expected, the sign of the factor Λ provides a criterion for the transition between the Brazil-nut effect (BNE) and the reverse Brazil-nut effect (RBNE) by varying the parameters of the mixture (the masses and sizes of particles, concentration, solid volume fraction and coefficients of restitution). The form of the phase diagrams for the BNE/RBNE transition is illustrated in detail for several systems, with special emphasis on the significant role played by the inelasticity of collisions. In particular, an effect already found in dilute gases (segregation in a binary mixture of identical masses and sizes but different coefficients of restitution) is extended to dense systems. A comparison with recent computer simulation results reveals good qualitative agreement at the level of the thermal diffusion factor. The present analysis generalizes to arbitrary concentration previous theoretical results derived in the tracer limit case.

  16. Toxicity of binary mixtures of oil fractions to sea urchin embryos.

    PubMed

    Rial, Diego; Vázquez, José A; Menduiña, Araceli; García, Ana M; González, M Pilar; Mirón, Jesús; Murado, Miguel A

    2013-12-15

    The assumption of additive toxicity for oil compounds is related to a narcotic mode of action. However, the joint toxicity of oil fractions has not been fully investigated. A fractionation of Maya crude oil into aliphatics, aromatics and polars was performed, fractions were dissolved in dimethyl sulfoxide (DMSO) and subsequently toxicity of single fractions and binary mixtures was assessed using the sea urchin embryo test. The descriptive ability of Concentration Addition (CA), Independent Action (IA) and modifications of both models for describing the joint toxicity of mixtures has also been evaluated. The hydrocarbon content extractable with dichloromethane of the fractions dissolved in DMSO was: 12.0 ± 1.8 mg mL(-1), 39.0 ± 0.5 mg mL(-1) and 20.5 ± 2.5 mg mL(-1) for aliphatics, aromatics and polars, respectively. The toxicity of the extracts in DMSO of the fractions as EC50 (μLL(-1)) was: aliphatics (165.8-242.3)binary mixtures (aliphatics-aromatics, aromatics-polars) greater than the IA (aliphatics-polars) according to the Akaike Information Criterion, so CA was considered a better option than IA to explain the joint toxicity of oil fractions. In addition, synergistic or antagonistic effects were not observed. PMID:24231335

  17. Novel two wavelength spectrophotometric methods for simultaneous determination of binary mixtures with severely overlapping spectra

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam M.; Saleh, Sarah S.; Hassan, Nagiba Y.; Salem, Hesham

    2015-02-01

    This work presents the application of different spectrophotometric techniques based on two wavelengths for the determination of severely overlapped spectral components in a binary mixture without prior separation. Four novel spectrophotometric methods were developed namely: induced dual wavelength method (IDW), dual wavelength resolution technique (DWRT), advanced amplitude modulation method (AAM) and induced amplitude modulation method (IAM). The results of the novel methods were compared to that of three well-established methods which were: dual wavelength method (DW), Vierordt's method (VD) and bivariate method (BV). The developed methods were applied for the analysis of the binary mixture of hydrocortisone acetate (HCA) and fusidic acid (FSA) formulated as topical cream accompanied by the determination of methyl paraben and propyl paraben present as preservatives. The specificity of the novel methods was investigated by analyzing laboratory prepared mixtures and the combined dosage form. The methods were validated as per ICH guidelines where accuracy, repeatability, inter-day precision and robustness were found to be within the acceptable limits. The results obtained from the proposed methods were statistically compared with official ones where no significant difference was observed. No difference was observed between the obtained results when compared to the reported HPLC method, which proved that the developed methods could be alternative to HPLC techniques in quality control laboratories.

  18. Novel spectrophotometric methods for simultaneous determination of timolol and dorzolamide in their binary mixture.

    PubMed

    Lotfy, Hayam Mahmoud; Hegazy, Maha A; Rezk, Mamdouh R; Omran, Yasmin Rostom

    2014-05-21

    Two smart and novel spectrophotometric methods namely; absorbance subtraction (AS) and amplitude modulation (AM) were developed and validated for the determination of a binary mixture of timolol maleate (TIM) and dorzolamide hydrochloride (DOR) in presence of benzalkonium chloride without prior separation, using unified regression equation. Additionally, simple, specific, accurate and precise spectrophotometric methods manipulating ratio spectra were developed and validated for simultaneous determination of the binary mixture namely; simultaneous ratio subtraction (SRS), ratio difference (RD), ratio subtraction (RS) coupled with extended ratio subtraction (EXRS), constant multiplication method (CM) and mean centering of ratio spectra (MCR). The proposed spectrophotometric procedures do not require any separation steps. Accuracy, precision and linearity ranges of the proposed methods were determined and the specificity was assessed by analyzing synthetic mixtures of both drugs. They were applied to their pharmaceutical formulation and the results obtained were statistically compared to that of a reported spectrophotometric method. The statistical comparison showed that there is no significant difference between the proposed methods and the reported one regarding both accuracy and precision. PMID:24607469

  19. An Odor Interaction Model of Binary Odorant Mixtures by a Partial Differential Equation Method

    PubMed Central

    Yan, Luchun; Liu, Jiemin; Wang, Guihua; Wu, Chuandong

    2014-01-01

    A novel odor interaction model was proposed for binary mixtures of benzene and substituted benzenes by a partial differential equation (PDE) method. Based on the measurement method (tangent-intercept method) of partial molar volume, original parameters of corresponding formulas were reasonably displaced by perceptual measures. By these substitutions, it was possible to relate a mixture's odor intensity to the individual odorant's relative odor activity value (OAV). Several binary mixtures of benzene and substituted benzenes were respectively tested to establish the PDE models. The obtained results showed that the PDE model provided an easily interpretable method relating individual components to their joint odor intensity. Besides, both predictive performance and feasibility of the PDE model were proved well through a series of odor intensity matching tests. If combining the PDE model with portable gas detectors or on-line monitoring systems, olfactory evaluation of odor intensity will be achieved by instruments instead of odor assessors. Many disadvantages (e.g., expense on a fixed number of odor assessors) also will be successfully avoided. Thus, the PDE model is predicted to be helpful to the monitoring and management of odor pollutions. PMID:25010698

  20. Uphill diffusion and overshooting in the adsorption of binary mixtures in nanoporous solids.

    PubMed

    Lauerer, Alexander; Binder, Tomas; Chmelik, Christian; Miersemann, Erich; Haase, Jürgen; Ruthven, Douglas M; Kärger, Jörg

    2015-01-01

    Under certain conditions, during binary mixture adsorption in nanoporous hosts, the concentration of one component may temporarily exceed its equilibrium value. This implies that, in contrast to Fick's Law, molecules must diffuse in the direction of increasing rather than decreasing concentration. Although this phenomenon of 'overshooting' has been observed previously, it is only recently, using microimaging techniques, that diffusive fluxes in the interior of nanoporous materials have become accessible to direct observation. Here we report the application of interference microscopy to monitor 'uphill' fluxes, covering the entire period of overshooting from initiation until final equilibration. It is shown that the evolution of the profiles can be adequately predicted from the single-component diffusivities together with the binary adsorption equilibrium data. The guest molecules studied (carbon dioxide, ethane and propene) and the host material (ZSM-58 or DDR) are of practical interest in relation to the development of kinetically selective adsorption separation processes. PMID:26177626

  1. Uphill diffusion and overshooting in the adsorption of binary mixtures in nanoporous solids

    NASA Astrophysics Data System (ADS)

    Lauerer, Alexander; Binder, Tomas; Chmelik, Christian; Miersemann, Erich; Haase, Jürgen; Ruthven, Douglas M.; Kärger, Jörg

    2015-07-01

    Under certain conditions, during binary mixture adsorption in nanoporous hosts, the concentration of one component may temporarily exceed its equilibrium value. This implies that, in contrast to Fick's Law, molecules must diffuse in the direction of increasing rather than decreasing concentration. Although this phenomenon of `overshooting' has been observed previously, it is only recently, using microimaging techniques, that diffusive fluxes in the interior of nanoporous materials have become accessible to direct observation. Here we report the application of interference microscopy to monitor `uphill' fluxes, covering the entire period of overshooting from initiation until final equilibration. It is shown that the evolution of the profiles can be adequately predicted from the single-component diffusivities together with the binary adsorption equilibrium data. The guest molecules studied (carbon dioxide, ethane and propene) and the host material (ZSM-58 or DDR) are of practical interest in relation to the development of kinetically selective adsorption separation processes.

  2. Uphill diffusion and overshooting in the adsorption of binary mixtures in nanoporous solids

    PubMed Central

    Lauerer, Alexander; Binder, Tomas; Chmelik, Christian; Miersemann, Erich; Haase, Jürgen; Ruthven, Douglas M.; Kärger, Jörg

    2015-01-01

    Under certain conditions, during binary mixture adsorption in nanoporous hosts, the concentration of one component may temporarily exceed its equilibrium value. This implies that, in contrast to Fick's Law, molecules must diffuse in the direction of increasing rather than decreasing concentration. Although this phenomenon of ‘overshooting' has been observed previously, it is only recently, using microimaging techniques, that diffusive fluxes in the interior of nanoporous materials have become accessible to direct observation. Here we report the application of interference microscopy to monitor ‘uphill' fluxes, covering the entire period of overshooting from initiation until final equilibration. It is shown that the evolution of the profiles can be adequately predicted from the single-component diffusivities together with the binary adsorption equilibrium data. The guest molecules studied (carbon dioxide, ethane and propene) and the host material (ZSM-58 or DDR) are of practical interest in relation to the development of kinetically selective adsorption separation processes. PMID:26177626

  3. Flow regime and deposition pattern of evaporating binary mixture droplet suspended with particles.

    PubMed

    Zhong, Xin; Duan, Fei

    2016-02-01

    The flow regimes and the deposition pattern have been investigated by changing the ethanol concentration in a water-based binary mixture droplet suspended with alumina nanoparticles. To visualize the flow patterns, Particle Image Velocimetry (PIV) has been applied in the binary liquid droplet containing the fluorescent microspheres. Three distinct flow regimes have been revealed in the evaporation. In Regime I, the vortices and chaotic flows are found to carry the particles to the liquid-vapor interface and to promote the formation of particle aggregation. The aggregates move inwards in Regime II as induced by the Marangoni flow along the droplet free surface. Regime III is dominated by the drying of the left water and the capillary flow driving particles radially outward is observed. The relative weightings of Regimes I and II, which are enhanced with an increasing load of ethanol, determine the motion of the nanoparticles and the formation of the final drying pattern. PMID:26920521

  4. Optimizing the surface density of polyethylene glycol chains by grafting from binary solvent mixtures

    NASA Astrophysics Data System (ADS)

    Arcot, Lokanathan; Ogaki, Ryosuke; Zhang, Shuai; Meyer, Rikke L.; Kingshott, Peter

    2015-06-01

    Polyethylene glycol (PEG) brushes are very effective at controlling non-specific deposition of biological material onto surfaces, which is of paramount importance to obtaining successful outcomes in biomaterials, tissue engineered scaffolds, biosensors, filtration membranes and drug delivery devices. We report on a simple 'grafting to' approach involving binary solvent mixtures that are chosen based on Hansen's solubility parameters to optimize the solubility of PEG thereby enabling control over the graft density. The PEG thiol-gold model system enabled a thorough characterization of PEG films formed, while studies on a PEG silane-silicon system examined the versatility to be applied to any substrate-head group system by choosing an appropriate solvent pair. The ability of PEG films to resist non-specific adsorption of proteins was quantitatively assessed by full serum exposure studies and the binary solvent strategy was found to produce PEG films with optimal graft density to efficiently resist protein adsorption.

  5. 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.

  6. Adsorption Characteristics of Binary Mixtures of Two Halomethanes on Graphite Surface

    NASA Astrophysics Data System (ADS)

    Khanal, Kiran; Leuty, Gary; Tsige, Mesfin

    Understanding the physisorption mechanism of mixtures of small molecules on graphite substrate has been a growing interest in materials science in order to investigate the changes in adsorption behavior of mixtures near interfaces vs. the individual components. Using atomic-scale molecular dynamics simulations, we have studied the structure and dynamics of multilayer adsorption of binary mixtures of two halomethanes (CF4 and CF3Cl) on graphite substrates for different bulk compositions of CF4. Simulations were performed in the temperature range 60-120K. The goal of this study is to explore how the compositions of individual components as well as temperature, affect the structure of films near the interface, the mobility of molecules, the molecular orientation and the substrate affinity. Preliminary results suggest a strong influence of the concentration of CF4 and temperature on the structure and mobility of molecules in first adsorbed layer on the graphite surface. In agreement with the recent experimental results, CF4 displaces CF3Cl from the first absorbed layer at all temperatures in our range and becomes the leading component in the mixture at high temperature for large CF4 concentrations in the mixture. ``This work is supported by NSF Grant CHE #1506275''.

  7. Toxicity of binary mixtures of metal oxide nanoparticles to Nitrosomonas europaea.

    PubMed

    Yu, Ran; Wu, Junkang; Liu, Meiting; Zhu, Guangcan; Chen, Lianghui; Chang, Yan; Lu, Huijie

    2016-06-01

    Although the widely used metal oxide nanoparticles (NPs) titanium dioxide NPs (n-TiO2), cerium dioxide NPs (n-CeO2), and zinc oxide NPs (n-ZnO) have been well known for their potential cytotoxicities to environmental organisms, their combined effects have seldom been investigated. In this study, the short-term binary effect of n-CeO2 and n-TiO2 or n-ZnO on a model ammonia oxidizing bacterium, Nitrosomonas europaea were evaluated based on the examinations of cells' physiological, metabolic, and transcriptional responses. The addition of n-TiO2 mitigated the negative effect of more toxic n-CeO2 and the binary toxicity (antagonistic toxicity) of n-TiO2 and n-CeO2 was generally lower than the single NPs induced one. While the n-CeO2/n-ZnO mixture exerted higher cytotoxicity (synergistic cytotoxicity) than that from single NPs. The increased addition of the less toxic n-CeO2 exaggerated the binary toxicity of n-CeO2/n-ZnO mixture although the solubility of n-ZnO was not significantly affected, which excluded the contribution of the dissolved Zn ions to the enhancement of the combined cytotoxicity. The cell membrane disturbances and NP internalizations were detected for all the NP impacted cultures and the electrostatic interactions among the two distinct NPs and the cells were expected to play a key role in mediating their direct contacts and the eventual binary nanotoxicity to the cells. PMID:27016814

  8. Investigation and modelling approach of the mechanical properties of compacts made with binary mixtures of pharmaceutical excipients.

    PubMed

    Busignies, V; Leclerc, B; Porion, P; Evesque, P; Couarraze, G; Tchoreloff, P

    2006-08-01

    Three pharmaceutical excipients (microcrystalline cellulose, lactose, anhydrous calcium phosphate) and their binary mixtures were compacted to form compacts of various mean porosities. Some mechanical properties (Young's modulus, tensile strength and Brinell hardness) were studied on these compacts. The mechanical properties of the binary mixtures were not proportional to the mixture composition expressed in mass. More, for all the properties, a negative deviation was always observed from this linear relationship. In reference to a composition percolation phenomenon, critical mass fractions were detected from the graph mechanical property vs. mass composition of a mixture. The results obtained with Brinell hardness differed from the results of the Young's modulus and the tensile strength, i.e. the most plastic material in the binary mixture controlled the mixture behaviour. Secondly, a predictive model based on a statistical approach was proposed for the Young's modulus and the tensile strength. The validity of this model was verified on experimental data, and an interaction parameter used to characterize the affinity of the two compounds was calculated. Finally, the X-ray tomography technique was applied to the compacts of cellulose/phosphate mixtures to obtain cross-sections images of the compacts. The analysis of the cross-sections images allowed explaining the no linear relationship of the different mechanical properties results observed on these binary mixtures. PMID:16750353

  9. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOEpatents

    Christophorou, Loucas G.; Hunter, Scott R.

    1990-01-01

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc.

  10. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOEpatents

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

    1988-06-28

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc. 11 figs.

  11. Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches

    DOEpatents

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

    1990-06-26

    An improvement to the gas mixture used in diffuse glow discharge closing switches is disclosed which includes binary and ternary gas mixtures which are formulated to exhibit decreasing electron attachment with increasing temperature. This increases the efficiency of the conductance of the glow discharge and further inhibits the formation of an arc. 11 figs.

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

    SciTech Connect

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

    2015-02-07

    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 X{sub D} = 0.12–0.17 and X{sub D} = 0.27–0.35, respectively. Among them, the second region (X{sub D} = 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:2H{sub 2}O complexes, hydration around the probe C480 decreases, as a result of which solvation time increases.

  13. Picosecond solvation dynamics--a potential viewer of DMSO-water binary mixtures.

    PubMed

    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. PMID:25662652

  14. Dielectric Studies on Binary Mixtures of Diethyl Ether (DEE) in Polar Solvents

    NASA Astrophysics Data System (ADS)

    Pradhan, S. K.; Dash, S. K.; Swain, M. D.; Swain, B. B.

    2011-11-01

    Dielectric constant (ɛ) of diethylether (DEE) in binary mixtures with four polar solvents such as n-butanl, i-butanol, t-butanol and tolune has been measured at 455 kHz and at a temperature 303.15 K. The refractive indices were measured at a regulated temperature by Pulfrich refractometer at sodium D-line. The data is used to evaluate mutual correlation factor gab, excess molar polarization and excess free energy of mixing ΔGab by using Winkelmann-Quitzsch equation for binary mixtures to asses the suitability of the polar solvents as modifiers. The trend of variation for these parameters exhibit marked dependence on the nature of alcohols. Diethylether is one of the solvent extractant used for the extraction and separation of zirconium and hafnium in reactor technology. The extractant is blended with appropriate polar modifiers for greater dispersal and more rapid phase disengagement. This facilitates in the elimination of the third organo-aqueous phase containing some of the metal ions. As such the study of molecular interaction among the component molecules has been undertaken in these binary mixtures using the dielectric route. The interaction parameters such as mutual correlation factor gab is found to be less than one in all alcohols, while it is negative in toluene upto 0.7 DEE molefraction and thereafter becoming positive. The nature of variation of the excess miolar polarization ΔP and excess free energy of mixing Gab tends to support the assessment of gab to choose a suitable polar modifier.

  15. Universal amplitude ratios and the interfacial tension near consolute points of binary liquid mixtures

    NASA Technical Reports Server (NTRS)

    Moldover, M. R.; Schmidt, J. W.; Chaar, H.

    1986-01-01

    The interfacial tension of the binary liquid mixtures triethylamine/heavy water, triethylamine/water, and cyclohexane/methanol near their consolute temperatures is determined experimentally by measuring the densities of the phases and the capillary lengths. The results are presented in tables and graphs and compared with published data obtained by other methods and with theoretical predictions. The findings are shown to be in good agreement with previous experiments, confirming the discrepancy between temperature-independent universal amplitude ratios calculated from such data and those predicted by renormalization-group calculations or Monte Carlo simulations of Ising models.

  16. 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.

  17. Axial segregation of horizontally vibrated binary granular mixtures in an offset-Christmas tree channel

    NASA Astrophysics Data System (ADS)

    Bhateja, Ashish; Sharma, Ishan; Singh, Jayant K.

    2013-06-01

    We investigate segregation in a horizontally vibrated binary granular mixture in a closed offset-Christmas tree channel. The segregation phenomenon occurs in two steps: vertical sorting followed by axial segregation. In the first step, sorting occurs via Brazil-nut effect or reverse Brazil-nut effect depending on the particles' size and density ratios. The two layers thus formed then separate axially towards opposite-ends of the channel with the top layer always moving towards root of the Christmas tree. We discuss the segregation mechanism responsible for axial segregation.

  18. Different spectrophotometric methods applied for the analysis of binary mixture of flucloxacillin and amoxicillin: A comparative study.

    PubMed

    Attia, Khalid A M; Nassar, Mohammed W I; El-Zeiny, Mohamed B; Serag, Ahmed

    2016-05-15

    Three different spectrophotometric methods were applied for the quantitative analysis of flucloxacillin and amoxicillin in their binary mixture, namely, ratio subtraction, absorbance subtraction and amplitude modulation. A comparative study was done listing the advantages and the disadvantages of each method. All the methods were validated according to the ICH guidelines and the obtained accuracy, precision and repeatability were found to be within the acceptable limits. The selectivity of the proposed methods was tested using laboratory prepared mixtures and assessed by applying the standard addition technique. So, they can be used for the routine analysis of flucloxacillin and amoxicillin in their binary mixtures. PMID:26950503

  19. Different spectrophotometric methods applied for the analysis of binary mixture of flucloxacillin and amoxicillin: A comparative study

    NASA Astrophysics Data System (ADS)

    Attia, Khalid A. M.; Nassar, Mohammed W. I.; El-Zeiny, Mohamed B.; Serag, Ahmed

    2016-05-01

    Three different spectrophotometric methods were applied for the quantitative analysis of flucloxacillin and amoxicillin in their binary mixture, namely, ratio subtraction, absorbance subtraction and amplitude modulation. A comparative study was done listing the advantages and the disadvantages of each method. All the methods were validated according to the ICH guidelines and the obtained accuracy, precision and repeatability were found to be within the acceptable limits. The selectivity of the proposed methods was tested using laboratory prepared mixtures and assessed by applying the standard addition technique. So, they can be used for the routine analysis of flucloxacillin and amoxicillin in their binary mixtures.

  20. Novel spectrophotometric determination of flumethasone pivalate and clioquinol in their binary mixture and pharmaceutical formulation

    NASA Astrophysics Data System (ADS)

    Abdel-Aleem, Eglal A.; Hegazy, Maha A.; Sayed, Nour W.; Abdelkawy, M.; Abdelfatah, Rehab M.

    2015-02-01

    This work is concerned with development and validation of three simple, specific, accurate and precise spectrophotometric methods for determination of flumethasone pivalate (FP) and clioquinol (CL) in their binary mixture and ear drops. Method A is a ratio subtraction spectrophotometric one (RSM). Method B is a ratio difference spectrophotometric one (RDSM), while method C is a mean center spectrophotometric one (MCR). The calibration curves are linear over the concentration range of 3-45 μg/mL for FP, and 2-25 μg/mL for CL. The specificity of the developed methods was assessed by analyzing different laboratory prepared mixtures of the FP and CL. The three methods were validated as per ICH guidelines; accuracy, precision and repeatability are found to be within the acceptable limits.

  1. 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.

  2. Nonlinear fluorescence quenching of newly synthesized coumarin derivative by aniline in binary mixtures.

    PubMed

    Hanagodimath, S M; Evale, Basavaraj G; Manohara, S R

    2009-11-01

    The fluorescence quenching of newly synthesized coumarin (chromen-2-one) derivative, 4-(5-methyl-3-phenyl-benzofuran-2-yl)-6-chloro-chromen-2-one (MPBClC) by aniline in different binary solvent mixtures of benzene and acetonitrile have been reported by steady state fluorescence measurements. All the measurements were carried out at room temperature (296K). A positive curvature from linearity was observed in the Stern-Volmer (S-V) plot in all the solvent mixtures. Various rate parameters for the fluorescence quenching have been determined by sphere of action static quenching model and finite sink approximation model. The results show that the positive curvature in the S-V plot is due to both static and dynamic quenching processes. Further, with the use of finite sink approximation model, it is concluded that these bimolecular reactions are diffusion-limited. PMID:19766529

  3. Spectrophotometric methods for simultaneous determination of betamethasone valerate and fusidic acid in their binary mixture

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam Mahmoud; Salem, Hesham; Abdelkawy, Mohammad; Samir, Ahmed

    2015-04-01

    Five spectrophotometric methods were successfully developed and validated for the determination of betamethasone valerate and fusidic acid in their binary mixture. Those methods are isoabsorptive point method combined with the first derivative (ISO Point - D1) and the recently developed and well established methods namely ratio difference (RD) and constant center coupled with spectrum subtraction (CC) methods, in addition to derivative ratio (1DD) and mean centering of ratio spectra (MCR). New enrichment technique called spectrum addition technique was used instead of traditional spiking technique. The proposed spectrophotometric procedures do not require any separation steps. Accuracy, precision and linearity ranges of the proposed methods were determined and the specificity was assessed by analyzing synthetic mixtures of both drugs. They were applied to their pharmaceutical formulation and the results obtained were statistically compared to that of official methods. The statistical comparison showed that there is no significant difference between the proposed methods and the official ones regarding both accuracy and precision.

  4. Simultaneous determination of binary mixture of amlodipine besylate and atenolol based on dual wavelengths

    NASA Astrophysics Data System (ADS)

    Lamie, Nesrine T.

    2015-10-01

    Four, accurate, precise, and sensitive spectrophotometric methods are developed for simultaneous determination of a binary mixture of amlodipine besylate (AM) and atenolol (AT). AM is determined at its λmax 360 nm (0D), while atenolol can be determined by four different methods. Method (A) is absorption factor (AF). Method (B) is the new ratio difference method (RD) which measures the difference in amplitudes between 210 and 226 nm. Method (C) is novel constant center spectrophotometric method (CC). Method (D) is mean centering of the ratio spectra (MCR) at 284 nm. The methods are tested by analyzing synthetic mixtures of the cited drugs and they are applied to their commercial pharmaceutical preparation. The validity of results is assessed by applying standard addition technique. The results obtained are found to agree statistically with those obtained by official methods, showing no significant difference with respect to accuracy and precision.

  5. Determination of binary pesticide mixtures by an acetylcholinesterase-choline oxidase biosensor.

    PubMed

    Kok, Fatma N; Hasirci, Vasif

    2004-02-15

    In this study, acetylcholinesterase (AChE) and choline oxidase (ChO) were co-immobilized on poly(2-hydroxyethyl methacrylate) (pHEMA) membranes to construct a biosensor for the detection of anti-cholinesterase compounds. pHEMA membranes were prepared with the addition of SnCl(4) to achieve the desired porosity. Immobilization of the enzymes was done by surface attachment via epichlorohydrin (Epi) and Cibacron Blue F3G-A (CB) activation. Enzyme immobilized membrane was used in the detection of anti-cholinesterase activity of aldicarb (AS), carbofuran (CF) and carbaryl (CL), as well as two mixtures, (AS+CF) and (AS+CL). The total anti-cholinesterase activity of binary pesticide mixtures was found to be lower than the sum of the individual inhibition values. PMID:14709383

  6. Liquid-crystal phase diagrams of binary mixtures of hard spherocylinders.

    PubMed

    Cinacchi, Giorgio; Mederos, Luis; Velasco, Enrique

    2004-08-22

    We have built the liquid crystal phase diagram of several binary mixtures of freely rotating hard spherocylinders employing a second-order virial density functional theory with Parsons scaling, suitably generalized to deal with mixtures and smectic phases. The components have the same diameter and aspect ratio of moderate value, typical of many mesogens. Attention has been paid to smectic-smectic demixing and the types of arrangement that rods can adopt in layered phases. Results are shown to depend on the aspect ratio of the individual components and on the ratio of their lengths. Smectic phases are seen not to easily mix together at sufficiently high pressures. Layered phases where the longer rods are the majority component have a smectic-A structure. In the opposite case, a smectic-A(2) phase is obtained where the shorter particles populate the layers and the longer ones prefer to stay parallel to the latter in the interlayer region. PMID:15303954

  7. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

    SciTech Connect

    Martínez-Ruiz, F. J.; Blas, F. J.; Moreno-Ventas Bravo, A. I.

    2015-09-14

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ{sub 11} = σ{sub 22}, with the same dispersive energy between like species, ϵ{sub 11} = ϵ{sub 22}, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janecek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances r{sub c} and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-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 that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance r{sub c} is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related

  8. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture

    NASA Astrophysics Data System (ADS)

    Martínez-Ruiz, F. J.; Moreno-Ventas Bravo, A. I.; Blas, F. J.

    2015-09-01

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ11 = σ22, with the same dispersive energy between like species, ɛ11 = ɛ22, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janec̆ek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances rc and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-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 that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance rc is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related with a desorption of the molecules

  9. Liquid-liquid interfacial properties of a symmetrical Lennard-Jones binary mixture.

    PubMed

    Martínez-Ruiz, F J; Moreno-Ventas Bravo, A I; Blas, F J

    2015-09-14

    We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ11 = σ22, with the same dispersive energy between like species, ϵ11 = ϵ22, but different dispersive energies between unlike species low enough to induce phase separation. We use the extensions of the improved version of the inhomogeneous long-range corrections of Janec̆ek [J. Phys. Chem. B 110, 6264 (2006)], presented recently by MacDowell and Blas [J. Chem. Phys. 131, 074705 (2009)] and Martínez-Ruiz et al. [J. Chem. Phys. 141, 184701 (2014)], to deal with the interaction energy and microscopic components of the pressure tensor. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of the symmetrical mixture with different cut-off distances rc and in combination with the inhomogeneous long-range corrections. The pressure tensor is obtained using the mechanical (virial) and thermodynamic route. The liquid-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 that exhibit liquid-liquid immiscibility. In addition to the pressure tensor and the surface tension, we also obtain density profiles and coexistence densities and compositions as functions of pressure, at a given temperature. According to our results, the main effect of increasing the cut-off distance rc is to sharpen the liquid-liquid interface and to increase the width of the biphasic coexistence region. Particularly interesting is the presence of a relative minimum in the total density profiles of the symmetrical mixture. This minimum is related with a desorption of the molecules

  10. Fluorescent probe partitioning in GUVs of binary phospholipid mixtures: implications for interpreting phase behavior.

    PubMed

    Juhasz, Janos; Davis, James H; Sharom, Frances J

    2012-01-01

    The phase behavior of membrane lipids is known to influence the organization and function of many integral proteins. Giant unilamellar vesicles (GUVs) provide a very useful model system in which to examine the details of lipid phase separation using fluorescence imaging. The visualization of domains in GUVs of binary and ternary lipid mixtures requires fluorescent probes with partitioning preference for one of the phases present. To avoid possible pitfalls when interpreting the phase behavior of these lipid mixtures, sufficiently thorough characterization of the fluorescent probes used in these studies is needed. It is now evident that fluorescent probes display different partitioning preferences between lipid phases, depending on the specific lipid host system. Here, we demonstrate the benefit of using a panel of fluorescent probes and confocal fluorescence microscopy to examine phase separation in GUVs of binary mixtures of 1,2-dioleoyl-sn-glycero-3-phosphocholine (DOPC)/1,2-dipalmitoyl-sn-glycero-3-phosphocholine (DPPC). Patch and fibril gel phase domains were found to co-exist with liquid disordered (l(d)) domains on the surface of GUVs composed of 40:60 mol% DOPC/DPPC, over a wide range of temperatures (14-25°C). The fluorescent lipid, 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-N-(7-nitro-2-1,3-benzoxadiazol-4-yl (NBD-DPPE), proved to be the most effective probe for visualization of fibril domains. In the presence of Lissamine(TM) rhodamine B 1,2-dihexadecanoyl-sn-glycero-3-phosphoethanolamine (Rh-DPPE) we were unable to detect fibril domains. This fluorophore also affected the partitioning behavior of other fluorescent probes. Overall, we show that the selection of different fluorescent probes as lipid phase reporters can result in very different interpretation of the phase behavior of DOPC/DPPC mixtures. PMID:21945563

  11. Stokes shift dynamics in (non-dipolar ionic liquid + dipolar solvent) binary mixtures: A semi-molecular theory

    NASA Astrophysics Data System (ADS)

    Pal, Tamisra; Biswas, Ranjit

    2014-10-01

    A semi-molecular theory for studying composition dependent Stokes shift dynamics of a dipolar solute in binary mixtures of (non-dipolar ionic liquid + common dipolar solvent) is developed here. The theory provides microscopic expressions for solvation response functions in terms of static and dynamic structure factors of the mixture components and solute-solvent static correlations. In addition, the theory provides a framework for examining the interrelationship between the time dependent solvation response in and frequency dependent dielectric relaxation of a binary mixture containing electrolyte. Subsequently, the theory has been applied to predict ionic liquid (IL) mole fraction dependent dynamic Stokes shift magnitude and solvation energy relaxation for a dipolar solute, C153, in binary mixtures of an ionic liquid, trihexyltetradecylphosphonium chloride ([P14,666][Cl]) with a common dipolar solvent, methanol (MeOH). In the absence of suitable experimental data, necessary input parameters have been obtained from approximate methods. Dynamic shifts calculated for these mixtures exhibit a linear increase with IL mole fraction for the most part of the mixture composition, stressing the importance of solute-IL dipole-ion interaction. Average solvation rates, on the other hand, show a nonlinear IL mole fraction dependence which is qualitatively similar to what has been observed for such binary mixtures with imidazolium (dipolar) ILs. These predictions should be re-examined in suitable experiments.

  12. Spectroscopic and DFT study of solvent effects on the electronic absorption spectra of sulfamethoxazole in neat and binary solvent mixtures

    NASA Astrophysics Data System (ADS)

    Almandoz, M. C.; Sancho, M. I.; Blanco, S. E.

    2014-01-01

    The solvatochromic behavior of sulfamethoxazole (SMX) was investigated using UV-vis spectroscopy and DFT methods in neat and binary solvent mixtures. The spectral shifts of this solute were correlated with the Kamlet and Taft parameters (α, β and π*). Multiple lineal regression analysis indicates that both specific hydrogen-bond interaction and non specific dipolar interaction play an important role in the position of the absorption maxima in neat solvents. The simulated absorption spectra using TD-DFT methods were in good agreement with the experimental ones. Binary mixtures consist of cyclohexane (Cy)-ethanol (EtOH), acetonitrile (ACN)-dimethylsulfoxide (DMSO), ACN-dimethylformamide (DMF), and aqueous mixtures containing as co-solvents DMSO, ACN, EtOH and MeOH. Index of preferential solvation was calculated as a function of solvent composition and non-ideal characteristics are observed in all binary mixtures. In ACN-DMSO and ACN-DMF mixtures, the results show that the solvents with higher polarity and hydrogen bond donor ability interact preferentially with the solute. In binary mixtures containing water, the SMX molecules are solvated by the organic co-solvent (DMSO or EtOH) over the whole composition range. Synergistic effect is observed in the case of ACN-H2O and MeOH-H2O, indicating that at certain concentrations solvents interact to form association complexes, which should be more polar than the individual solvents of the mixture.

  13. Optical studies of a binary liquid crystal mixture exhibiting induced smectic A phase

    NASA Astrophysics Data System (ADS)

    Thingujam, Kiranmala; Bhattacharjee, Ayon; Choudhury, Basana; Sarkar, S. D.

    2016-08-01

    A binary liquid crystalline mixture of a monotropic polar compound 4-cyanophenyl 4'- n-pentyl benzoate (CPPB) and an enantiotropic non-polar compound 4- n-hexyl phenyl 4- n'-pentyloxy benzoate (ME5O.6) shows the presence of an induced smectic A phase in the region 0.1 ≤ x CPPB ≤ 0.82, where x CPPB is the mole fraction of CPPB. The results of texture study, density study and refractive index measurements of the eutectic mixture along with those of the pure samples are reported in this paper. The density values of the eutectic mixture are found to be much higher than that of the pure samples. The determination of order parameters of the pure samples and eutectic mixture has been carried out. In order to determine the order parameters of the samples, we have used different methods, Vuks', Neugebauer's, modified Vuks' and direct extrapolation method. The results of order parameters obtained from the different approaches are compared and analysed in detail.

  14. An experimental study of adsorption interference in binary mixtures flowing through activated carbon

    NASA Technical Reports Server (NTRS)

    Madey, R.; Photinos, P. J.

    1983-01-01

    The isothermal transmission through activated carbon adsorber beds at 25 C of acetaldehyde-propane and acetylene-ethane mixtures in a helium carrier gas was measured. The inlet concentration of each component was in the range between 10 ppm and 500 ppm. The constant inlet volumetric flow rate was controlled at 200 cc (STP)/min in the acetaldehyde-propane experiments and at 50 cc (STP)/min in the acetaldehyde-ethane experiments. Comparison of experimental results with the corresponding single-component experiments under similar conditions reveals interference phenomena between the components of the mixtures as evidenced by changes in both the adsorption capacity and the dispersion number. Propane was found to displace acetaldehyde from the adsorbed state. The outlet concentration profiles of propane in the binary mixtures tend to become more diffuse than the corresponding concentration profiles of the one-component experiments. Similar features were observed with mixtures of acetylene and ethane; however, the displacement of acetylene by ethane is less pronounced.

  15. Dual-Mode Measurement and Theoretical Analysis of Evaporation Kinetics of Binary Mixtures

    NASA Astrophysics Data System (ADS)

    Song, Hanyu; He, Chi-Ruei; Basdeo, Carl; Li, Ji-Qin; Ye, Dezhuang; Kalonia, Devendra; Li, Si-Yu; Fan, Tai-Hsi

    Theoretical and experimental investigations are presented for the precision measurement of evaporation kinetics of binary mixtures using a quartz crystal resonator. A thin layer of light alcohol mixture including a volatile (methanol) and a much less volatile (1-butanol) components is deployed on top of the resonator. The normal or acoustic mode is to detect the moving liquid-vapor interface due to evaporation with a great spatial precision on the order of microns, and simultaneously the shear mode is used for in-situ detection of point viscosity or concentration of the mixture near the resonator. A one-dimensional theoretical model is developed to describe the underlying mass transfer and interfacial transport phenomena. Along with the modeling results, the transient evaporation kinetics, moving interface, and the stratification of viscosity of the liquid mixture during evaporation are simultaneously measured by the impedance response of the shear and longitudinal waves emitted from the resonator. The system can be used to characterize complicated evaporation kinetics involving multi-component fuels. American Chemical Society Petroleum Research Fund, NSF CMMI-0952646.

  16. 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

  17. Discriminative Stimulus Effects of Binary Drug Mixtures: Studies with Cocaine, MDPV, and Caffeine.

    PubMed

    Collins, Gregory T; Abbott, Megan; Galindo, Kayla; Rush, Elise L; Rice, Kenner C; France, Charles P

    2016-10-01

    Illicit drug preparations often include more than one pharmacologically active compound. For example, cocaine and synthetic cathinones [e.g., 3,4-methylenedioxypyrovalerone (MDPV)] are often mixed with caffeine before sale. Caffeine is likely added to these preparations because it is inexpensive and legal; however, caffeine might also mimic or enhance some of the effects of cocaine or MDPV. In these studies, male Sprague-Dawley rats were trained to discriminate 10 mg/kg cocaine from saline, and the discriminative stimulus effects of cocaine, caffeine, and MDPV were evaluated alone and as binary mixtures (cocaine and caffeine, MDPV and caffeine, and cocaine and MDPV) at fixed-dose ratios of 3:1, 1:1, and 1:3 relative to the dose of each drug that produced 50% cocaine-appropriate responding. Dose-addition analyses were used to determine the nature of the drug-drug interactions for each mixture (e.g., additive, supra-additive, or subadditive). Although additive interactions were observed for most mixtures, supra-additive interactions were observed at the 50% effect level for the 1:1 mixture of cocaine and caffeine and at the 80% effect level for all three mixtures of cocaine and caffeine, as well as for the 3:1 and 1:3 mixtures of cocaine and MDPV. These results demonstrate that with respect to cocaine-like discriminative stimulus effects, caffeine can function as a substitute in drug preparations containing either cocaine or MDPV, with enhancements of cocaine-like effects possible under certain conditions. Further research is needed to determine whether similar interactions exist for other abuse-related or toxic effects of drug preparations, including cocaine, synthetic cathinones, and caffeine. PMID:27493274

  18. A law of mixtures for transport properties in binary particulate composites

    SciTech Connect

    Duncan, K.L.; Lodenquai, J.F.; Wagh, A.S.; Goretta, K.C.

    1998-09-01

    A connected-grain model was developed earlier to explain mechanical and thermal properties of porous ceramics and sedimentary rocks. We have now generalized this model for binary particulate composites, based on simulation of a connected-grain structure of individual components of the composites by randomly selecting individual grains and shrinking them. Repetition of this procedure results in a structure of a binary particulate composite that contains channels of individual components, through which transport occurs. We developed a generalized law of mixtures in which transport properties are expressed as scaling relationships that depend on the shrinking parameter expressed as an exponent. This parameter provides the skewness of the distribution of the grains. The model is compared with various transport properties of binary composites reported in the literature. In addition, the model is tested on YBa{sub 2}Cu{sub 3}O{sub x} superconductors and Ag composites that were fabricated in our laboratory and tested for electrical conductivity and elastic modulus. This test demonstrates how the model predicts two entirely different transport properties through their common microstructure and grain-size distribution. {copyright} {ital 1998 American Institute of Physics.}

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

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

  20. Unusual microscopic dynamics in melts of star-like polymer grafted nanoparticles and their binary mixtures

    NASA Astrophysics Data System (ADS)

    Basu, Jaydeep; Srivastava, S.; C, Sivasurender; Kandar, A.; C, Sarika; Narayanan, S.; Sandy, A.

    2010-03-01

    Star polymers have attracted wide attention due to their fascinating structural, dynamical and rheological behavior including observation of multiple glassy states in concentrated solutions [1]. We have shown recently [2] that the microscopic dynamics in melts of a novel type of star-like polymers created by grafting of linear polymer chains on nanoparticle surfaces shows an unusual dynamical arrest in the case of low number, f, of grafted chains as opposed to that predicted and observed so far for both melts and solutions of star polymers. Here we extend our studies further to include similar star polymers with large range of f and their binary mixtures. Remarkably we find that the structural relaxation times of the star polymers becomes smaller with increasing arm number upto a certain value above which the relaxation time increases with f. Further, in binary mixtures of star polymers of two different sizes the relaxation time decreases dramatically with very low added small star fraction but shows dynamical arrest at significantly higher fraction of smaller stars. Reference: 1. C. Mayer et al Nature Materials 7, 780 (2008); 2. A. K. Kandar et al, J Chem Phys 130, 121102 (2009)

  1. Heat capacity singularity of binary liquid mixtures at the liquid-liquid critical point.

    PubMed

    Méndez-Castro, Pablo; Troncoso, Jacobo; Peleteiro, José; Romaní, Luis

    2013-10-01

    The critical anomaly of the isobaric molar heat capacity for the liquid-liquid phase transition in binary nonionic mixtures is explained through a theory based on the general assumption that their partition function can be exactly mapped into that of the Ising three-dimensional model. Under this approximation, it is found that the heat capacity singularity is directly linked to molar excess enthalpy. In order to check this prediction and complete the available data for such systems, isobaric molar heat capacity and molar excess enthalpy near the liquid-liquid critical point were experimentally determined for a large set of binary liquid mixtures. Agreement between theory and experimental results-both from literature and from present work-is good for most cases. This fact opens a way for explaining and predicting the heat capacity divergence at the liquid-liquid critical point through basically the same microscopic arguments as for molar excess enthalpy, widely used in the frame of solution thermodynamics. PMID:24229116

  2. Deterioration of Heat Transfer Performance in Condensation of Binary Vapor Mixtures

    NASA Astrophysics Data System (ADS)

    Fujii, Tetsu

    It is explained using theoretical results for laminar film condensation that the deterioration of heat transfer performance in the case of condensation of binary vapor mixtures is caused by the temperature drop in the vapor boundary layer due to the increase of the concentration of the volatile component at the vapor-liquid interface. As for free convection condensation the agreement between theory and experiment is satisfactory in the case where the condensate film is smooth, while the heat transfer coefficient becomes larger than the theoretical result in the case where drops and/or streaks appear in the film. It is also explained using some examples of experimental results that the heat transferred from a bulk vapor to a cooling surface can be evaluated by simultaneously solving the equations with respect to the heat transfer coefficient for condensation of pure vapors, the mass transfer coefficient in the vapor phase, and the phase equilibrium in the cases where binary vapor mixtures of water, Frons, alcohols and other organic vapors condense in a vertical tube, a plate-fin condenser, a horizontal tube and a horizontal tube bundle. Then, future problems are pointed out.

  3. Mutual diffusion in the ternary mixture of water + methanol + ethanol and its binary subsystems.

    PubMed

    Parez, Stanislav; Guevara-Carrion, Gabriela; Hasse, Hans; Vrabec, Jadran

    2013-03-21

    Mutual diffusion is investigated by means of experiment and molecular simulation for liquid mixtures containing water + methanol + ethanol. The Fick diffusion coefficient is measured by Taylor dispersion as a function of composition for all three binary subsystems under ambient conditions. For the aqueous systems, these data compare well with literature values. In the case of methanol + ethanol, experimental measurements of the Fick diffusion coefficient are presented for the first time. The Maxwell-Stefan diffusion coefficient and the thermodynamic factor are predicted for the ternary mixture as well as its binary subsystems by molecular simulation in a consistent manner. The resulting Fick diffusion coefficient is compared to present measurements and that obtained from the classical simulation approach, which requires experimental vapor-liquid equilibrium or excess enthalpy data. Moreover, the self-diffusion coefficients and the shear viscosity are predicted by molecular dynamics and are favorably compared to experimental literature values. The presented ternary diffusion data should facilitate the development of aggregated predictive models for diffusion coefficients of polar and hydrogen-bonding systems. PMID:23400088

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

    PubMed

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

    2016-02-14

    The established quantum cluster equilibrium (QCE) approach is refined and applied to N-methylformamide (NMF) and its aqueous solution. The QCE method is split into two iterative cycles: one which converges to the liquid phase solution of the QCE equations and another which yields the gas phase. By comparing Gibbs energies, the thermodynamically stable phase at a given temperature and pressure is then chosen. The new methodology avoids metastable solutions and allows a different treatment of the mean-field interactions within the gas and liquid phases. These changes are of crucial importance for the treatment of binary mixtures. For the first time in a QCE study, the cis-trans-isomerism of a species (NMF) is explicitly considered. Cluster geometries and frequencies are calculated using density functional theory (DFT) and complementary coupled cluster single point energies are used to benchmark the DFT results. Independent of the selected quantum-chemical method, a large set of clusters is required for an accurate thermodynamic description of the binary mixture. The liquid phase of neat NMF is found to be dominated by the cyclic trans-NMF pentamer, which can be interpreted as a linear trimer that is stabilized by explicit solvation of two further NMF molecules. This cluster reflects the known hydrogen bond network preferences of neat NMF. PMID:26874486

  5. PHARMACOKINETIC AND PHARMACODYNAMIC INTERACTION FOR A BINARY MIXTURE OF CHLORPYRIFOS AND DIAZINON IN THE RAT

    SciTech Connect

    Timchalk, Chuck; Poet, Torka S.; Hinman, Melissa N.; Busby, Andrea L.; Kousba, Ahmed A.

    2005-05-15

    Chlorpyrifos (CPF) and diazinon (DZN) are two commonly used organophosphorus (OP) insecticides and potential exists for concurrent exposures. The primary neurotoxic effects from OP pesticide exposures result from the inhibition of acetylcholinesterase (AChE) by their oxon metabolites. The pharmacokinetic and pharmacodynamic impact of acute binary exposures to CPF and DZN in rats were evaluated in this study. Rats were orally administered CPF, DZN or a CPF/DZN mixture (0, 15, 30 or 60 mg/kg) and blood (plasma and RBC), and brain were collected at 0, 3, 6, 12 and 24 h post-dosing, urine was also collected at 24 h. Chlorpyrifos, DZN and their respective metabolites 3,5,6-trichloro-2-pyridinol (TCP) and 2-isopropyl-4-methyl-6-hydroxypyrimidine (IMHP) were quantified in blood and/or urine and cholinesterase (ChE) inhibition was measured in brain, RBCs and plasma. Co-exposure to CPF/DZN at 15/15 mg/kg, did not appreciably alter the pharmacokinetics of CPF, DZN or their metabolites in blood; whereas, a 60/60 mg/kg dose resulted in a transient increase in Cmax, AUC, and decreased clearance of both compounds, likely due to competition between CPF and DZN for CYP450 metabolism. At lower doses, most likely to be encountered in occupational or environmental exposures, the pharmacokinetics were linear. A dose-dependent inhibition of ChE was noted in tissues for both the single and co-exposures. The overall potency for ChE inhibition was greater for CPF than DZN and the binary mixture response appeared to be strongly influenced by CPF. A comparison of the ChE binary response at the low dose (15 mg/kg), where there were no apparent pharmacokinetic interactions, suggested that the overall ChE response was additive. These are the first reported experiments we are aware of that characterize both the pharmacokinetic and pharmacodynamic interactions between CPF and DZN in the rat, and will be used to further develop a binary physiologically based pharmacokinetic and pharmacodynamic

  6. Toxicity of binary mixtures of metals and pyrethroid insecticides to Daphnia magna Straus. Implications for multi-substance risks assessment.

    PubMed

    Barata, Carlos; Baird, D J; Nogueira, A J A; Soares, A M V M; Riva, M C

    2006-06-10

    Two different concepts, termed concentration addition (CA) and independent action (IA), describe general relationships between the effects of single substances and their corresponding mixtures allowing calculation of an expected mixture toxicity on the basis of known toxicities of the mixture components. Both concepts are limited to cases in which all substances in a mixture influence the same experimental endpoint, and are usually tested against a "fixed ratio design" where the mixture ratio is kept constant throughout the studies and the overall concentration of the mixture is systematically varied. With this design, interaction among toxic components across different mixture ratios and endpoints (i.e. lethal versus sublethal) is not assessed. In this study lethal and sublethal (feeding) responses of Daphnia magna individuals to single and binary combinations of similarly and dissimilarly acting chemicals including the metals (cadmium, copper) and the pyrethroid insecticides (lambda-cyhalothrin and deltamethrin) were assayed using a composite experimental design to test for interactions among toxic components across mixture effect levels, mixture ratios, lethal and sublethal toxic effects. To account for inter-experiment response variability, in each binary mixture toxicity assay the toxicity of the individual mixture constituents was also assessed. Model adequacy was then evaluated comparing the slopes and elevations of predicted versus observed mixture toxicity curves with those estimated for the individual components. Model predictive abilities changed across endpoints. The IA concept was able to predict accurately mixture toxicities of dissimilarly acting chemicals for lethal responses, whereas the CA concept did so in three out of four pairings for feeding response, irrespective of the chemical mode of action. Interaction effects across mixture effect levels, evidenced by crossing slopes, were only observed for the binary mixture Cd and Cu for lethal effects

  7. Characterization of the ordered phase formed by sphingomyelin analogues and cholesterol binary mixtures

    PubMed Central

    Kinoshita, Masanao; Goretta, Sarah; Tsuchikawa, Hiroshi; Matsumori, Nobuaki; Murata, Michio

    2013-01-01

    The influences of structural alterations of sphingomyelin (SM) on its interactions with cholesterol (chol) and on ordered phase formation were examined by density measurements and surface pressure vs. molecular area isotherm measurements. In addition, we quantitatively characterized the ordered phase formed in each SM and chol binary mixture on the basis of the molecular compressional modulus of SM ( Cmol−1). Density measurements demonstrated that the ordered phase formation in threo-SM (tSM)/chol and dihydrosphingomyelin (DHSM)/chol binary bilayers shows similar chol concentration-dependency to that of natural erythro-SM (eSM)/chol bilayers; the ordered phase formation was completed in the presence of 25 mol% chol. In contrast, SM bearing a triple bond in the place of a double bond (tripleSM) required a greater concentration of chol to completely transform the bilayer into the ordered phase (at 40 mol% chol). Surface pressure vs. molecular area isotherms showed that the DHSM molecule ( Cmol−1 = 290 mN/m) is more rigid than eSM ( Cmol−1 = 240 mN/m) above 30 mol% chol (in the ordered phase), although these values are similar (140–150 mN/m) in the absence of chol (liquid condensed phase). Most likely, the DHSM/chol mixture forms a more ordered membrane than the eSM/chol mixture does. Moreover, in the absence of chol, the rigidity of the tripleSM molecule ( Cmol−1 = 250 mN/m) is significantly higher as compared with that of the eSM molecule ( Cmol−1 = 150 mN/m), which is probably due to the presence of a triple bond. PMID:27493539

  8. Solubilization of pentanol by cationic surfactants and binary mixtures of cationic surfactants

    SciTech Connect

    Morgan, M.E.

    1993-12-31

    The research reported here has included studies of the solubilization of pentanol in hexadecylpyridinium chloride (CPC), trimethyletetradecylammonium chloride (C{sub 14}Cl), benzyldimethyltetradecylammonium chloride (C{sub 14}BzCl), benzyldimethylhexadecylpyridinium chloride (C{sub 16}BzCl), hexadecyltrimethylammonium bromide (CTAB), and binary mixtures of CPC + C{sub 16}BzCl and C{sub 14}Cl + C{sub 14}BzCl. Rather than using calorimetric methods, this project will employ headspace chromatography to measure solubilization of pentanol over a wide range of solute concentrations. While not yielding as much thermodynamic data as calorimetry, headspace chromatography is a more direct measure of the extent of solubilization. Using headspace chromatography, is a more direct measure of the extent of solubilization. Using headspace chromatography, this study will seek to determine whether strongly synergistic mixture ratios exist in the case of binary cationic surfactant systems. There are two equilibria in the pentanol-water-surfactant system: (1) The pentanol solubilized in micelles is in equilibrium with the monomeric pentanol in solution, and (2) the monomeric pentanol is in equilibrium with the pentanol in the vapor above the solution. To establish the link between the two equilibria, a sample of the vapor above pure liquid pentanol must be collected, in order to find the activity of pentanol in solution. Also, a calibration curve for various concentrations of pentanol in solution. From this type of data it is possible to infer both the concentration of pentanol solubilized in micelles and the concentrations of pentanol in the ``bulk`` solution outside the micelles. The method is equally applicable to systems containing a single surfactant as well as mixtures of surfactants.

  9. Density and Viscosity of Binary Mixtures of Thiocyanate Ionic Liquids + Water as a Function of Temperature.

    PubMed

    Domańska, U; Królikowska, M

    2012-09-01

    Densities and viscosities have been determined for binary mixtures of the ionic liquids (ILs) 1-butyl-3-methylimidazolium thiocyanate [BMIM][SCN], or 1-butyl-4-methylpyridinium thiocyanate [BMPy][SCN], or 1-butyl-1-methylpyrrolidinium thiocyanate [BMPYR][SCN], or 1-butyl-1-methylpiperidinium thiocyanate [BMPIP][SCN] with water over wide range of temperatures (298.15-348.15) K and ambient pressure. The thermal properties of [BMPy][SCN], i.e. glass transition temperature and the heat capacity at glass transition, have been measured using a differential scanning microcalorimetry, DSC. The decomposition of [BMPy][SCN] was detected. The density and viscosity correlations for these systems have been made using an empirical second-order polynomial and by the Vogel-Fulcher-Tammann equation, respectively. The concentration dependences have been described by polynomials. The excess molar volumes and deviations in viscosity have been calculated from the experimental values and were correlated by Redlich-Kister polynomial expansions. The variations of these parameters, with compositions of the mixtures and temperature, have been discussed in terms of molecular interactions. A qualitative analysis of the trend of properties with composition and temperature was performed. Further, the excess partial molar volumes, [Formula: see text] and [Formula: see text], were calculated and discussed. The isobaric expansivities (coefficient of thermal expansion), α, and the excess isobaric expansivities, α(E), were determined for four ILs and their mixtures with water. The results indicate that the interactions of thiocyanate ILs with water is not as strong as with alcohols, which is shown by the positive/slightly negative excess molar volumes in these binary systems. ELECTRONIC SUPPLEMENTARY MATERIAL: The online version of this article (doi:10.1007/s10953-012-9875-7) contains supplementary material, which is available to authorized users. PMID:23002317

  10. 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

  11. CH/pi interaction between benzene and hydrocarbons having six carbon atoms in their binary liquid mixtures.

    PubMed

    Kasahara, Yasutoshi; Suzuki, Yuji; Kabasawa, Aino; Minami, Hideyuki; Matsuzawa, Hideyo; Iwahashi, Makio

    2010-01-01

    Molecular interactions between benzene and hydrocarbons having six carbon atoms, such as hexane, cyclohexane and 1-hexene in their binary liquid mixtures were studied through the measurements of density, viscosity, self-diffusion coefficient, (13)C NMR spin-lattice relaxation time and (1)H NMR chemical shift. CH/pi attraction between hexane and benzene in their binary mixture was observed in a relatively benzene rich region, whereas a special attractive interaction was not observed between cyclohexane and benzene. On the other hand, 1-hexene and benzene in their binary mixtures were characteristic in their self-diffusion coefficient behaviors: 1-hexene more strongly attract benzene not only by the CH/pi attraction but also probably by the p/p interaction between the double bond in 1-hexene and the p-electron in benzene ring. PMID:20032596

  12. Multiscale Modeling of the Effect of Pressure on the Interfacial Tension and Other Cohesion Parameters in Binary Mixtures.

    PubMed

    Mayoral, E; Nahmad-Achar, E

    2016-03-10

    We study and predict the interfacial tension, solubility parameters, and Flory-Huggins parameters of binary mixtures as functions of pressure and temperature, using multiscale numerical simulation. A mesoscopic approach is proposed for simulating the pressure dependence of the interfacial tension for binary mixtures, at different temperatures, using classical dissipative particle dynamics (DPD). The thermodynamic properties of real systems are reproduced via the parametrization of the repulsive interaction parameters as functions of pressure and temperature via molecular dynamics simulations. Using this methodology, we calculate and analyze the cohesive energy density and the solubility parameters of different species obtaining excellent agreement with reported experimental behavior. The pressure- and temperature-dependent Flory-Huggins and repulsive DPD interaction parameters for binary mixtures are also obtained and validated against experimental data. This multiscale methodology offers the benefit of being applicable for any species and under difficult or nonfeasible experimental conditions, at a relatively low computational cost. PMID:26840645

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

    NASA Astrophysics Data System (ADS)

    Larcher, Michele; Jenkins, James T.

    2013-04-01

    Despite the importance of particle segregation in dense, collisional particle flows, the theoretical framework for its description is still incomplete. Phenomenological theories exist, such as those described by Gray and Ancey [1] that produce plausible predictions of species' concentrations and mixture velocity for appropriate choices of parameters. However, our goal here is to make such predictions in the context of a more fundamental theory that is based on the inter-particle interactions and that incorporates a measure of the energy of the particle velocity fluctuations. We phrase and solve a problem of particle segregation in a dry flow of two sizes of spheres down an inclined, rigid, bumpy bed in the absence of sidewalls. The flow is assumed to be steady and fully-developed, collisions between particles are dissipative, and the sizes and masses of the particles are not too different. For the mixture, we employ the kinetic theory for identical, inelastic spheres developed by Garzo & Dufty [2], modifying their expression for energy dissipation to take in to account the formation of particle clusters [3]. We incorporate friction in the particle interactions through the introduction of an effective coefficient restitution in the translational energy equation [4]; this accounts for energy lost to the fluctuations in translation velocity due both to their conversion to rotational velocity fluctuations and their dissipation due to sliding friction. We employ a theory for segregation in a binary mixture of spheres by Arnarson and Jenkins [5] that is appropriate for particles with relatively small differences in size and mass. We compare the predictions of species' concentration, mixture concentration and mixture velocity to the results of numerical simulations carried out by Tripathi and Khakhar [6]. We employ the particle sizes, masses and interaction parameters of their simulation in the theory; however, because the measures of size and mass difference employed in

  14. Effect of HPLC binary mobile phase composition on the analysis of carbonyls.

    PubMed

    Ho, Duy Xuan; Kim, Ki-Hyun

    2011-09-01

    The relative performance of the binary mobile phase in the high-performance liquid chromatography analysis of carbonyl compounds (CCs) was tested using the liquid-phase standards containing 15 aldehyde/ketone-DNPH mixture. The Hichrome column was employed for the analysis of CCs at a flow rate of 1.5 mL min( - 1). The binary mobile phases prepared using both acetonitrile/water (AW) and a possible alternative of methanol:water (MW) mixture were examined by their calibration results. The data derived from these two binary phases were then evaluated in terms of three key variables (i.e., resolution, relative sensitivity, and retention time). The relative water content (or the water to organic solvent ratio (W/A) or (W/M)) of the binary phase was found as the key variable for the performance. The results indicate that the optimal resolution of AW combination was attained consistently for most composition, while MW generally suffered from overpressure problem. The changes of water content in the AW mixture led to the changes of all three variables in the quantitative analysis of CCs. The obtained results confirm that the AW mixture should be the optimal elutant for the CC analysis, as other simple binary compositions like MW are limited in many respects. PMID:21107904

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

    NASA Astrophysics Data System (ADS)

    Kagawa, Noboru; Uematsu, Masahiko; Watanabe, Koichi

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

  16. Prediction and assessment of ecogenotoxicity of antineoplastic drugs in binary mixtures.

    PubMed

    Kundi, Michael; Parrella, Alfredo; Lavorgna, Margherita; Criscuolo, Emma; Russo, Chiara; Isidori, Marina

    2016-08-01

    The combined genotoxic effects of four anticancer drugs (5-fluorouracil [5-FU], cisplatin [CDDP], etoposide [ET], and imatinib mesylate [IM]) were studied testing their binary mixtures in two crustaceans that are part of the freshwater food chain, namely Daphnia magna and Ceriodaphnia dubia. Genotoxicity was assessed using the in vivo comet assay. Assessment was based on two distinct effect sizes determined from dose-response experiments. Doses for single and combined exposures expected to result in these effect sizes were computed based on Bliss independence as reference model. Statistical comparison by analysis of variance of single and combined toxicities allowed accepting or rejecting the independency hypothesis. The results obtained for D. magna showed independent action for all mixtures except for IM+5-FU that showed an antagonistic interaction. In C. dubia, most mixtures had antagonist interactions except IM+5-FU and IM+CDDP that showed Bliss independence. Despite the antagonistic interactions, our results demonstrated that combinations of anticancer drugs could be of environmental concern because effects occur at very low concentrations that are in the range of concentrations encountered in aquatic systems. PMID:26139396

  17. Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride.

    PubMed

    Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y Mauricio; Vrabec, Jadran

    2016-03-28

    Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impact on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values. PMID:27036455

  18. 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

  19. Tracking three-phase coexistences in binary mixtures of hard plates and spheres

    NASA Astrophysics Data System (ADS)

    Aliabadi, Roohollah; Moradi, Mahmood; Varga, Szabolcs

    2016-02-01

    The stability of demixing phase transition in binary mixtures of hard plates (with thickness L and diameter D) and hard spheres (with diameter σ) is studied by means of Parsons-Lee theory. The isotropic-isotropic demixing, which is found in mixtures of large spheres and small plates, is very likely to be pre-empted by crystallization. In contrast, the nematic-nematic demixing, which is obtained in mixtures of large plates and small spheres, can be stabilized at low diameter ratios (σ/D) and aspect ratios (L/D). At intermediate values of σ/D, where the sizes of the components are similar, neither the isotropic-isotropic nor the nematic-nematic demixing can be stabilized, but a very strong fractionation takes place between a plate rich nematic and a sphere rich isotropic phases. Our results show that the excluded volume interactions are capable alone to explain the experimental observation of the nematic-nematic demixing, but they fail in the description of isotropic-isotropic one [M. Chen et al., Soft Matter 11, 5775 (2015)].

  20. 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

  1. Solid-liquid phase equilibrium for binary Lennard-Jones mixtures

    NASA Astrophysics Data System (ADS)

    Hitchcock, Monica R.; Hall, Carol K.

    1999-06-01

    Solid-liquid phase diagrams are calculated for binary mixtures of Lennard-Jones spheres using Monte Carlo simulation and the Gibbs-Duhem integration technique of Kofke. We calculate solid-liquid phase diagrams for the model Lennard-Jones mixtures: argon-methane, krypton-methane, and argon-krypton, and compare our simulation results with experimental data and with Cottin and Monson's recent cell theory predictions. The Lennard-Jones model simulation results and the cell theory predictions show qualitative agreement with the experimental phase diagrams. One of the mixtures, argon-krypton, has a different phase diagram than its hard-sphere counterpart, suggesting that attractive interactions are an important consideration in determining solid-liquid phase behavior. We then systematically explore Lennard-Jones parameter space to investigate how solid-liquid phase diagrams change as a function of the Lennard-Jones diameter ratio, σ11/σ22, and well-depth ratio, ɛ11/ɛ22. This culminates in an estimate of the boundaries separating the regions of solid solution, azeotrope, and eutectic solid-liquid phase behavior in the space spanned by σ11/σ22 and ɛ11/ɛ22 for the case σ11/σ22<0.85.

  2. 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.

  3. 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.

  4. Catalytic oxidation of dichloromethane, chloroform, and their binary mixtures over a platinum alumina catalyst

    SciTech Connect

    Papenmeier, D.M.; Rossin, J.A. . Gunpowder Branch)

    1994-12-01

    The complete catalytic oxidation of dichloromethane, chloroform, and their binary mixtures was examined over a 3% Pt/[kappa]-[delta] Al[sub 2]O[sub 3] catalyst at temperature between 300 and 400 C using a fixed bed catalytic reactor. The oxidation of chloroform and dichloromethane as pure compounds was nonlinear in the concentration of chloromethane and zeroth order in the concentration of oxygen. HCl, formed during the oxidation of each chloromethane, decreased the reaction rate. Kinetic rate expressions were developed to described the oxidation of dichloromethane and chloroform as pure compounds. These expressions were derived by assuming that the reaction occurred via adsorption and decomposition of the chloromethane into an oxygen covered platinum surface, with the reaction being inhibited by the presence of HCl. From the results of the pure compound studies, reaction rate expressions were developed to describe the oxidation of dichloromethane/chloroform mixtures. The resulting reaction rate expressions accurately predicted the catalyst's performance during the oxidation of dichloromethane/chloroform mixtures over a wide range of conditions.

  5. Mutual diffusion of binary liquid mixtures containing methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride

    NASA Astrophysics Data System (ADS)

    Guevara-Carrion, Gabriela; Janzen, Tatjana; Muñoz-Muñoz, Y. Mauricio; Vrabec, Jadran

    2016-03-01

    Mutual diffusion coefficients of all 20 binary liquid mixtures that can be formed out of methanol, ethanol, acetone, benzene, cyclohexane, toluene, and carbon tetrachloride without a miscibility gap are studied at ambient conditions of temperature and pressure in the entire composition range. The considered mixtures show a varying mixing behavior from almost ideal to strongly non-ideal. Predictive molecular dynamics simulations employing the Green-Kubo formalism are carried out. Radial distribution functions are analyzed to gain an understanding of the liquid structure influencing the diffusion processes. It is shown that cluster formation in mixtures containing one alcoholic component has a significant impact on the diffusion process. The estimation of the thermodynamic factor from experimental vapor-liquid equilibrium data is investigated, considering three excess Gibbs energy models, i.e., Wilson, NRTL, and UNIQUAC. It is found that the Wilson model yields the thermodynamic factor that best suits the simulation results for the prediction of the Fick diffusion coefficient. Four semi-empirical methods for the prediction of the self-diffusion coefficients and nine predictive equations for the Fick diffusion coefficient are assessed and it is found that methods based on local composition models are more reliable. Finally, the shear viscosity and thermal conductivity are predicted and in most cases favorably compared with experimental literature values.

  6. The use of zeta potential as a tool to study phase transitions in binary phosphatidylcholines mixtures.

    PubMed

    Sierra, M B; Pedroni, V I; Buffo, F E; Disalvo, E A; Morini, M A

    2016-06-01

    Temperature dependence of the zeta potential (ZP) is proposed as a tool to analyze the thermotropic behavior of unilamellar liposomes prepared from binary mixtures of phosphatidylcholines in the absence or presence of ions in aqueous suspensions. Since the lipid phase transition influences the surface potential of the liposome reflecting a sharp change in the ZP during the transition, it is proposed as a screening method for transition temperatures in complex systems, given its high sensitivity and small amount of sample required, that is, 70% less than that required in the use of conventional calorimeters. The sensitivity is also reflected in the pre-transition detection in the presence of ions. Plots of phase boundaries for these mixed-lipid vesicles were constructed by plotting the delimiting temperatures of both main phase transition and pre-transition vs. the lipid composition of the vesicle. Differential scanning calorimetry (DSC) studies, although subject to uncertainties in interpretation due to broad bands in lipid mixtures, allowed the validation of the temperature dependence of the ZP method for determining the phase transition and pre-transition temperatures. The system chosen was dipalmitoylphosphatidylcholine/dimyristoyl phosphatidylcholine (DMPC/DPPC), the most common combination in biological membranes. This work may be considered as a starting point for further research into more complex lipid mixtures with functional biological importance. PMID:26954086

  7. Simultaneous Detection and Estimation of Catechol, Hydroquinone, and Resorcinol in Binary and Ternary Mixtures Using Electrochemical Techniques

    PubMed Central

    Hossain, Md. Uzzal; Rahman, Md. Toufiqur; Ehsan, Md. Qamrul

    2015-01-01

    Cyclic voltammetry (CV) and differential pulse voltammetry (DPV) were performed with a glassy carbon electrode (GCE) modified with polyglutamic acid (PGA) on the three dihydroxybenzene isomers, catechol (CT), hydroquinone (HQ), and resorcinol (RS). At bare GCE, these isomers exhibited voltammograms with highly overlapped redox peaks that impeded their simultaneous detection in binary and ternary mixtures. On the contrary, at PGA modified GCE binary and ternary mixtures of the dihydroxybenzene isomers showed well-resolved redox peaks in both CV and DPV experiments. This resolving ability of PGA modified GCE proves its potential to be exploited as an electrochemical sensor for the simultaneous detection of these isomers. PMID:26770198

  8. Delineating solute-solvent interactions in binary mixtures of ionic liquids in molecular solvents and preferential solvation approach.

    PubMed

    Khupse, Nageshwar D; Kumar, Anil

    2011-02-01

    The effect of solute-solvent and solvent-solvent interactions on the preferential solvation of solvatochromic indicators in binary mixtures of ionic liquids with molecular solvents has been investigated. The binary mixtures of the pyridinium-based ionic liquids 1-butylpyridinium tetrafluoroborate ([BP][BF4]), 1-butyl-3-methylpyridinium tetrafluoroborate ([3-MBP][BF4]), and 1-butyl-4-methylpyridinium tetrafluoroborate ([4-MBP][BF4]) with molecular solvents like water, methanol, and dichloromethane have been selected for this investigation. The effect of addition of ionic liquids to molecular solvents on the polarity parameters E(T)(N), Kamlet-Taft parameters, hydrogen bond donor ability (HBD) (α), hydrogen bond acceptor ability (HBA) (β), and polarizability (π*) was obtained. The polarity parameters of the mixture display nonideality on addition of ionic liquids to water and dichloromethane. On the other hand, strong synergetic effects were seen in the ionic liquid-methanol binary mixtures. The preferential solvation models have been employed to analyze the collected data in order to achieve information on solute-solvent interactions in these binary mixtures. PMID:21142058

  9. Thermodiffusion, molecular diffusion and Soret coefficient of binary and ternary mixtures of n-hexane, n-dodecane and toluene.

    PubMed

    Alonso de Mezquia, David; Wang, Zilin; Lapeira, Estela; Klein, Michael; Wiegand, Simone; Mounir Bou-Ali, M

    2014-11-01

    In this study, the thermodiffusion, molecular diffusion, and Soret coefficients of 12 binary mixtures composed of toluene, n-hexane and n-dodecane in the whole range of concentrations at atmospheric pressure and temperatures of 298.15 K and 308.15 K have been determined. The experimental measurements have been carried out using the Thermogravitational Column, the Sliding Symmetric Tubes and the Thermal Diffusion Forced Rayleigh Scattering techniques. The results obtained using the different techniques show a maximum deviation of 9% for the thermodiffusion coefficient, 8% for the molecular diffusion coefficient and 2% for the Soret coefficient. For the first time we report a decrease of the thermodiffusion coefficient with increasing ratio of the thermal expansion coefficient and viscosity for a binary mixture of an organic ring compound with a short n-alkane. This observation is discussed in terms of interactions between the different components. Additionally, the thermogravitational technique has been used to measure the thermodiffusion coefficients of four ternary mixtures consisting of toluene, n-hexane and n-dodecane at 298.15 K. In order to complete the study, the values obtained for the molecular diffusion coefficient in binary mixtures, and the thermodiffusion coefficient of binary and ternary mixtures have been compared with recently derived correlations. PMID:25376978

  10. Effects of Binary Mixtures of Inducers (Toluene Analogs) and of Metals on Bioluminescence Induction of a Recombinant Bioreporter Strain

    PubMed Central

    Kong, In Chul

    2014-01-01

    This paper investigated the effects of binary mixtures of bioluminescence inducers (toluene, xylene isomers, m-toluate) and of metals (Cu, Cd, As(III), As(V), and Cr) on bioluminescence activity of recombinant (Pm-lux) strain KG1206. Different responses and sensitivities were observed depending on the types and concentrations of mixtures of inducers or metals. In the case of inducer mixtures, antagonistic and synergistic modes of action were observed, whereas metal mixtures showed all three modes of action. Antagonistic mode of action was most common for mixtures of indirect inducers, which showed bioluminescence ranging from 29% to 62% of theoretically expected effects (P(E)). On the other hand, synergistic mode of action was observed for mixtures of direct and indirect inducers, which showed bioluminescence between 141% and 243% of P(E).In the case of binary metal mixtures, bioluminescence activities were ranged from 62% to 75% and 113% to 164% of P(E) for antagonistic and synergistic modes of action, respectively (p-values 0.0001–0.038). Therefore, mixture effects could not be generalized since they were dependent on both the types and concentrations of chemicals, suggesting that biomonitoring may constitute a better strategy by investigating types and concentrations of mixture pollutants at contaminated sites. PMID:25313497

  11. Combinatorial approach for the rapid determination of thermochromic behavior of binary and ternary cholesteric liquid crystalline mixtures.

    PubMed

    van der Werff, Louise C; Robinson, Andrea J; Kyratzis, Ilias L

    2012-11-12

    A combinatorial approach was developed for the rapid determination of thermochromic behavior of a large number of binary and ternary sterol based thermochromic liquid crystalline formulations. A binary mixture containing cholesteryl oleyl carbonate and cholesteryl nonanoate, and ternary mixtures also containing a third component, either cholesteryl oleate, cholesteryl benzoate, cholesteryl 2,4-dichlorobenzoate or cholesteryl propionate, were formulated via solvent deposition into a black Teflon coated aluminum 96 well plate. The temperature of the well plate was then varied, and the color appearance of the deposited mixture in each well was recorded. This approach allowed expedient examination of the thermochromic behavior for a large range of liquid crystal formulations. The accuracy of the rapid combinatorial technique was validated on selected thermochromic liquid crystal mixture compositions by comparing well thermochromic output with that observed using UV-vis spectroscopy on material produced in gram quantities. PMID:23072483

  12. 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.

  13. Structure formation in binary mixtures of lipids and detergents: Self-assembly and vesicle division

    NASA Astrophysics Data System (ADS)

    Noguchi, Hiroshi

    2013-01-01

    Self-assembly dynamics in binary surfactant mixtures and structure changes of lipid vesicles induced by detergent solution are studied using coarse-grained molecular simulations. Disk-shaped micelles, the bicelles, are stabilized by detergents surrounding the rim of a bilayer disk of lipids. The self-assembled bicelles are considerably smaller than bicelles formed from vesicle rupture, and their size is determined by the concentrations of lipids and detergents and the interactions between the two species. The detergent-adsorption induces spontaneous curvature of the vesicle bilayer and results in vesicle division into two vesicles or vesicle rupture into worm-like micelles. The division occurs mainly via the inverse pathway of the modified stalk model. For large spontaneous curvature of the monolayers of the detergents, a pore is often opened, thereby leading to vesicle division or worm-like micelle formation.

  14. Simultaneous determination of a binary mixture of pantoprazole sodium and itopride hydrochloride by four spectrophotometric methods

    NASA Astrophysics Data System (ADS)

    Ramadan, Nesrin K.; El-Ragehy, Nariman A.; Ragab, Mona T.; El-Zeany, Badr A.

    2015-02-01

    Four simple, sensitive, accurate and precise spectrophotometric methods were developed for the simultaneous determination of a binary mixture containing Pantoprazole Sodium Sesquihydrate (PAN) and Itopride Hydrochloride (ITH). Method (A) is the derivative ratio method (1DD), method (B) is the mean centering of ratio spectra method (MCR), method (C) is the ratio difference method (RD) and method (D) is the isoabsorptive point coupled with third derivative method (3D). Linear correlation was obtained in range 8-44 μg/mL for PAN by the four proposed methods, 8-40 μg/mL for ITH by methods A, B and C and 10-40 μg/mL for ITH by method D. The suggested methods were validated according to ICH guidelines. The obtained results were statistically compared with those obtained by the official and a reported method for PAN and ITH, respectively, showing no significant difference with respect to accuracy and precision.

  15. Vapor-Liquid Equilibrium Measurements of the Binary R32+R125 Refrigerant Mixture

    NASA Astrophysics Data System (ADS)

    Higashi, Yukihiro; Miyake, Takeshi; Fujii, Ken-Ichi

    Vapor-liquid equilibrium (VLE) data of the binary R32+R125 refrigerant mixture including R410A (50mass% R32 + 50mass% R125) were obtained by the circulation-type experimental apparatus with a liquid-bath thermostat. VLE measurements were carried out in the temperatures between 263.15 K and 318.15 K and in the pressures between 505 kPa and 2724 kPa. The experimental uncertainties of temperature, pressure, and composition measurements were estimated to be within 3 mK, 0.1 %, and 0.4 %, respectively. The present data were compared with reported experimental data against the REFPROP 6.01 as well as REFPROP 7.0 calculation results.

  16. A study of the effects of macrosegregation and buoyancy-driven flow in binary mixture solidification

    NASA Technical Reports Server (NTRS)

    Sinha, S. K.; Sundararajan, T.; Garg, V. K.

    1993-01-01

    A generalized anisotropic porous medium approach is developed for modelling the flow, heat and mass transport processes during binary mixture solidification. Transient predictions are obtained using FEM, coupled with an implicit time-marching scheme, for solidification inside a two-dimensional rectangular enclosure. A parametric study focusing attention on the effects of solutal buoyancy and thermal buoyancy is presented. It is observed that three parameters, namely the thermal Rayleigh number, the solutal Rayleigh number, and the relative density change parameter, significantly alter the flow fields in the liquid and the mushy regions. Depending upon the nature of these flow fields, the solute enrichment caused by macrosegregation may occur in the top or the bottom region of the enclosure.

  17. Diffusion-stress coupling in liquid phase during rapid solidification of binary mixtures

    NASA Astrophysics Data System (ADS)

    Sobolev, S. L.

    2014-01-01

    An analytical model has been developed to describe the diffusion-viscous stress coupling in the liquid phase during rapid solidification of binary mixtures. The model starts with a set of evolution equations for diffusion flux and viscous pressure tensor, based on extended irreversible thermodynamics. It has been demonstrated that the diffusion-stress coupling leads to non-Fickian diffusion effects in the liquid phase. With only diffusive dynamics, the model results in the nonlocal diffusion equations of parabolic type, which imply the transition to complete solute trapping only asymptotically at an infinite interface velocity. With the wavelike dynamics, the model leads to the nonlocal diffusion equations of hyperbolic type and describes the transition to complete solute trapping and diffusionless solidification at a finite interface velocity in accordance with experimental data and molecular dynamic simulation.

  18. Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Octanol with Chlorobenzenes

    NASA Astrophysics Data System (ADS)

    Bhatia, Subhash C.; Sangwan, Jasbir; Rani, Ruman; Bhatia, Rachna

    2011-10-01

    Densities, ρ, viscosities, η, speeds of sound, u, and refractive indices, n D, of binary liquid mixtures of 2-octanol with 1,2-dichlorobenzene, 1,3-dichlorobenzene, and 1,2,4-trichlorobenzene have been measured over the entire range of composition at 298.15 K, 303.15 K, and 308.15 K and at atmospheric pressure. From the experimental data of the density, speed of sound, viscosity, and refractive index, the values of the excess molar volume, V E, deviations in isentropic compressibility, Δ κ S , and deviations in molar refraction, Δ R have been calculated. The calculated excess and deviation functions have been analyzed in terms of molecular interactions and structural effects.

  19. Structure formation in binary mixtures of lipids and detergents: self-assembly and vesicle division.

    PubMed

    Noguchi, Hiroshi

    2013-01-14

    Self-assembly dynamics in binary surfactant mixtures and structure changes of lipid vesicles induced by detergent solution are studied using coarse-grained molecular simulations. Disk-shaped micelles, the bicelles, are stabilized by detergents surrounding the rim of a bilayer disk of lipids. The self-assembled bicelles are considerably smaller than bicelles formed from vesicle rupture, and their size is determined by the concentrations of lipids and detergents and the interactions between the two species. The detergent-adsorption induces spontaneous curvature of the vesicle bilayer and results in vesicle division into two vesicles or vesicle rupture into worm-like micelles. The division occurs mainly via the inverse pathway of the modified stalk model. For large spontaneous curvature of the monolayers of the detergents, a pore is often opened, thereby leading to vesicle division or worm-like micelle formation. PMID:23320721

  20. Segregation in a fluidized binary granular mixture: Competition between buoyancy and geometric forces

    NASA Astrophysics Data System (ADS)

    Trujillo, L.; Alam, M.; Herrmann, H. J.

    2003-10-01

    Starting from hydrodynamic equations of binary granular mixtures, we derive an evolution equation for the relative velocity of the intruders, which is shown to be coupled to the inertia of the smaller particles. The onset of Brazil nut segregation is explained as a competition between the buoyancy and geometric forces: the Archimedean buoyancy force, a buoyancy force due to the difference between the energies of two granular species, and two geometric forces, one compressive and the other one tensile in nature, due to the size difference. We show that inelastic dissipation strongly affects the phase diagram of the Brazil nut phenomenon and our model is able to explain the experimental results of Breu et al. (Phys. Rev. Lett. 90 (2003) 014302).

  1. Ringlike spin segregation of binary mixtures in a high-velocity rotating drum

    NASA Astrophysics Data System (ADS)

    Decai, Huang; Ming, Lu; Gang, Sun; Yaodong, Feng; Min, Sun; Haiping, Wu; Kaiming, Deng

    2012-03-01

    This study presents molecular dynamics simulations on the segregation of binary mixtures in a high-velocity rotating drum. Depending on the ratio between the particle radius and density, similarities to the Brazil-nut effect and its reverse form are shown in the ringlike spin segregation patterns in radial direction. The smaller and heavier particles accumulated toward the drum wall, whereas the bigger and lighter particles accumulated toward the drum center. The effects of particle radius and density on the segregation states were quantified and the phase diagram of segregation in the ρb/ρs - rb/rs space was plotted. The observed phenomena can be explained by the combined percolation and the buoyancy effects.

  2. 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.

  3. Self-Propulsion Mechanism of Active Janus Particles in Near-Critical Binary Mixtures

    NASA Astrophysics Data System (ADS)

    Samin, Sela; van Roij, René

    2015-10-01

    Gold-capped Janus particles immersed in a near-critical binary mixture can be propelled using illumination. We employ a nonisothermal diffuse interface approach to investigate the self-propulsion mechanism of a single colloid. We attribute the motion to body forces at the edges of a micronsized droplet that nucleates around the particle. Thus, the often-used concept of a surface velocity cannot account for the self-propulsion. The particle's swimming velocity is related to the droplet shape and size, which is determined by a so-called critical isotherm. Two distinct swimming regimes exist, depending on whether the droplet partially or completely covers the particle. Interestingly, the dependence of the swimming velocity on temperature is nonmonotonic in both regimes.

  4. 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

  5. Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy.

    PubMed

    Nandi, Ujjwal Kumar; Banerjee, Atreyee; Chakrabarty, Suman; Bhattacharyya, Sarika Maitra

    2016-07-21

    We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique show that the free energy cost to create a CsCl nucleus increases as the composition of the smaller particles is decreased. We find that systems with comparatively lower free energy cost to form CsCl nucleus exhibit more pronounced pre-crystalline demixing near the liquid/crystal interface. The structural frustration between the CsCl and fcc crystal demands this demixing. We show that closer to the equimolar mixture, the entropic penalty for demixing is lower and a glass forming system may crystallize when seeded with a nucleus. This entropic penalty as a function of composition shows a non-monotonic behaviour with a maximum at a composition similar to the well known Kob-Anderson (KA) model. Although the KA model shows the maximum entropic penalty and thus maximum frustration against CsCl formation, it also shows a strong tendency towards crystallization into fcc lattice of the larger "A" particles which can be explained from the study of the energetics. Thus for systems closer to the equimolar mixture although it is the requirement of demixing which provides their stability against crystallization, for KA model it is not demixing but slow dynamics and the presence of the "B" particles make it a good glass former. The locally favoured structure around "B" particles is quite similar to the CsCl structure and the incompatibility of CsCl and fcc hinders the fcc structure growth in the KA model. Although the glass forming binary systems studied here are quite similar, differing only in composition, we find that their glass forming ability cannot be attributed to a single phenomenon. PMID:27448892

  6. Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy

    NASA Astrophysics Data System (ADS)

    Nandi, Ujjwal Kumar; Banerjee, Atreyee; Chakrabarty, Suman; Bhattacharyya, Sarika Maitra

    2016-07-01

    We present a comparative study of the glass forming ability of binary systems with varying composition, where the systems have similar global crystalline structure (CsCl+fcc). Biased Monte Carlo simulations using umbrella sampling technique show that the free energy cost to create a CsCl nucleus increases as the composition of the smaller particles is decreased. We find that systems with comparatively lower free energy cost to form CsCl nucleus exhibit more pronounced pre-crystalline demixing near the liquid/crystal interface. The structural frustration between the CsCl and fcc crystal demands this demixing. We show that closer to the equimolar mixture, the entropic penalty for demixing is lower and a glass forming system may crystallize when seeded with a nucleus. This entropic penalty as a function of composition shows a non-monotonic behaviour with a maximum at a composition similar to the well known Kob-Anderson (KA) model. Although the KA model shows the maximum entropic penalty and thus maximum frustration against CsCl formation, it also shows a strong tendency towards crystallization into fcc lattice of the larger "A" particles which can be explained from the study of the energetics. Thus for systems closer to the equimolar mixture although it is the requirement of demixing which provides their stability against crystallization, for KA model it is not demixing but slow dynamics and the presence of the "B" particles make it a good glass former. The locally favoured structure around "B" particles is quite similar to the CsCl structure and the incompatibility of CsCl and fcc hinders the fcc structure growth in the KA model. Although the glass forming binary systems studied here are quite similar, differing only in composition, we find that their glass forming ability cannot be attributed to a single phenomenon.

  7. Quantifying the rates of relaxation of binary mixtures of amorphous pharmaceuticals with isothermal calorimetry.

    PubMed

    Alem, Naziha; Beezer, Anthony E; Gaisford, Simon

    2010-10-31

    While the use of isothermal calorimetry to quantify the rate of relaxation of one-phase amorphous pharmaceuticals, through application of models, is well documented, the resolution of the models to detect and quantify relaxation in systems containing two independent amorphous phases is not known. Addressing this knowledge gap is the focus of this work. Two fitting models were tested; the Kohlrausch-Williams-Watts model (KWW) and the modified-stretch exponential (MSE). The ability of each model to resolve relaxation processes in binary systems was determined with simulated calorimetric data. It was found that as long as the relaxation time constants of the relaxation processes were with 10(3) of each other, the models could determine that two events were occurring and could quantify the correct reaction parameters of each. With greater differences in the time constants, the faster process always dominates the data and the resolving power of the models is lost. Real calorimetric data were then obtained for two binary amorphous systems (sucrose-lactose and sucrose-indomethacin mixtures). The relaxation behaviour of all the single components was characterised as they relaxed individually to provide reference data. The ability of the KWW model to recover the expected relaxation parameters for two component data was impaired because of their inherently noisy nature. The MSE model reasonably recovered the expected parameters for each component for the sucrose-indomethacin system but not for the sucrose-lactose system, which may indicate a possible interaction in that case. PMID:20655372

  8. Study the density, ultrasonic and compressibility of binary mixture of aqueous solution of isopropyl alcohol and mustard oil

    NASA Astrophysics Data System (ADS)

    Monupal, Suthar, B.

    2016-05-01

    The ultrasonic velocities, compressibility and bulk modulus of binary mixtures of aqueous solution of isopropyl alcohol with mustard oil have been measured at different concentrations at room temperature. The results are varied with the concentration in such a way i.e. ultrasonic velocity and Bulk Modulus is decreases with the increase in concentration and compressibility is increases with the increase in concentration of aqueous isopropyl alcohol. It is due to molecular interactions present in the mixtures.

  9. IUPAC-NIST Solubility Data Series. 98. Solubility of Polycyclic Aromatic Hydrocarbons in Pure and Organic Solvent Mixtures: Revised and Updated. Part 1. Binary Solvent Mixtures

    NASA Astrophysics Data System (ADS)

    Acree, William E.

    2013-03-01

    This work updates Vols. 54, 58, and 59 in the IUPAC Solubility Data Series and presents solubility data for polycyclic aromatic hydrocarbon solutes dissolved in binary organic solvent mixtures. Published solubility data for anthracene, naphthalene, phenanthrene, phenothiazine, and pyrene that appeared in the primary literature between 1995 to the end of 2011 are compiled and critically evaluated. Experimental solubility data for 360 different solute-binary solvent systems are included in the volume. Solubility data published prior to 1995 were contained in three earlier volumes (Vols. 54, 58, and 59) and are not repeated in this volume.

  10. Photophysics of Diphenylbutadiynes in Water, Acetonitrile-Water, and Acetonitrile Solvent Systems: Application to Single Component White Light Emission.

    PubMed

    Pati, Avik Kumar; Jana, Rounak; Gharpure, Santosh J; Mishra, Ashok K

    2016-07-28

    Diacetylenes have been the subject of current research because of their interesting optoelectronic properties. Herein, we report that substituted diphenylbutadiynes exhibit locally excited (LE) and excimer emissions in water and multiple emissions from the LE, excimer, and intramolecular charge transfer (ICT) states in acetonitrile-water solvent systems. The LE, excimer, and ICT emissions are clearly distinguishable for a diphenylbutadiynyl derivative with push (-NMe2)-pull (-CN) substituents and those are closely overlapped for non-push-pull analogues. In neat acetonitrile, the excimer emission disappears and the LE and ICT emissions predominate. In the case of the push (-NMe2)-pull (-CN) diphenylbutadiyne, the intensity of the ICT emission increases with increasing the fluorophore concentration. This suggests that the ICT emission accompanies with intermolecular CT emission which is of exciplex type. As the LE and exciplex emissions of the push-pull diphenylbutadiyne together cover the visible region (400-700 nm) in acetonitrile, a control of the fluorophore concentration makes the relative intensities of the LE and exciplex emissions such that pure white light emission is achieved. The white light emission is not observed in those diphenylbutadiynyl analogues in which the peripheral substituents of the phenyl rings do not possess strong push-pull character. PMID:27379734

  11. A density-functional theory study of microphase formation in binary Gaussian mixtures.

    PubMed

    Carta, M; Pini, D; Parola, A; Reatto, L

    2012-07-18

    We use density-functional theory to study the formation of inhomogeneous phases in a binary mixture of particles interacting by repulsive, athermal Gaussian potentials with suitably chosen strengths and ranges. Both the potential parameters and the free-energy functional are the same as those adopted in a previous investigation by other authors (Archer A J, Likos C N and Evans R 2004 J. Phys.: Condens. Matter 16 L297), but here a fully numerical minimization of the functional is performed, without any assumption about the functional form of the density profile. We find lamellar, rod and cluster phases. In the lamellar phase, the two species arrange into intercalating stripes; in the rod and cluster phases, the minority species is localized at the site of a periodic lattice, either triangular (for rods) or body-centred cubic (for clusters), while the other species is distributed non-uniformly in the remaining region, so that it forms a percolating network. The order of the transition from the homogeneous to the inhomogeneous phase and the phase diagram of the mixture are also discussed. PMID:22738815

  12. A density-functional theory study of microphase formation in binary Gaussian mixtures

    NASA Astrophysics Data System (ADS)

    Carta, M.; Pini, D.; Parola, A.; Reatto, L.

    2012-07-01

    We use density-functional theory to study the formation of inhomogeneous phases in a binary mixture of particles interacting by repulsive, athermal Gaussian potentials with suitably chosen strengths and ranges. Both the potential parameters and the free-energy functional are the same as those adopted in a previous investigation by other authors (Archer A J, Likos C N and Evans R 2004 J. Phys.: Condens. Matter 16 L297), but here a fully numerical minimization of the functional is performed, without any assumption about the functional form of the density profile. We find lamellar, rod and cluster phases. In the lamellar phase, the two species arrange into intercalating stripes; in the rod and cluster phases, the minority species is localized at the site of a periodic lattice, either triangular (for rods) or body-centred cubic (for clusters), while the other species is distributed non-uniformly in the remaining region, so that it forms a percolating network. The order of the transition from the homogeneous to the inhomogeneous phase and the phase diagram of the mixture are also discussed.

  13. Assessment of potential application of binary mixtures of 2,4-d with novel aminophosphonates.

    PubMed

    Sarapuk, Janusz; Klesczyńska, Halina; Bonarska, Dorota; Bielecki, Krzysztof; Trela, Zenon; Kordas, Leszek

    2005-01-01

    A series of new aminoalkane- and aminofluorenephosphonates was synthesized for agrochemical application. The particular compounds had different alkyl substituents at the carbon, nitrogen and phosphorus atoms. Their pesticidal activity was checked by applying various experimental methods. These included the measurements of compounds' potency: to inhibit growth of cucumber and germination of white mustard seeds, to influence on the membrane potential of algae and to damage human erythrocyte membranes resulting in hemolysis. All the aminophosphonates were also used in equimolar binary mixtures with the well-known herbicide 2,4-dichlorophenoxyacetic acid (2,4-D), to check, if using such mixtures, the biological efficiencies found for particular compounds could be enhanced due to interactions between aminophosphonates and 2,4-D. The results demonstrated, that depending on the structural features of the compounds, the final effects differed from antagonistic, through additive to the most promising synergistic ones. However, the type of interaction between 2,4-D and the compounds studied found in different experiments was somewhat different. In order to estimate those effects various statistical methods were used (toxic unit method, isobole method). PMID:16042343

  14. 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.

  15. Prediction of Transport Properties of Liquid Ammonia and Its Binary Mixture with Methanol by Molecular Simulation

    NASA Astrophysics Data System (ADS)

    Guevara-Carrion, Gabriela; Vrabec, Jadran; Hasse, Hans

    2012-03-01

    Transport properties of ammonia and of the binary mixture ammonia + methanol are predicted for a broad range of liquid states by molecular dynamics (MD) simulation on the basis of rigid, non-polarizable molecular models of the united-atom type. These models were parameterized in preceding work using only experimental vapor-liquid equilibrium data. The self- and the Maxwell-Stefan (MS) diffusion coefficients as well as the shear viscosity are obtained by equilibrium MD and the Green-Kubo formalism. Non-equilibrium MD is used for the thermal conductivity. The transport properties of liquid ammonia are predicted for temperatures between 223 K and 473 K up to pressures of 200 MPa and are compared to experimental data and correlations thereof. Generally, good agreement is achieved. The predicted self-diffusion coefficient as well as the shear viscosity deviates on average by less than 15 % from the experiment and the thermal conductivity by less than 6 %. Furthermore, the self- and the MS transport diffusion coefficients as well as the shear viscosity of the liquid mixture ammonia + methanol are studied at different compositions and compared to the available experimental data.

  16. Derivative Synchronous Fluorescence Spectroscopy for the Simultaneous Determination of Dapoxetine Hydrochloride and Vardenafil in Binary Mixtures

    NASA Astrophysics Data System (ADS)

    Soliman, S. M.; El-Agizy, H. M. Y.; El Bayoumi, Abd El Aziz

    2014-07-01

    The first and second derivative synchronous fluorescence spectroscopy (FDSFS&SDSFS) methods have been developed and validated for the simultaneous analysis of a binary mixture of dapoxetine hydrochloride and vardenafil. Method 1A describes a measurement of the normal synchronous fluorescence intensity of these drugs at Δλ = 35 nm using sodium dodecyl sulfate as the fluorescence enhancer in aqueous solutions. This method was extended (Method 1B) to the use of FDSFS&SDSFS for the determination of both drugs. The fluorescence concentration plots were linear over the range of 1-10 and 0.2-2 μg/ml for dapoxetine hydrochloride and vardenafil, respectively, with lower detection limits of 290 and 62.5 ng/ml, and quantification limits of 890 and 190 ng/ml for dapoxetine hydrochloride and vardenafil, respectively. The proposed method was applied for the simultaneous determination of DAP and VAR in different synthetic mixtures and in co-formulated pharmaceutical preparation. The results obtained were in good agreement with those obtained using a reference method.

  17. Investigation of compressibility and compactibility parameters of roller compacted Theophylline and its binary mixtures.

    PubMed

    Hadžović, Ervina; Betz, Gabriele; Hadžidedić, Seherzada; El-Arini, Silvia Kocova; Leuenberger, Hans

    2011-09-15

    Roller compaction is a dry granulation method which results in tablets with inferior tensile strength comparing to direct compaction. The effect of roller compaction on compressibility and compactibility of tablets prepared from Theophylline anhydrate powder, Theophylline anhydrate fine powder and Theophylline monohydrate was investigated by measuring tensile strength of tablets as well as calculating compressibility and compactibility parameters by Leuenberger equation. The tablets under the same conditions were prepared by direct compaction and roller compaction. The binary mixtures of Theophylline anhydrate powder, Theophylline anhydrate fine powder, Theophylline monohydrate and microcrystalline cellulose were prepared in order to determine the optimal ratio of active material and excipients which delivers a sufficient mechanical strength of tablets. Tensile strength of MCC tablets and compactibility parameters calculated by Leuenberger equation after roller compaction was significantly decreased, while THAP, THAFP and THMO tablets showed only a minor reduction in compactibility and compressibility. Adding MCC to a mixture with Theophylline showed that the right choice and ratio of excipients can enable a sufficient mechanical strength of the tablets after roller compaction. PMID:21704142

  18. Implementation of Chord Length Sampling for Transport Through a Binary Stochastic Mixture

    SciTech Connect

    T.J. Donovan; T.M. Sutton; Y. Danon

    2002-11-18

    Neutron transport through a special case stochastic mixture is examined, in which spheres of constant radius are uniformly mixed in a matrix material. A Monte Carlo algorithm previously proposed and examined in 2-D has been implemented in a test version of MCNP. The Limited Chord Length Sampling (LCLS) technique provides a means for modeling a binary stochastic mixture as a cell in MCNP. When inside a matrix cell, LCLS uses chord-length sampling to sample the distance to the next stochastic sphere. After a surface crossing into a stochastic sphere, transport is treated explicitly until the particle exits or is killed. Results were computed for a simple model with two different fixed neutron source distributions and three sets of material number densities. Stochastic spheres were modeled as black absorbers and varying degrees of scattering were introduced in the matrix material. Tallies were computed using the LCLS capability and by averaging results obtained from multiple realizations of the random geometry. Results were compared for accuracy and figures of merit were compared to indicate the efficiency gain of the LCLS method over the benchmark method. Results show that LCLS provides very good accuracy if the scattering optical thickness of the matrix is small ({le} 1). Comparisons of figures of merit show an advantage to LCLS varying between factors of 141 and 5. LCLS efficiency and accuracy relative to the benchmark both decrease as scattering is increased in the matrix.

  19. ETHANOL, ACETIC ACID, AND WATER ADSORPTION FROM BINARY AND TERNARY LIQUID MIXTURES ON HIGH-SILICA ZEOLITES

    EPA Science Inventory

    Adsorption isotherms were measured for ethanol, acetic acid, and water adsorbed on high-silica ZSM-5 zeolite powder from binary and ternary liquid mixtures at room temperature. Ethanol and water adsorption on two high-silica ZSM-5 zeolites with different aluminum contents and a h...

  20. Fumigant activity of eleven essential oil compounds and their selected binary mixtures against Culex pipiens pallens (Diptera: Culicidae).

    PubMed

    Ma, Wei-Bin; Feng, Jun-Tao; Jiang, Zhi-Li; Wu, Hua; Ma, Zhi-Qing; Zhang, Xing

    2014-10-01

    To seek natural products for the development of environment friendly mosquito control agents, fumigant activity of eleven essential oil compounds and the joint action of the active compounds were evaluated against Culex pipiens pallens adults. Fumigant bioassay demonstrated that carvacrol exhibited the highest fumigant activity followed by thymol and l-perillaldehyde, with LC50 values of 0.26, 0.28, and 0.34 mg/L air, respectively. Among the binary mixtures of four compounds with preferable performance, only the binary mixture of carvacrol and thymol (1:1, w/w) displayed a synergistic effect with the co-toxicity coefficient (CTC) value of 174.1 and LC50 value of 0.16 mg/L air. Furthermore, the actual efficacy of the binary mixture at 300 mg/mat (KT50 = 7.9, 15.8, and 22.0 min after 0, 2, and 4 h of preliminary heating, respectively) was comparable with that of d-allethrin at 30 mg/mat (KT50 = 8.7, 17.9, and 21.2 min after 0, 2, and 4 h of preliminary heating, respectively) tested in vaporizing mats by the glass chamber method (70 × 70 × 70 cm). These results revealed that carvacrol, thymol, and their binary mixture have potential for the development of natural fumigants for adult mosquito control. PMID:25015050

  1. An Exercise on Calibration: DRIFTS Study of Binary Mixtures of Calcite and Dolomite with Partially Overlapping Spectral Features

    ERIC Educational Resources Information Center

    De Lorenzi Pezzolo, Alessandra

    2013-01-01

    Unlike most spectroscopic calibrations that are based on the study of well-separated features ascribable to the different components, this laboratory experience is especially designed to exploit spectral features that are nearly overlapping. The investigated system consists of a binary mixture of two commonly occurring minerals, calcite and…

  2. Dielectric relaxation in ionic liquid/dipolar solvent binary mixtures: A semi-molecular theory

    NASA Astrophysics Data System (ADS)

    Daschakraborty, Snehasis; Biswas, Ranjit

    2016-03-01

    A semi-molecular theory is developed here for studying dielectric relaxation (DR) in binary mixtures of ionic liquids (ILs) with common dipolar solvents. Effects of ion translation on DR time scale, and those of ion rotation on conductivity relaxation time scale are explored. Two different models for the theoretical calculations have been considered: (i) separate medium approach, where molecularities of both the IL and dipolar solvent molecules are retained, and (ii) effective medium approach, where the added dipolar solvent molecules are assumed to combine with the dipolar ions of the IL, producing a fictitious effective medium characterized via effective dipole moment, density, and diameter. Semi-molecular expressions for the diffusive DR times have been derived which incorporates the effects of wavenumber dependent orientational static correlations, ion dynamic structure factors, and ion translation. Subsequently, the theory has been applied to the binary mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) with water (H2O), and acetonitrile (CH3CN) for which experimental DR data are available. On comparison, predicted DR time scales show close agreement with the measured DR times at low IL mole fractions (xIL). At higher IL concentrations (xIL > 0.05), the theory over-estimates the relaxation times and increasingly deviates from the measurements with xIL, deviation being the maximum for the neat IL by almost two orders of magnitude. The theory predicts negligible contributions to this deviation from the xIL dependent collective orientational static correlations. The drastic difference between DR time scales for IL/solvent mixtures from theory and experiments arises primarily due to the use of the actual molecular volume ( Vmol dip ) for the rotating dipolar moiety in the present theory and suggests that only a fraction of Vmol dip is involved at high xIL. Expectedly, nice agreement between theory and experiments appears when experimental

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

    NASA Astrophysics Data System (ADS)

    Milinkovic, K.

    2013-05-01

    We use computer simulations to study colloidal suspensions comprised of either bidisperse spherical particles or monodisperse dimer particles. The two main simulation techniques employed are a hybrid between molecular dynamics and stochastic rotation dynamics (MD-SRD), and a Monte Carlo (MC) algorithm. MD-SRD allows us to take Brownian motion and hydrodynamic interactions into account, while we use MC simulations to study equilibrium phase behavior. The first part of this thesis is dedicated to studying the Rayleigh-Taylor-like hydrodynamic instabilities which form in binary colloidal mixtures. Configurations with initially inhomogeneous distributions of colloidal species let to sediment in confinement will undergo the instability, and here we have studied the formation, evolution and the structural organization of the colloids within the instability as a function of the properties of the binary mixture. We found that the distribution of the colloids within the instability does not depend significantly on the composition of the mixtures, but does depend greatly on the relative magnitudes of the particle Peclet numbers. To follow the time evolution of the instability formation we calculated the spatial colloid velocity correlation functions, observing alternating regions in which the particle sedimentation velocities are correlated and anticorrelated. These observations are consistent with the network-like structures which are characteristic for Rayleigh-Taylor instabilities. We also calculated the growth rates of the unstable modes both from our simulation data and theoretically, finding good agreement between the obtained results. The second part of this thesis focuses on the phase behavior of monodisperse dimer systems. We first studied the phase behavior of hard snowman-shaped particles which consist of tangential hard spheres with different diameters. We used Monte Carlo simulations and free energy calculations to obtain the phase diagram as a function of the

  4. Conformational Changes of the Alanine Dipeptide in Water-Ethanol Binary Mixtures.

    PubMed

    Almeida, Glauco G; Cordeiro, João M M; Martín, M Elena; Aguilar, Manuel A

    2016-04-12

    Experimental work developed in the last years has evidenced the capacity of alcohols and polyalcohols to modify the energy landscape of peptides and proteins. However, the mechanism underlying this effect is not clear. Taking as a model system the alanine dipeptide (AD) we perform a QM/MM study in water, ethanol, and a 40-60% in volume water-ethanol mixture. The AD molecule was described at the MP2/aug-cc-pVDZ level. In polar solution, only αR and PPII conformers contribute in an appreciable way to the conformational equilibrium. The final in solution αR-PPII free energy difference is determined from the interplay between the internal energy of the dipeptide and the solute-solvent interaction free energy. Internal energy favors the formation of PPII, whereas, on the contrary, solute-solvent interaction is favorable to αR, so any factor that decreases the solute-solvent interaction free energy will increase the PPII population. The addition of ethanol increases the stability of the PPII conformer. Our results point to the presence of preferential solvation in this system, the composition of the first solvation shell in the binary mixture being dominated by water molecules. Remarkably, this fact does not affect the differential conformational stability that is controlled by long-range interactions. From the analysis of solvent density maps it is concluded that, in the water-ethanol mixture, ethanol molecules are more likely found around the alanine side chain and the carbonyl group, but while in PPII ethanol molecules interact mainly with the carbonyl group of the N-terminal end, in C5 the interaction is with the carbonyl group of the C-terminal end. In αR, ethanol interacts with both carbonyl groups. PMID:26910305

  5. 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.

  6. 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

  7. Asymmetrical phase separation and gelation in binary mixtures of oppositely charged colloids

    NASA Astrophysics Data System (ADS)

    Zong, Yiwu; Yuan, Guangcui; Han, Charles C.

    2016-07-01

    Two types of colloidal particles, which are nearly the same in chemical composition but carry opposite surface charges, are mixed in water. Depending on the relative proportion of the oppositely charged particles, the process of aggregation leads to the formation of discrete clusters of various sizes in dilute dispersions, and to the development of particle gel networks in more concentrated systems. Due to the significant difference in the absolute values of surface charges (negative particle: -48 mV, positive particle: +24 mV), the phase separation and the gelation behaviors are asymmetric with respect to the mixing ratio. Mixtures with excess negative particles are more stable, while mixtures with excess positive particles are easily affected by phase separation. The hetero-aggregation triggered by the addition of microscopically large macro-ions is similar to what is often observed in a mono-component charged colloidal system, i.e., phase separation occurs through addition of small electrolyte ions. Within the concentration region investigated here, it is clear that the gel line is buried inside the phase separation region. Gelation occurs only when the number and size of the clusters are large and big enough to connect up into a space-spanning network. Our results indicate that, in this binary mixture of oppositely charged colloids, although the interaction between unlike species is attractive and that between like species is repulsive, the onset of gelation is in fact governed by the equilibrium phase separation, as in the case of purely attractive systems with short-range isotropic interaction.

  8. Application of operator-scaling anisotropic random fields to binary mixtures

    NASA Astrophysics Data System (ADS)

    Anders, Denis; Hoffmann, Alexander; Scheffler, Hans-Peter; Weinberg, Kerstin

    2011-10-01

    In modern technical applications various multiphase mixtures are used to meet demanding mechanical, chemical and electrical requirements. To understand their structural properties as continuous macroscopic materials, it is important to capture the microstructure of these mixtures. Due to their vast range of applications multicomponent systems are subjected to microstructural changes such as phase separation and coarsening. Therefore the ultimate microstructural arrangement depends on the system's configuration and on exterior driving forces. In addition to this, random physical imperfections within the material and random noise in the exterior thermodynamic fields influence in essence the microstructural evolution. Since all physical processes are subjected to a certain degree of random inhomogeneity under realistic conditions, the influence of random phenomena cannot be neglected in modern physical models. An advanced mathematical description and an implementation of these stochastic processes are required to adapt simulation results based on deterministic mathematical models to experimental observations. In our contribution we will present an operator-scaling anisotropic random field embedded in the Cahn-Hilliard phase-field model to describe the phase evolution in a binary mixture. The arising nonlinear diffusion equation will be solved numerically in the innovative framework of the isogeometric finite element method. To illustrate the flexibility and versatility of our approach, numerical and experimental results for a eutectic Sn-Pb alloy are contraposed. This is the first time that the microstructural evolution in a multicomponent system has been associated with operator-scaling anisotropic random fields. Due to its enormous potential as an essential ingredient in stochastic mathematical and physical modeling it is only a matter of time until these processes will become prevalent in engineering applications.

  9. 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.

  10. Characterization of dimethylsulfoxide/glycerol mixtures: a binary solvent system for the study of "friction-dependent" chemical reactivity.

    PubMed

    Angulo, Gonzalo; Brucka, Marta; Gerecke, Mario; Grampp, Günter; Jeannerat, Damien; Milkiewicz, Jadwiga; Mitrev, Yavor; Radzewicz, Czesław; Rosspeintner, Arnulf; Vauthey, Eric; Wnuk, Paweł

    2016-07-21

    The properties of binary mixtures of dimethylsulfoxide and glycerol, measured using several techniques, are reported. Special attention is given to those properties contributing or affecting chemical reactions. In this respect the investigated mixture behaves as a relatively simple solvent and it is especially well suited for studies on the influence of viscosity on chemical reactivity. This is due to the relative invariance of the dielectric properties of the mixture. However, special caution must be taken with specific solvation, as the hydrogen-bonding properties of the solvent change with the molar fraction of glycerol. PMID:27339434

  11. Adsorption of binary gas mixtures in heterogeneous carbon predicted by density functional theory: on the formation of adsorption azeotropes.

    PubMed

    Ritter, James A; Pan, Huanhua; Balbuena, Perla B

    2010-09-01

    Classical density functional theory (DFT) was used to predict the adsorption of nine different binary gas mixtures in a heterogeneous BPL activated carbon with a known pore size distribution (PSD) and in single, homogeneous, slit-shaped carbon pores of different sizes. By comparing the heterogeneous results with those obtained from the ideal adsorbed solution theory and with those obtained in the homogeneous carbon, it was determined that adsorption nonideality and adsorption azeotropes are caused by the coupled effects of differences in the molecular size of the components in a gas mixture and only slight differences in the pore sizes of a heterogeneous adsorbent. For many binary gas mixtures, selectivity was found to be a strong function of pore size. As the width of a homogeneous pore increases slightly, the selectivity for two different sized adsorbates may change from being greater than unity to less than unity. This change in selectivity can be accompanied by the formation of an adsorption azeotrope when this same binary mixture is adsorbed in a heterogeneous adsorbent with a PSD, like in BPL activated carbon. These results also showed that the selectivity exhibited by a heterogeneous adsorbent can be dominated by a small number of pores that are very selective toward one of the components in the gas mixture, leading to adsorption azeotrope formation in extreme cases. PMID:20712330

  12. Molecular dynamics of a binary mixture of twist-bend nematic liquid crystal dimers studied by dielectric spectroscopy

    NASA Astrophysics Data System (ADS)

    Robles-Hernández, Beatriz; Sebastián, Nerea; Salud, Josep; Diez-Berart, Sergio; Dunmur, David A.; Luckhurst, Geoffrey R.; López, David O.; de la Fuente, M. Rosario

    2016-06-01

    We report a comprehensive dielectric characterization of a liquid crystalline binary mixture composed of the symmetric mesogenic dimer CB7CB and the nonsymmetric mesogenic dimer FFO9OCB. In addition to the high-temperature nematic phase, such a binary mixture shows a twist-bend nematic phase at room temperature which readily vitrifies on slow cooling. Changes in the conformational distribution of the dimers are reflected in the dielectric permittivity and successfully analyzed by means of an appropriate theoretical model. It is shown that the dielectric spectra of the mixture reflect the different molecular dipole properties of the components, resembling in the present case the characteristic dielectric spectra of nonsymmetric dimers. Comparison of the nematic and twist-bend nematic phases reveals that molecular dynamics are similar despite the difference in the molecular environment.

  13. 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.

  14. Ions in a binary asymmetric dipolar mixture: Mole fraction dependent Born energy of solvation and partial solvent polarization structure

    NASA Astrophysics Data System (ADS)

    Kashyap, Hemant K.; Biswas, Ranjit

    2007-11-01

    Mean spherical approximation (MSA) for electrolyte solution has been extended to investigate the role of partial solvent polarization densities around an ion in a completely asymmetric binary dipolar mixture. The differences in solvent diameters, dipole moments, and ionic size are incorporated systematically within the MSA framework in the present theory for the first time. In addition to the contributions due to difference in dipole moments, the solvent-solvent and ion-solvent size ratios are found to significantly affect the nonideality in binary dipolar mixtures. Subsequently, the theory is used to investigate the role of ion-solvent and solvent-solvent size ratios in determining the nonideality in Born free energy of solvation of a unipositive rigid ion in alcohol-water and dimethyl sulfoxide-acetonitrile mixtures, where the solvent components are represented only by their molecular diameters and dipole moments. Nonideality in Born free energy of solvation in such simplified mixtures is found to be stronger for smaller ions. The slope of the nonideality for smaller alkali metal ions in methanol-water mixture is found to be opposite to that for larger ion, such as quaternary tertiary butyl ammonium ion. For ethanol-water mixtures, the slopes are in the same direction for all the ions studied here. These results are in qualitative agreement with experiments, which is surprising as the present MSA approach does not include the hydrogen bonding and hydrophobic interactions present in the real mixtures. The calculated partial polarization densities around a unipositive ion also show the characteristic deviation from ideality and reveal the microscopic origin of the ion and solvent size dependent preferential solvation. Also, the excess free energy of mixing (in the absence of any ion) for these binary mixtures has been calculated and a good agreement between theory and experiment has been found.

  15. Binary mixtures of waxy wheat and conventional wheat as measured by NIR reflectance.

    PubMed

    Delwiche, Stephen R; Graybosch, Robert A

    2016-01-01

    Waxy wheat contains very low concentration (generally <2%) of amylose in endosperm starch, in contrast to conventional wheat whose starch is typically 20% amylose, with the balance being the branched macromolecule, amylopectin. With the release of a commercial hard winter waxy wheat cultivar in the United States, the grain trade, milling, and processing industries seek to have a rapid technique to ensure the purity of identity preserved waxy wheat lots. Near infrared (NIR) reflectance spectroscopy, a technique widely used in the cereals industry for proximate analysis, is a logical candidate for measuring contamination level and thus is the subject of this study. Two sets of wheat samples, harvested, prepared and scanned one year apart, were used to evaluate the NIR concept. One year consisted of nine pairs of conventional:waxy preparations, with each preparation consisting of 29 binary mixtures ranging in conventional wheat fraction (by weight) of 0-100% (261 spectral samples). The second year was prepared in the same fashion, with 12 preparations, thus producing 348 spectral samples. One year's samples were controlled for protein content and moisture level between pair components in order to avoid the basis for the conventional wheat fraction models being caused by something other than spectral differences attributed to waxy and nonwaxy endosperm. Likewise the second year was controlled by selection of conventional wheat for mixture preparation based on either protein content or cluster analysis of principal components of candidate spectra. Partial least squares regression, one and two-term linear regression, and support vector machine regression models were examined. Validation statistics arising from sets within the same year or across years were remarkably similar, as were those among the three regression types. A single wavelength on second derivative transformed spectra, namely 2290 nm, was effective at estimating the mixture level by weight, with standard

  16. Theoretical analysis for condensation heat transfer of binary refrigerant mixtures with annular flow in horizontal mini-tubes

    NASA Astrophysics Data System (ADS)

    Zhang, Hui-Yong; Li, Jun-Ming; Sun, Ji-Liang; Wang, Bu-Xuan

    2016-01-01

    A theoretical model is developed for condensation heat transfer of binary refrigerant mixtures in mini-tubes with diameter about 1.0 mm. Condensation heat transfer of R410A and R32/R134a mixtures at different mass fluxes and saturated temperatures are analyzed, assuming that the phase flow pattern is annular flow. The results indicate that there exists a maximum interface temperature at the beginning of condensation process for azeotropic and zeotropic mixtures and the corresponding vapor quality to the maximum value increases with mass flux. The effects of mass flux, heat flux, surface tension and tube diameter are analyzed. As expected, the condensation heat transfer coefficients increase with mass flux and vapor quality, and increase faster in high vapor quality region. It is found that the effects of heat flux and surface tension are not so obvious as that of tube diameter. The characteristics of condensation heat transfer of zeotropic mixtures are consistent to those of azeotropic refrigerant mixtures. The condensation heat transfer coefficients increase with the concentration of the less volatile component in binary mixtures.

  17. Five different spectrophotometric methods for determination of Amprolium hydrochloride and Ethopabate binary mixture

    NASA Astrophysics Data System (ADS)

    Hussein, Lobna A.; Magdy, N.; Abbas, Mahmoud M.

    2015-03-01

    Five simple, specific, accurate and precise UV-spectrophotometric methods are adopted for the simultaneous determination of Amprolium hydrochloride (AMP) and Ethopabate (ETH), a binary mixture with overlapping spectra, without preliminary separation. The first method is first derivative of the ratio spectra (1DD) for determination of AMP and ETH at 234.7 nm and 306.8 nm respectively with mean percentage recoveries 99.76 ± 0.907 and 100.29 ± 0.842 respectively. The second method is the mean centering of the ratio spectra for determination of AMP and ETH at 238.8 nm and 313 nm respectively with mean percentage recoveries 100.26 ± 1.018 and 99.94 ± 1.286 respectively. The third method is based on dual wavelength selection for determination of AMP and ETH at 235.3 nm & 308 nm and 244 nm & 268.4 nm respectively with mean percentage recoveries 99.30 ± 1.097 and 100.03 ± 1.065 respectively. The fourth method is ratio difference method for determination of AMP and ETH at 239 nm & 310 nm and 239 nm & 313 nm respectively with mean percentage recoveries 99.27 ± 0.892 and 100.40 ± 1.814 respectively. The fifth one is area under the curve (AUC) method where the areas between 235.6-243 nm and 268.3-275 nm are selected for determination of AMP and ETH with mean percentage recoveries 100.35 ± 1.031 and 100.39 ± 0.956 respectively. These methods are tested by analyzing synthetic mixtures of the two drugs and they are applied to their pharmaceutical veterinary preparation. Methods are validated according to the ICH guidelines and accuracy, precision and repeatability are found to be within the acceptable limit.

  18. Positron annihilation studies in binary solid solutions and mechanical mixtures of lanthanide dipivaloylmethanate complexes

    NASA Astrophysics Data System (ADS)

    Fulgêncio, F.; Oliveira, F. C.; Windmöller, D.; Araujo, M. H.; Marques-Netto, A.; Machado, J. C.; Magalhães, W. F.

    2015-11-01

    Measurements using positron annihilation lifetime (PALS) and Doppler broadening annihilation radiation lineshape (DBARLS) spectroscopies were performed in several lanthanide dipivaloylmethanate complexes, Ln(dpm)3 where Ln = Sm3+, Gd3+, Tb3+, Ho3+, Er3+, Yb3+ and dpm = 2,2,6,6-tetramethyl-3,5-pentanedionate, and also on their binary solid solutions and mechanical mixtures, biphasic systems, of the general formula Ln1-xEux(dpm)3. Expressive positronium formation was observed in all Ln(dpm)3 complexes, except in Eu(dpm)3 complex. The results indicate formation of solid solutions in the Sm3+, Gd3+and Tb3+ systems, where total inhibition of positronium formation was observed. A Stern-Volmer type equation, I30/I3 = 1 + kx, was used to fit the data, enabling the calculation of the inhibition constants, k. A mechanical mixture behavior, with linear variation of I3 between the I3 values of the pure complexes, was observed in systems containing Ho3+, Er3+ and Yb3+ complexes, where no effective solid solution formation occurred due to differences between the crystalline structures of these complexes and Eu(dpm)3. No positronium quenching reactions were observed in the solid solutions. DBARLS results confirmed those of PALS, evidencing that the positron annihilation spectroscopies are useful techniques to characterize the formation of solid solutions. PALS measurements at 80 K were performed in the Sm1-xEux(dpm)3 and Gd1-xEux(dpm)3 solid solutions. The results indicate that, despite a contraction in the crystalline structures, the solid solution structure remains intact at low temperatures. The temperature dependence of the inhibition constant do not seem to be understood from the positronium formation spur model and might be related to intra and intermolecular energy and charge transfer processes in the solid solutions, which is currently being studied.

  19. Pentaglyme-K salt binary mixtures: phase behavior, solvate structures, and physicochemical properties.

    PubMed

    Mandai, Toshihiko; Tsuzuki, Seiji; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi

    2015-01-28

    We prepared a series of binary mixtures composed of certain K salts (KX) and pentaglyme (G5) with different salt concentrations and anionic species ([X](-): [(CF3SO2)2N](-) = [TFSA](-), [CF3SO3](-) = [TfO](-), [C4F9SO3](-) = [NfO](-), PF6(-), SCN(-)), and characterized them with respect to their phase diagrams, solvate structures, and physicochemical properties. Their phase diagrams and thermal stability strongly implied the formation of equimolar complexes. Single-crystal X-ray crystallography was performed on certain equimolar complexes, which revealed that G5 molecules coordinate to K(+) cations in a characteristic manner, like 18-crown-6 ether in the crystalline state, irrespective of the paired anions. The solvate structures in the molten state were elucidated by a combination of temperature-dependent Raman spectroscopy and X-ray crystallography. A drastic spectral variation was observed in the [K(G5)1][TfO] Raman spectra, indicating that solvate structures in the crystalline state break apart upon melting. The solvate stability of [K(G5)1]X is closely related to the ion-ion interaction of the parent salts. A stable solvate forms when the ion-dipole interaction between K(+) and G5 overwhelms the ion-ion interaction between K(+) and X(-). Furthermore, the physicochemical properties of certain equimolar mixtures were evaluated. A Walden plot clearly reflects the ionic nature of the molten equimolar complexes. Judging from the structural characteristics and dissociativity, we classified [K(G5)1]X into two groups, good and poor solvate ionic liquids. PMID:25501925

  20. Diffusion transport coefficients for granular binary mixtures at low density: Thermal diffusion segregation

    NASA Astrophysics Data System (ADS)

    Garzó, Vicente; Murray, J. Aaron; Vega Reyes, Francisco

    2013-04-01

    The mass flux of a low-density granular binary mixture obtained previously by solving the Boltzmann equation by means of the Chapman-Enskog method is considered further. As in the elastic case, the associated transport coefficients D, Dp, and D' are given in terms of the solutions of a set of coupled linear integral equations which are approximately solved by considering the first and second Sonine approximations. The diffusion coefficients are explicitly obtained as functions of the coefficients of restitution and the parameters of the mixture (masses, diameters, and concentration) and their expressions hold for an arbitrary number of dimensions. In order to check the accuracy of the second Sonine correction for highly inelastic collisions, the Boltzmann equation is also numerically solved by means of the direct simulation Monte Carlo (DSMC) method to determine the mutual diffusion coefficient D in some special situations (self-diffusion problem and tracer limit). The comparison with DSMC results reveals that the second Sonine approximation to D improves the predictions made from the first Sonine approximation. We also study the granular segregation driven by a uni-directional thermal gradient. The segregation criterion is obtained from the so-called thermal diffusion factor Λ, which measures the amount of segregation parallel to the temperature gradient. The factor Λ is determined here by considering the second-order Sonine forms of the diffusion coefficients and its dependence on the coefficients of restitution is widely analyzed across the parameter space of the system. The results obtained in this paper extend previous works carried out in the tracer limit (vanishing mole fraction of one of the species) by some of the authors of the present paper.

  1. Effects of single pesticides and binary pesticide mixtures on estrone production in H295R cells.

    PubMed

    Prutner, Wiebke; Nicken, Petra; Haunhorst, Eberhard; Hamscher, Gerd; Steinberg, Pablo

    2013-12-01

    The aim of the present study was to determine whether the human adrenocortical carcinoma cell line H295R can be used as an in vitro test system to investigate the effects of binary pesticide combinations on estrone production as biological endpoint. In the first step ten pesticides selected according to a tiered approach were tested individually. The anilinopyrimidines cyprodinil and pyrimethanil as well as the dicarboximides iprodione and procymidone increased estrone concentration, while the triazoles myclobutanil and tebuconazole as well as the strobilurins azoxystrobin and kresoxim-methyl decreased estrone concentration in the supernatant of H295R cells. The N-methylcarbamate methomyl did not show any effects, and the phthalimide captan reduced estrone concentration unspecifically due to its detrimental impact on cellular viability. When cyprodinil and pyrimethanil, which belong to the same chemical group and increase estrone production, were combined, in most of the cases the overall effect was solely determined by the most potent compound in the mixture (i.e., cyprodinil). When cyprodinil and procymidone, which belong to different chemical groups but increase estrone production, were combined, in most cases an additive effect was observed. When cyprodinil, which increased estrone production, was combined with either myclobutanil or azoxystrobin, which decreased estrone production, the overall effect of the mixture was in most cases either entirely determined by myclobutanil or at least partially modulated by azoxystrobin. In conclusion, H295R cells appear to be an adequate in vitro test system to study the effect of combining two pesticides affecting estrone production. PMID:23708528

  2. Investigation of Binary Lipid Mixtures of a Three-Chain Cationic Lipid with Phospholipids Suitable for Gene Delivery.

    PubMed

    Wölk, Christian; Janich, Christopher; Meister, Annette; Drescher, Simon; Langner, Andreas; Brezesinski, Gerald; Bakowsky, Udo

    2015-12-16

    In the present work, we characterize binary lipid mixtures consisting of a three-chain amino-functionalized cationic lipid (DiTT4) with different phospholipids, namely, 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine (DOPE), 1,2-dimyristoyl-sn-glycero-3-phosphoethanolamine (DMPE), or 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC). The mixing behavior was investigated by differential scanning calorimetry (DSC). Additionally, aqueous dispersions of the binary mixtures were characterized by means of dynamic light scattering (DLS), laser Doppler electrophoresis, and transmission electron microscopy (TEM) to get further information about particle size, charge, and shape. The complex formation between different binary lipid mixtures and plasmid DNA (pDNA) was investigated by zeta-(ζ)-potential (laser Doppler electrophoresis) and DLS measurements, and the lipid/DNA complexes (lipoplexes) were screened for efficient DNA transfer (transfection) in cell culture. Finally, efficient lipid compositions were investigated with respect to serum stability. This work provides a detailed characterization of the cationic lipid mixtures as foundation for further research. Efficient gene transfer in the presence of serum was demonstrated for selected lipoplexes showing their capability to be used as high-potency gene delivery vehicles. PMID:26471337

  3. 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.

  4. Identification and quantification of individual volatile organic compounds in a binary mixture by SAW multisensor array and pattern recognition analysis

    NASA Astrophysics Data System (ADS)

    Penza, M.; Cassano, G.; Tortorella, F.

    2002-06-01

    We have developed a surface acoustic wave (SAW) multisensor array with five acoustic sensing elements configured as two-port resonator 433.92 MHz oscillators and a reference SAW element to recognize different individual components and determine their concentrations in a binary mixture of volatile organic compounds (VOCs) such as methanol and acetone, in the ranges 15-130 and 50-250 ppm, respectively. The SAW sensors have been specifically coated by various sensing thin films such as arachidic acid, carbowax, behenic acid, triethanolamine or acrylated polysiloxane, operating at room temperature. By using the relative frequency change as the output signal of the SAW multisensor array with an artificial neural network (ANN), a recognition system has been realized for the identification and quantification of tested VOCs. The features of the SAW multisensor array exposed to a binary component organic mixture of methanol and acetone have been extracted from the output signals of five SAW sensors by pattern recognition (PARC) techniques, such as principal component analysis (PCA). An organic vapour pattern classifier has been implemented by using a multilayer neural network with a backpropagation learning algorithm. The normalized responses of a reduced set of SAW sensors or selected principal components scores have been used as inputs for a feed-forward multilayer perceptron (MLP), resulting in a 70% correct recognition rate with the normalized responses of the four SAW sensors and in an enhanced 80% correct recognition rate with the first two principal components of the original data consisting of the normalized responses of the four SAW sensors. The prediction of the individual vapour concentrations has been tackled with PCA for features extraction and by using the first two principal components scores as inputs to a feed-forward MLP consisting of a gating network, which decides which of three specific subnets should be used to determine the output concentration: the

  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. 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).

  7. Water–solid interactions in amorphous maltodextrin-crystalline sucrose binary mixtures

    PubMed Central

    Ghorab, Mohamed K.; Toth, Scott J.; Simpson, Garth J.; Mauer, Lisa J.; Taylor, Lynne S.

    2016-01-01

    Amorphous and crystalline solids are commonly found together in a variety of pharmaceutical and food products. In this study, the influence of co-formulation of amorphous maltodextrins (MDs) and crystalline sucrose (S) on moisture sorption, deliquescence, and glass transition (Tg) properties of powder blends was investigated. Individual components and binary mixtures of four different molecular weight MDs with sucrose in 1:1 w/w ratios were exposed to various relative humidity (RH) environments and their equilibrium and dynamic moisture contents were monitored. The deliquescence point (RH0) and dissolution behavior of sucrose alone and in blends was also monitored by polarized light microscopy and second harmonic generation imaging. In S:MD blends, the deliquescence RH of sucrose was lower than the RH0 of sucrose alone, and synergistic moisture sorption also occurred at RHs lower than the RH0. Intimate contact of sucrose crystals with the amorphous MDs resulted in complete dissolution of sucrose at RH < RH0. When blends were stored at conditions exceeding the Tg of the individual MDs (25 °C and 60%, 49% and 34%RH for MD21, MD29 and MD40, respectively), the Tg of the blends was lower than that of individual MDs. Thus, co-formulation of amorphous MDs with crystalline sucrose sensitizes the blend to moisture, potentially leading to deleterious changes in the formulation if storage conditions are not adequately controlled. PMID:23477494

  8. Quantum properties of a binary bosonic mixture in a double well

    NASA Astrophysics Data System (ADS)

    Mujal, Pere; Juliá-Díaz, Bruno; Polls, Artur

    2016-04-01

    This work contains a detailed analysis of the properties of the ground state of a two-component two-site Bose-Hubbard model, which captures the physics of a binary mixture of Bose-Einstein condensates trapped in a double-well potential. The atom-atom interactions within each species and among the two species are taken as variable parameters, while the hopping terms are kept fixed. To characterize the ground state, we use observables such as the imbalance of population and its quantum uncertainty. The quantum many-body correlations present in the system are further quantified by studying the degree of condensation of each species, the entanglement between the two sites, and the entanglement between the two species. The latter is measured by means of the Schmidt gap, the von Neumann entropy, or the purity obtained after tracing out a part of the system. A number of relevant states are identified, e.g., Schrödinger catlike many-body states, in which the outcome of the population imbalance of both components is completely correlated, and other states with even larger von Neumann entropy which have a large spread in Fock space.

  9. Validation of different spectrophotometric methods for determination of vildagliptin and metformin in binary mixture

    NASA Astrophysics Data System (ADS)

    Abdel-Ghany, Maha F.; Abdel-Aziz, Omar; Ayad, Miriam F.; Tadros, Mariam M.

    New, simple, specific, accurate, precise and reproducible spectrophotometric methods have been developed and subsequently validated for determination of vildagliptin (VLG) and metformin (MET) in binary mixture. Zero order spectrophotometric method was the first method used for determination of MET in the range of 2-12 μg mL-1 by measuring the absorbance at 237.6 nm. The second method was derivative spectrophotometric technique; utilized for determination of MET at 247.4 nm, in the range of 1-12 μg mL-1. Derivative ratio spectrophotometric method was the third technique; used for determination of VLG in the range of 4-24 μg mL-1 at 265.8 nm. Fourth and fifth methods adopted for determination of VLG in the range of 4-24 μg mL-1; were ratio subtraction and mean centering spectrophotometric methods, respectively. All the results were statistically compared with the reported methods, using one-way analysis of variance (ANOVA). The developed methods were satisfactorily applied to analysis of the investigated drugs and proved to be specific and accurate for quality control of them in pharmaceutical dosage forms.

  10. ThermoData Engine (TDE): software implementation of the dynamic data evaluation concept. 3. Binary mixtures.

    PubMed

    Diky, Vladimir; Chirico, Robert D; Kazakov, Andrei F; Muzny, Chris D; Frenkel, Michael

    2009-02-01

    ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported recently in this journal. The present paper describes the first application of this concept to the evaluation of thermophysical properties for binary chemical systems. Five activity-coefficient models have been implemented for representation of phase-equilibrium data (vapor-liquid, liquid-liquid, and solid-liquid equilibrium): NRTL, UNIQUAC, Van Laar, Margules/Redlich-Kister, and Wilson. Implementation of these models in TDE is fully described. Properties modeled individually are densities, surface tensions, critical temperatures, critical pressures, excess enthalpies, and the transport properties-viscosity and thermal conductivity. Extensions to the class structure of the program are described with emphasis on special features allowing close linkage between mixture and pure-component properties required for implementation of the models. Details of gas-phase models used in conjunction with the activity-coefficient models are shown. Initial implementation of the dynamic data evaluation concept for reactions is demonstrated with evaluation of enthalpies of formation for compounds containing carbon, hydrogen, oxygen, and nitrogen. Directions for future enhancements are outlined. PMID:19434848

  11. A Logistic Regression Mixture Model for Interval Mapping of Genetic Trait Loci Affecting Binary Phenotypes

    PubMed Central

    Deng, Weiping; Chen, Hanfeng; Li, Zhaohai

    2006-01-01

    Often in genetic research, presence or absence of a disease is affected by not only the trait locus genotypes but also some covariates. The finite logistic regression mixture models and the methods under the models are developed for detection of a binary trait locus (BTL) through an interval-mapping procedure. The maximum-likelihood estimates (MLEs) of the logistic regression parameters are asymptotically unbiased. The null asymptotic distributions of the likelihood-ratio test (LRT) statistics for detection of a BTL are found to be given by the supremum of a χ2-process. The limiting null distributions are free of the null model parameters and are determined explicitly through only four (backcross case) or nine (intercross case) independent standard normal random variables. Therefore a threshold for detecting a BTL in a flanking marker interval can be approximated easily by using a Monte Carlo method. It is pointed out that use of a threshold incorrectly determined by reading off a χ2-probability table can result in an excessive false BTL detection rate much more severely than many researchers might anticipate. Simulation results show that the BTL detection procedures based on the thresholds determined by the limiting distributions perform quite well when the sample sizes are moderately large. PMID:16272416

  12. Separation of Wigner structures for two-dimensional equimolar binary mixtures of Coulomb particles

    NASA Astrophysics Data System (ADS)

    Travěnec, Igor; Šamaj, Ladislav

    2016-03-01

    We study the lowest energy configurations of an equimolar binary mixture of classical pointlike particles with charges Q1 and Q2, such that q =Q2/Q1∈[0 ,1 ] . The particles interact pairwise via three-dimensional (3D) Coulomb potential and are confined to a 2D plane with a homogeneous neutralizing background charge density. In a recent paper by M. Antlanger and G. Kahl [Condens. Matter Phys. 16, 43501 (2013), 10.5488/CMP.16.43501], using numerical computations based on an evolutionary algorithm, six fully mixed structures were identified for 0 ≤q ≲0.59 , while the separation of Q1 and Q2 pure hexagonal phases minimizes the energy for 0.59 ≲q <1 . Here, we introduce a structure which consists of the separation of two phases: a pure hexagonal one formed by a fraction of particles with the larger charge Q1 and the other a mixed one containing different numbers of Q1 and Q2 charges. Using an analytic method based on an expansion of the interaction energy in Misra functions, we show that this structure provides the lowest energy in two intervals of q values, 0

  13. Effect of Glycerol Water Binary Mixtures on the Structure and Dynamics of Protein Solutions

    SciTech Connect

    Ghattyvenkatakrishna, Pavan K; Carri, Gustavo A.

    2014-01-01

    We have performed 20ns of fully atomistic molecular dynamics simulations of Hen Egg-White Lysozyme in 0, 10, 20, 30 and 100% by weight of glycerol in water to better understand the microscopic physics behind the bioprotection offered by glycerol to naturally occuring biological systems. The sovlent exposure of protein surface residues changes when glycerol is introduced. The dynamic behavior of the protein, as quantified by the Incoherent Intermediate Scattering Function, shows a non-monotonic dependence on glycerol content. The fluctuations of the protein residues with respect to each other were found to be similar in all water containing solvents; but different from the pure glycerol case. The increase in the number of protein glycerol hydrogen bonds in glycerol water binary mixtures explains the slowing down of protein dynamics as the glycerol content increases. We also explored the dynamic behavior of the hydration layer. We show that the short-length scale dynamics of this layer are insenstive to glycerol concentration. However, the long-length scale behavior shows a significant dependence on glycerol content. We also provide insights into the behavior of bound and mobile water molecules.

  14. Application of normalized spectra in resolving a challenging Orphenadrine and Paracetamol binary mixture

    NASA Astrophysics Data System (ADS)

    Yehia, Ali M.; Abd El-Rahman, Mohamed K.

    2015-03-01

    Normalized spectra have a great power in resolving spectral overlap of challenging Orphenadrine (ORP) and Paracetamol (PAR) binary mixture, four smart techniques utilizing the normalized spectra were used in this work, namely, amplitude modulation (AM), simultaneous area ratio subtraction (SARS), simultaneous derivative spectrophotometry (S1DD) and ratio H-point standard addition method (RHPSAM). In AM, peak amplitude at 221.6 nm of the division spectra was measured for both ORP and PAR determination, while in SARS, concentration of ORP was determined using the area under the curve from 215 nm to 222 nm of the regenerated ORP zero order absorption spectra, in S1DD, concentration of ORP was determined using the peak amplitude at 224 nm of the first derivative ratio spectra. PAR concentration was determined directly at 288 nm in the division spectra obtained during the manipulation steps in the previous three methods. The last RHPSAM is a dual wavelength method in which two calibrations were plotted at 216 nm and 226 nm. RH point is the intersection of the two calibration lines, where ORP and PAR concentrations were directly determined from coordinates of RH point. The proposed methods were applied successfully for the determination of ORP and PAR in their dosage form.

  15. 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.

  16. Density functional theory of gas-liquid phase separation in dilute binary mixtures.

    PubMed

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-22

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas [Formula: see text] (the Gibbs energy of transfer) is considerably larger than the thermal energy [Formula: see text] for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by [Formula: see text], where [Formula: see text] is the solute density added in liquid. For [Formula: see text], phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor. PMID:27115676

  17. Novel spectroscopic methods for determination of Cromolyn sodium and Oxymetazoline hydrochloride in binary mixture

    NASA Astrophysics Data System (ADS)

    Abdel-Aziz, Omar; El-Kosasy, A. M.; Magdy, N.; El Zahar, N. M.

    2014-10-01

    New accurate, sensitive and selective spectrophotometric and spectrofluorimetric methods were developed and subsequently validated for determination of Cromolyn sodium (CS) and Oxymetazoline HCl (OXY) in binary mixture. These methods include ‘H-point standard addition method (HPSAM) and area under the curve (AUC)' spectrophotometric method and first derivative synchronous fluorescence spectroscopic (FDSFS) method. For spectrophotometric methods, absorbances were recorded at 241.5 nm and 274.9 nm for HPSAM and the wavelength was selected in ranges 232.0-254.0 nm and 216.0-229.0 nm for AUC method, where the concentration was obtained by applying Cramer's rule. For FDSFS method, the first-derivative synchronous fluorescence signal was measured at 290.0 nm, using Δλ = 145.0 nm. The suggested methods were validated according to International Conference of Harmonization (ICH) guidelines and the results revealed that they were precise and reproducible. All the obtained results were statistically compared with those of the reported method and there was no significant difference.

  18. 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

  19. An analytical method of predicting Lee-Kesler-Ploecker binary interaction coefficients: Part 1, For non-polar hydrocarbon mixtures

    SciTech Connect

    Sand, J.R.

    1994-12-31

    An analytical method is proposed for finding numerical values of binary interaction coefficients for non-polar hydrocarbon mixtures when the Lee-Kesler (LK) equation of state is applied. The method is based on solving simultaneous equations, which are Ploecker`s mixing rules for pseudocritical parameters of a mixture, and the Lee-Kesler equation for the saturation line. For a hydrocarbon mixture, the method allows prediction of {kappa}{sub ij} interaction coefficients (ICs) which are close to values obtained by processing experimental p-v-t data on the saturation line and subsequent averaging. For mixtures of hydrocarbon molecules containing from 2 to 9 carbon atoms, the divergence between calculated and experimentally based ICs is no more than {plus_minus}0.4%. The possibility of extending application of this method to other non-polar substances is discussed.

  20. Densities, Excess Molar Volumes, Viscosities, and Refractive Indices of Binary Mixtures of n-Butyl Acetate with 1-Chloroalkanes (C4-C8) at 298.15 K

    NASA Astrophysics Data System (ADS)

    Iloukhani, H.; Khanlarzadeh, K.; Rakhshi, M.

    2011-03-01

    Densities, viscosities, and refractive indices of binary mixtures of n-butyl acetate (1) +1-chlorobutane (2), +1-chloropentane (2), +1-chlorohexane (2), +1-chloroheptane (2), and +1-chlorooctane (2) were measured at 298.15 K for the liquid region and at ambient pressure for the whole composition range. The excess molar volumes V E were calculated from experimental densities. McAllister's three-body interaction, and Hind and Grunberg-Nissan models are used for correlating the viscosity of binary mixtures. The experimental data of binaries are analyzed to discuss the nature and strength of intermolecular interactions in these mixtures.

  1. Binary mixtures of rod-like colloids under shear: microscopically-based equilibrium theory and order-parameter dynamics

    NASA Astrophysics Data System (ADS)

    Lugo-Frías, Rodrigo; Klapp, Sabine H. L.

    2016-06-01

    This paper is concerned with the dynamics of a binary mixture of rod-like, repulsive colloidal particles driven out of equilibrium by means of a steady shear flow (Couette geometry). To this end we first derive, starting from a microscopic density functional in Parsons–Lee approximation, a mesoscopic free energy functional whose main variables are the orientational order parameter tensors. Based on this mesoscopic functional we then explore the stability of isotropic and nematic equilibrium phases in terms of composition and rod lengths. Second, by combining the equilibrium theory with the Doi–Hess approach for the order parameter dynamics under shear, we investigate the orientational dynamics of binary mixtures for a range of shear rates and coupling parameters. We find a variety of dynamical states, including synchronized oscillatory states of the two components, but also symmetry breaking behavior where the components display different in-plane oscillatory states.

  2. Comparative study on the selectivity of various spectrophotometric techniques for the determination of binary mixture of fenbendazole and rafoxanide.

    PubMed

    Saad, Ahmed S; Attia, Ali K; Alaraki, Manal S; Elzanfaly, Eman S

    2015-11-01

    Five different spectrophotometric methods were applied for simultaneous determination of fenbendazole and rafoxanide in their binary mixture; namely first derivative, derivative ratio, ratio difference, dual wavelength and H-point standard addition spectrophotometric methods. Different factors affecting each of the applied spectrophotometric methods were studied and the selectivity of the applied methods was compared. The applied methods were validated as per the ICH guidelines and good accuracy; specificity and precision were proven within the concentration range of 5-50 μg/mL for both drugs. Statistical analysis using one-way ANOVA proved no significant differences among the proposed methods for the determination of the two drugs. The proposed methods successfully determined both drugs in laboratory prepared and commercially available binary mixtures, and were found applicable for the routine analysis in quality control laboratories. PMID:26093118

  3. Binary mixtures of rod-like colloids under shear: microscopically-based equilibrium theory and order-parameter dynamics.

    PubMed

    Lugo-Frías, Rodrigo; Klapp, Sabine H L

    2016-06-22

    This paper is concerned with the dynamics of a binary mixture of rod-like, repulsive colloidal particles driven out of equilibrium by means of a steady shear flow (Couette geometry). To this end we first derive, starting from a microscopic density functional in Parsons-Lee approximation, a mesoscopic free energy functional whose main variables are the orientational order parameter tensors. Based on this mesoscopic functional we then explore the stability of isotropic and nematic equilibrium phases in terms of composition and rod lengths. Second, by combining the equilibrium theory with the Doi-Hess approach for the order parameter dynamics under shear, we investigate the orientational dynamics of binary mixtures for a range of shear rates and coupling parameters. We find a variety of dynamical states, including synchronized oscillatory states of the two components, but also symmetry breaking behavior where the components display different in-plane oscillatory states. PMID:27115342

  4. Dielectric relaxation study of binary mixture of sulfolane and N,N-dimethylformamide in benzene solution using microwave absorption data

    NASA Astrophysics Data System (ADS)

    Singh, Dalip; Thakur, Nagesh; Sharma, D. R.

    2012-12-01

    The dielectric constant (ɛ') and dielectric loss (ɛ″) for dilute solutions of the binary mixture of different molar concentrations of sulfolane and DMF in benzene solution has been measured at 9.885 GHz and different temperatures (25, 30, 35, 40°C) by using standard microwave techniques. Following the single frequency concentration variational method, the dielectric relaxation time (τ) and dipole moment (μ) have been calculated. It is found that dielectric relaxation process can be treated as the rate process, just like the viscous flow. The presence of solute-solute molecular associations in benzene solution has been proposed. Energy parameters (Δ H ɛ, Δ F ɛ, Δ S ɛ) for dielectric relaxation process of binary mixture at 50% mole fraction in benzene at 25, 30, 35, and 40°C have been calculated and compared with the corresponding energy parameters (Δ H η, Δ F η, Δ S η) for the viscous flow.

  5. Dynamical dimer structure and liquid structure of fatty acids in their binary liquid mixture: dodecanoic and 3-phenylpropionic acids system.

    PubMed

    Iwahashi, Makio; Takebayashi, Shintaro; Umehara, Atsushi; Kasahara, Yasutoshi; Minami, Hideyuki; Matsuzawa, Hideyo; Inoue, Tohru; Takahashi, Hiroshi

    2004-05-01

    Dimer structure and liquid structure of fatty acids in the binary liquid mixture of dodecanoic (LA) and 3-phenylpropionic acids (PPA) were studied through the measurements of DSC, self-diffusion coefficient (D), density, viscosity, 13C NMR spin-lattice relaxation time, small-angle X-ray scattering (SAXS), and small-angle neutron scattering (SANS). The phase diagram of LA/PPA mixture exhibited a typical eutectic pattern, which means that LA and PPA are completely immiscible in solid phase. In the liquid phase of the LA/PPA mixture, D of LA always differed from that of PPA irrespective of their compositions. This exhibited that, in the liquid phase of the binary mixture of fatty acids giving a complete eutectic in the solid phase, the fatty acid dimers are composed of the same fatty acid species irrespective of their compositions. The liquid structure of the LA/PPA mixture was clarified through the SAXS and also the SANS measurements. PMID:15081860

  6. Continuous Wavelet Transform, a powerful alternative to Derivative Spectrophotometry in analysis of binary and ternary mixtures: A comparative study.

    PubMed

    Elzanfaly, Eman S; Hassan, Said A; Salem, Maissa Y; El-Zeany, Badr A

    2015-12-01

    A comparative study was established between two signal processing techniques showing the theoretical algorithm for each method and making a comparison between them to indicate the advantages and limitations. The methods under study are Numerical Differentiation (ND) and Continuous Wavelet Transform (CWT). These methods were studied as spectrophotometric resolution tools for simultaneous analysis of binary and ternary mixtures. To present the comparison, the two methods were applied for the resolution of Bisoprolol (BIS) and Hydrochlorothiazide (HCT) in their binary mixture and for the analysis of Amlodipine (AML), Aliskiren (ALI) and Hydrochlorothiazide (HCT) as an example for ternary mixtures. By comparing the results in laboratory prepared mixtures, it was proven that CWT technique is more efficient and advantageous in analysis of mixtures with severe overlapped spectra than ND. The CWT was applied for quantitative determination of the drugs in their pharmaceutical formulations and validated according to the ICH guidelines where accuracy, precision, repeatability and robustness were found to be within the acceptable limit. PMID:26186613

  7. 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

  8. Low-pressure equilibrium binary argon-methane gas mixture adsorption on exfoliated graphite: Experiments and simulations

    NASA Astrophysics Data System (ADS)

    Albesa, Alberto; Russell, Brice; Vicente, José Luis; Rafti, Matías

    2016-04-01

    Adsorption equilibrium measurements of pure methane, pure argon, and binary mixtures over exfoliated graphite were carried for different initial compositions, temperatures, and total pressures in the range of 0.1-1.5 Torr using the volumetric static method. Diagrams for gas and adsorbed phase compositions were constructed for the conditions explored, and isosteric heats of adsorption were calculated. Experimental results were compared with predictions obtained with Monte Carlo simulations and using the Ideal Adsorbed Solution Theory (IAST).

  9. Adsorption equilibrium of binary methane/ethane mixtures in BPL activated carbon: isotherms and calorimetric heats of adsorption.

    PubMed

    He, Yufeng; Yun, Jeong-Ho; Seaton, Nigel A

    2004-08-01

    The adsorption of pure methane and ethane in BPL activated carbon has been measured at temperatures between 264 and 373 K and at pressures up to 3.3 MPa with a bench-scale high-pressure open-flow apparatus. The same apparatus was used to measure the adsorption of binary methane/ethane mixtures in BPL at 301.4 K and at pressures up to 2.6 MPa. Thermodynamic consistency tests demonstrate that the data are thermodynamically consistent. In contrast to two sets of data previously published, we found that the adsorption of binary methane/ethane in BPL behaves ideally (in the sense of obeying ideal adsorbed solution theory, IAST) throughout the pressure and gas-phase composition range studied. A Tian-Calvet type microcalorimeter was used to measure low-pressure isotherms, the isosteric heats of adsorption of pure methane and ethane in BPL activated carbon, and the individual heats of adsorption in binary mixtures, at 297 K and at pressures up to 100 kPa. The mixture heats of adsorption were consistent with IAST. PMID:15274571

  10. DISSOLUTION AND COMPATIBILITY STUDY OF BINARY AND TERNARY INTERACTIVE MIXTURES OF INDOMETHACIN: COMPARISON WITH COMMERCIALLY AVAILABLE CAPSULES.

    PubMed

    Maswadeh, Hamzah M

    2016-01-01

    The main objective of this work was to use Weibull distribution function and Baker-Lonsdale models to study the dissolution kinetics of prepared binary and ternary interactive mixtures containing indomethacin in comparison with three commercially available capsules of indomethacin, namely, Rothacin®, Indomin® and Indylon®. Differential scanning calorimetry (DSC) in conjunction with cloud point method was used to study the compatibility of indomethacin with polyvinylpyrrolidone (PVP) and lactose and to provide an explanation(s) for the insignificant increase in dissolution rate observed in the ternary interactive mixture as well as for the reduction in the dissolution rate observed from the binary system in our previous study. Results showed that the Weibull distribution function equation was the best fit to the dissolution data for all formulations used in this study. DSC curves showed that the decrease in dissolution rate from the binary and ternary interactive mixtures was due to incompatibility of indomethacin with PVP. Also DSC curves showed that lactose was compatible with indomethacin and that lactose was used as excipient in two commercial products (Rothacin® and Indylon®). Results from the cloud point method showed that the addition of indomethacin to 1% PVP solution containing ammonium sulfate (with cloud point at 76°C) reduces the cloud point of PVP indicating that there is an interaction between indomethacin and PVP, while the cloud point of 1% PVP containing ammonium sulfate was not affected by the addition of lactose. PMID:27476292

  11. [Viscoelastic behaviour of inlay waxes. (Part 2) Physical and dynamic viscoelastic properties for binary mixtures of waxes (author's transl)].

    PubMed

    Katakura, N

    1981-01-01

    Binary mixtures of waxes added carnauba wax, beeswax or dammar to paraffin were investigated by measurements of X-ray diffraction, dilatometry, differential thermal analysis and dynamic viscoelasticity. The relationships between the viscoelastic behaviour and the physical properties of these waxes were discussed. Additions of carnauba wax to paraffin changed drastically viscoelastic properties of paraffin, that is, increased the dynamic modulus, G', and decreased the loss tangent, tan delta, in the region of higher temperatures including the crystal transition temperature region of paraffin. The possible explanation for this change of viscoelastic properties is that the presence of crystals of carnauba wax composed of longer chain molecules than that of paraffin rises interfacial interaction. The temperature dependence of viscoelastic properties for binary mixtures of paraffin and beeswax was approximately the same as that of paraffin. This is because paraffin and beeswax may form a sort of homogeneous phases. Additions of dammar to paraffin increased the elasticity of paraffin in the region of lower temperatures, but did not effected to change of G' and tan delta in the region of higher temperatures. Another effect of additions of dammar was to lower the thermal expansion of binary mixtures. PMID:6943233

  12. Accurate values of some thermodynamic properties for carbon dioxide, ethane, propane, and some binary mixtures.

    PubMed

    Velasco, Inmaculada; Rivas, Clara; Martínez-López, José F; Blanco, Sofía T; Otín, Santos; Artal, Manuela

    2011-06-30

    Quasicontinuous PρT data of CO(2), ethane, propane, and the [CO(2) + ethane] mixture have been determined along subcritical, critical, and supercritical regions. These data have been used to develop the optimal experimental method and to determine the precision of the results obtained when using an Anton Paar DMA HPM vibrating-tube densimeter. A comparison with data from reference EoS and other authors confirm the quality of our experimental setup, its calibration, and testing. For pure compounds, the value of the mean relative deviation is MRD(ρ) = 0.05% for the liquid phase and for the extended critical and supercritical region. For binary mixtures the mean relative deviation is MRD(ρ) = 0.70% in the range up to 20 MPa and MRD(ρ) = 0.20% in the range up to 70 MPa. The number of experimental points measured and their just quality have enable us to determine some derivated properties with satisfactory precision; isothermal compressibilities, κ(T), have been calculated for CO(2) and ethane (MRD(κ(T)) = 1.5%), isobaric expasion coefficients, α(P), and internal pressures, π(i), for CO(2) (MRD(α(P)) = 5% and MRD(π(i)) = 7%) and ethane (MRD(α(P)) = 7.5% and MRD(π(i)) = 8%). An in-depth discussion is presented on the behavior of the properties obtained along subcritical, critical, and supercritical regions. In addition, PuT values have been determined for water and compressed ethane from 273.19 to 463.26 K up to pressures of 190.0 MPa, using a device based on a 5 MHz pulsed ultrasonic system (MRD(u) = 0.1%). With these data we have calibrated the apparatus and have verified the adequacy of the operation with normal liquids as well as with some compressed gases. From density and speed of sound data of ethane, isentropic compressibilities, κ(s), have been obtained, and from these and our values for κ(T) and α(P), isobaric heat capacities, C(p), have been calculated with MRD(C(p)) = 3%, wich is within that of the EoS. PMID:21639086

  13. 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

  14. Density functional theory of gas–liquid phase separation in dilute binary mixtures

    NASA Astrophysics Data System (ADS)

    Okamoto, Ryuichi; Onuki, Akira

    2016-06-01

    We examine statics and dynamics of phase-separated states of dilute binary mixtures using density functional theory. In our systems, the difference of the solvation chemical potential between liquid and gas Δ {μ\\text{s}} (the Gibbs energy of transfer) is considerably larger than the thermal energy {{k}\\text{B}}T for each solute particle and the attractive interaction among the solute particles is weaker than that among the solvent particles. In these conditions, the saturated vapor pressure increases by {{k}\\text{B}}Tn2\\ell\\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right) , where n2\\ell is the solute density added in liquid. For \\exp ≤ft(Δ {μ\\text{s}}/{{k}\\text{B}}T\\right)\\gg 1 , phase separation is induced at low solute densities in liquid and the new phase remains in gaseous states, even when the liquid pressure is outside the coexistence curve of the solvent. This explains the widely observed formation of stable nanobubbles in ambient water with a dissolved gas. We calculate the density and stress profiles across planar and spherical interfaces, where the surface tension decreases with increasing interfacial solute adsorption. We realize stable solute-rich bubbles with radius about 30 nm, which minimize the free energy functional. We then study dynamics around such a bubble after a decompression of the surrounding liquid, where the bubble undergoes a damped oscillation. In addition, we present some exact and approximate expressions for the surface tension and the interfacial stress tensor.

  15. Separation Analysis in a High-Speed Rotating Cylinder for a Binary Gas Mixture

    NASA Astrophysics Data System (ADS)

    Pradhan, Sahadev; Kumaran, Viswanathan

    2015-11-01

    The solutions of the species balance equations linked with the generalized Onsager model for the secondary gas flow in a high-speed rotating cylinder are compared with the direct simulation Monte Carlo (DSMC) simulations for a binary gas mixture. The concentration fields are obtained three different types of driving mechanism. These are: (a) wall thermal forcing, (b) inflow/outflow of gas along the axis, and (c) momentum source/sink inside the flow domain, for the stratification parameter (A) in the range (0.707- 3.535), and Reynolds number (Re) in the range (102 - 106 with aspect ratio (length / diameter) = 2, 4, 8. Two different types of cases have been considered, (a) no mass difference (ɛa = (2 Δm/(m1 + m2)) = 0), and (b) with mass difference (ɛa = 0.2 and 0.5) while calculating the secondary flow field in the analytical solution. Here, the stratification prameter A = √((mavΩ2 R2)/(2 kB T)), and the Reynolds number Re = ρw Ω R2)/ μ, where m is the molecular mass, Ω and R are the angular velocity and radius of the cylinder, ρw is the wall density, μ is the gas viscosity and T is the gas temperature. The comparison between numerical and analytical solution reveals that the boundary conditions in the numerical simulations and analytical model have to be matched with care. The commonly used ``diffuse reflection'' boundary conditions at the solid walls in DSMC simulations result in a non-zero slip velocity as well as a ``temperature slip'' (gas temperature at the wall is different from wall temperature).

  16. Self-assembly of mixtures of nanorods in binary, phase-separating blends

    SciTech Connect

    Yan, Li-Tang; Maresov, Egor; Buxton, Gavin A.; Balazs, Anna C.

    2010-01-01

    Aligned nanorod inclusions have the potential to significantly improve both the photovoltaic and mechanical properties of polymeric materials. Establishing facile methods for driving or “corralling” the nanorods to self-assemble into such aligned morphologies could facilitate the fabrication of effective, robust devices. Using a variety of computational methods, we model the self-assembly of a mixture of A-coated and B-coated rods in an AB phase-separating blend. Using dissipative particle dynamics (DPD) simulations, we first show that the steric repulsion between ligands causes the coated rods to preferentially align end-to-end within the minority phase of the binary blend. Using this information, we then utilize a coarse-grained approach, which combines a Cahn–Hilliard (CH) model for the polymer blend with a Brownian dynamics (BD) simulation for the rods, to simulate a larger sample of a rod-filled 30:70 AB thin film. We find that just a small volume fraction of B rods in the majority B phase promotes the percolation of A-like rods within A, so that the percolation threshold for the A-rods is significantly lowered. If, however, the number of Bnanorods in the B phase exceeds a particular volume fraction, the B particles inhibit the percolation of the A rods. Thus, there is an optimal volume fraction of Bnanorods that provides the beneficial effects. The output from these morphological studies then serves as the input to the lattice spring model (LSM) for mechanical behavior of the composite. The results reveal that nanorods oriented along the tensile direction contribute to the enhancement of the macroscopic mechanical properties of the material. This multi-scale approach, integrating techniques that cover the microscopic, mesoscopic and macroscopic, provides a valuable means of determining structure–property relationships in nanocomposites and establishing useful guidelines for tailoring the components to yield optimal materials' properties.

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

    NASA Astrophysics Data System (ADS)

    Almasi, Mohammad

    2013-03-01

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

  18. 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.

  19. Binary and Tertiary Mixtures of Satureja hortensis and Origanum vulgare Essential Oils as Potent Antimicrobial Agents Against Helicobacter pylori.

    PubMed

    Lesjak, Marija; Simin, Natasa; Orcic, Dejan; Franciskovic, Marina; Knezevic, Petar; Beara, Ivana; Aleksic, Verica; Svircev, Emilija; Buzas, Krisztina; Mimica-Dukic, Neda

    2016-03-01

    Essential oils possess strong antimicrobial activity, even against multiresistant Helicobacter pylori. Available therapies against H. pylori infection have multiple disadvantages, indicating a great need for a development of new therapeutics. The purpose of this study was to develop a potent natural product based anti-H. pylori formulation. First, anti-H. pylori activity of nine essential oils was determined, after which the most active oils were mixed in various ratios for further testing. Satureja hortensis, Origanum vulgare subsp. vulgare and O. vulgare subsp. hirtum essential oils expressed the highest activity (MIC = 2 μL mL(-1)). Their binary and ternary mixtures exhibited notably higher antimicrobial activity (MIC ≤ 2 μL mL(-1)). The most active was the mixture of S. hortensis and O. vulgare subsp. hirtum oils in volume ratio 2:1, which expressed 4 times higher activity than individual oils (MIC = 0.5 μL mL(-1)). According to GC-MS, both oils in the mixture were characterized by high content of phenols (48-73%), with carvacrol as the main carrier of antimicrobial activity. Presented in vitro study pointed out binary mixture of S. hortensis and O. vulgare subsp. hirtum essential oils in volume ratio 2:1 as promising candidate for further in vivo studies targeting H. pylori infection. PMID:26686190

  20. Excess molar enthalpies of ternary mixtures for propanone or benzene + aniline + 2-methyl-1-propanol and of binary mixtures for propanone or aniline + 2-methyl-1-propanol at 298.15 K

    SciTech Connect

    Nagata, Isamu; Tamura, Kazuhiro; Miyai, Koichi

    1996-11-01

    Experimental excess molar enthalpies for the ternary mixtures 2-methyl-1-propanol + aniline + propanone and 2-methyl-1-propanol + aniline + benzene and their constituent binary mixtures 2-methyl-1-propanol + aniline and 2-methyl-1-propanol + propanone at the temperature 298.15 K, measured by using an isothermal dilution calorimeter, are reported. The results have been analyzed using a polynomial equation and the UNIQUAC-associated solution model with binary and ternary parameters.

  1. Spatio-temporal fluctuations in immiscible polymeric binary mixtures: towards the realization of a signal/information processing device with hierarchical instabilities

    NASA Astrophysics Data System (ADS)

    Maruyama, Ryota; Asakawa, Naoki

    2014-09-01

    A design of a bio-inspired signal/information processing device and the fabrication of a stochastic delay-derivative element (SDDE) using an immiscible polymer binary mixture of poly(L-lactic acid) with poly(ɛ-caprolactone) are described. A functional aspect of bio-inspired signal/information processing using both analogue electric circuits and numerical simulations are shown. Nano-thin films of polymeric binary mixtures were explored to realize the SDDE.

  2. Studies on intermolecular interaction on binary mixtures of methyl orange-water system: excess molar functions of ultrasonic parameters at different concentrations and at different temperatures.

    PubMed

    Thanuja, B; Kanagam, Charles; Sreedevi, S

    2011-11-01

    Density (ρ), viscosity (η) and ultrasonic velocity (u) of binary mixtures of methyl orange and water were measured at different concentrations and at different temperatures; several useful parameters such as excess volume, excess velocity, and excess adiabatic compressibility have been calculated. These parameters are used to explain the nature of intermolecular interactions taking place in the binary mixture. The above study is helpful in understanding the dye/solvent interaction at different concentration and temperatures. PMID:21596612

  3. Liquid thermal conductivity of binary mixtures of pentafluoroethane (R125) and 1,1,1,2-tetrafluoroethane (R134a)

    SciTech Connect

    Jeong, S.U.; Kim, M.S.; Ro, S.T.

    1999-01-01

    Thermal conductivities of zeotropic mixtures of R125 (CF{sub 3}CHF{sub 2}) and R134a (CF{sub 3}CH{sub 2}F) in the liquid phase are reported. Thermal conductivities have been measured by a transient hot-wire method with one bare platinum wire. Measurements have been carried out in the temperature range of 233 to 323 K and in the pressure range of 2 to 20 MPa. The dependence of thermal conductivity on temperature, pressure, and composition of the binary mixture is presented. Measured thermal conductivity data are correlated as a function of temperature, pressure, and overall composition of the mixture. The uncertainty of the measurements was estimated to be better than 2%.

  4. Optical and thermal studies on viscous lamellar smectic phases in binary mixture of DTAC and ortho-phosphoric acid

    NASA Astrophysics Data System (ADS)

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

    2015-01-01

    The binary mixture of two non-mesogenic compounds, namely, dodecyl trimethylammonium chloride (DTAC) and ortho-phosphoric acid (H3PO4) exhibits very interesting liquid crystalline smectic phases at large range of concentrations and temperature. The mixture with lower and higher concentrations of DTAC exhibits SmA, SmD, SmB and SmE phases, sequentially when the specimen is cooled from its isotropic phase. Different liquid crystalline phases observed in the mixture were studied using optical microscopic techniques. The temperature variations of optical anisotropy and electrical conductivity have also been discussed. Helfrich potential and elastic moduli have also been estimated in the smectic phase using the Helfrich model.

  5. The interaction effects of binary mixtures of benzene and toluene on the developing heart of medaka (Oryzias latipes).

    PubMed

    Teuschler, Linda K; Gennings, Chris; Hartley, William R; Carter, Hans; Thiyagarajah, Arunthavarani; Schoeny, Rita; Cubbison, Chris

    2005-03-01

    The United States Environmental Protection Agency (USEPA) has pursued the estimation of risk of adverse health effects from exposure to chemical mixtures since the early 1980s. Methods used to calculate risk estimates of mixtures were often based on single chemical information that required assumptions of dose-addition or response-addition and did not consider possible changes in response due to interaction effects among chemicals. Full factorial designs for laboratory studies can produce interactions information, but these are expensive to perform and may not provide the information needed to evaluate specific environmentally relevant mixtures. In this research, groups of Japanese medaka (Oryzias latipes) embryos were exposed to binary mixtures of benzene and toluene as well as to each of these chemicals alone. Endpoint specific dose-response models were built for the hydrocarbon mixture under an assumption of dose-additivity, using the single chemical dose-response information on benzene and toluene. The endpoints included heart rate, heart rate progression, and lethality. Results included a synergistic response for heart rate at 72 h of development, and either additivity or antagonism for all other endpoints at 96 h of development. This work uses an established statistical method to evaluate the toxicity of an environmentally relevant mixture to ascertain whether interaction effects are occurring, thus providing additional information on toxicity. PMID:15667848

  6. 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

  7. Differentiation of Chemical Components in a Binary Solvent Vapor Mixture Using Carbon/Polymer Composite-Based Chemiresistors

    SciTech Connect

    Patel, Sanjay V.; Jenkins, Mark W.; Hughes, Robert C.; Yelton, W. Graham; Ricco, Antonio J.

    1999-07-19

    We demonstrate a ''universal solvent sensor'' constructed from a small array of carbon/polymer composite chemiresistors that respond to solvents spanning a wide range of Hildebrand volubility parameters. Conductive carbon particles provide electrical continuity in these composite films. When the polymer matrix absorbs solvent vapors, the composite film swells, the average separation between carbon particles increases, and an increase in film resistance results, as some of the conduction pathways are broken. The adverse effects of contact resistance at high solvent concentrations are reported. Solvent vapors including isooctane, ethanol, dlisopropyhnethylphosphonate (DIMP), and water are correctly identified (''classified'') using three chemiresistors, their composite coatings chosen to span the full range of volubility parameters. With the same three sensors, binary mixtures of solvent vapor and water vapor are correctly classified, following classification, two sensors suffice to determine the concentrations of both vapor components. Polyethylene vinylacetate and polyvinyl alcohol (PVA) are two such polymers that are used to classify binary mixtures of DIMP with water vapor; the PVA/carbon-particle-composite films are sensitive to less than 0.25{degree}A relative humidity. The Sandia-developed VERI (Visual-Empirical Region of Influence) technique is used as a method of pattern recognition to classify the solvents and mixtures and to distinguish them from water vapor. In many cases, the response of a given composite sensing film to a binary mixture deviates significantly from the sum of the responses to the isolated vapor components at the same concentrations. While these nonlinearities pose significant difficulty for (primarily) linear methods such as principal components analysis, VERI handles both linear and nonlinear data with equal ease. In the present study the maximum speciation accuracy is achieved by an array containing three or four sensor elements, with

  8. Binary mixtures of diclofenac with paracetamol, ibuprofen, naproxen, and acetylsalicylic acid and these pharmaceuticals in isolated form induce oxidative stress on Hyalella azteca.

    PubMed

    Gómez-Oliván, Leobardo Manuel; Neri-Cruz, Nadia; Galar-Martínez, Marcela; Islas-Flores, Hariz; García-Medina, Sandra

    2014-11-01

    Toxicity in natural ecosystems is usually not due to exposure to a single substance, but is rather the result of exposure to mixtures of toxic substances. Knowing the effects of contaminants as a mixture compared to their effects in isolated form is therefore important. This study aimed to evaluate the oxidative stress induced by binary mixtures of diclofenac with paracetamol, ibuprofen, naproxen, and acetylsalicylic acid and by these nonsteroidal anti-inflammatory drugs (NSAIDs) in isolated form, using Hyalella azteca as a bioindicator. The median lethal concentration (LC50) and the lowest observed adverse effect level (LOAEL) of each NSAID were obtained. Amphipods were exposed for 72 h to the latter value in isolated form and as binary mixtures. The following biomarkers were evaluated: lipid peroxidation (LPX), protein carbonyl content (PCC), and activity of the antioxidant enzymes: superoxide dismutase (SOD), catalase (CAT), and glutathione peroxidase (GPx). Significant increases in LPX and PCC with respect to the control group (p ≤ 0.05) were induced by NSAIDs both in isolated form and as binary mixtures. Changes in SOD, CAT, and GPx activity likewise occurred with NSAIDs in isolated form and as binary mixtures. In conclusion, NSAIDs used in this study induce oxidative stress on H. azteca both in isolated form and as binary mixtures, and the interactions occurring between these pharmaceuticals are probably antagonistic in type. PMID:25004860

  9. Competitive adsorption of a binary CO2-CH4 mixture in nanoporous carbons: effects of edge-functionalization

    NASA Astrophysics Data System (ADS)

    Lu, Xiaoqing; Jin, Dongliang; Wei, Shuxian; Zhang, Mingmin; Zhu, Qing; Shi, Xiaofan; Deng, Zhigang; Guo, Wenyue; Shen, Wenzhong

    2014-12-01

    The effect of edge-functionalization on the competitive adsorption of a binary CO2-CH4 mixture in nanoporous carbons (NPCs) has been investigated for the first time by combining density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulation. Our results show that edge-functionalization has a more positive effect on the single-component adsorption of CO2 than CH4, therefore significantly enhancing the selectivity of CO2 over CH4, in the order of NH2-NPC > COOH-NPC > OH-NPC > H-NPC > NPC at low pressure. The enhanced adsorption originates essentially from the effects of (1) the conducive environment with a large pore size and an effective accessible surface area, (2) the high electronegativity/electropositivity, (3) the strong adsorption energy, and (4) the large electrostatic contribution, due to the inductive effect/direct interaction of the embedded edge-functionalized groups. The larger difference from these effects results in the higher competitive adsorption advantage of CO2 in the binary CO2-CH4 mixture. Temperature has a negative effect on the gas adsorption, but no obvious influence on the electrostatic contribution on selectivity. With the increase of pressure, the selectivity of CO2 over CH4 first decreases sharply and subsequently flattens out to a constant value. This work highlights the potential of edge-functionalized NPCs in competitive adsorption, capture, and separation for the binary CO2-CH4 mixture, and provides an effective and superior alternative strategy in the design and screening of adsorbent materials for carbon capture and storage.The effect of edge-functionalization on the competitive adsorption of a binary CO2-CH4 mixture in nanoporous carbons (NPCs) has been investigated for the first time by combining density functional theory (DFT) and grand canonical Monte Carlo (GCMC) simulation. Our results show that edge-functionalization has a more positive effect on the single-component adsorption of CO2 than CH4, therefore

  10. Physical compatibility of binary and ternary mixtures of morphine and methadone with other drugs for parenteral administration in palliative care.

    PubMed

    Destro, Massimo; Ottolini, Luca; Vicentini, Lorenza; Boschetti, Silvia

    2012-10-01

    The parenteral administration of combinations of drugs is often necessary in palliative medicine, particularly in the terminal stage of life, when patients are no longer able to take medication orally. The use of infusers to administer continuous subcutaneous infusions is a well-established practice in the palliative care setting and enables several drugs to be given simultaneously, avoiding the need for repeated administrations and the effects of peaks and troughs in the doses of medication. The method is also appreciated by patients and caregivers in the home care setting because the devices and infusion sites are easy to manage. Despite their frequent use, however, the mixtures of drugs adopted in clinical practice are sometimes not supported by reliable data concerning their chemical and physical compatibility. The present study investigates the chemical compatibility of binary mixtures (morphine with ketorolac) and the physical compatibility of binary (morphine or methadone with ketorolac) or ternary mixtures (morphine with ketorolac and/or haloperidol, and/or dexamethasone, and/or metoclopramide, and/or hyoscine butylbromide) with a view to reducing the aleatory nature of the empirical use of such combinations, thereby increasing their safety and clinical appropriateness. PMID:22252547

  11. On a modified Monte-Carlo method and variable soft sphere model for rarefied binary gas mixture flow simulation

    NASA Astrophysics Data System (ADS)

    Nourazar, S. S.; Jahangiri, P.; Aboutalebi, A.; Ganjaei, A. A.; Nourazar, M.; Khadem, J.

    2011-06-01

    The effect of new terms in the improved algorithm, the modified direct simulation Monte-Carlo (MDSMC) method, is investigated by simulating a rarefied binary gas mixture flow inside a rotating cylinder. Dalton law for the partial pressures contributed by each species of the binary gas mixture is incorporated into our simulation using the MDSMC method and the direct simulation Monte-Carlo (DSMC) method. Moreover, the effect of the exponent of the cosine of deflection angle (α) in the inter-molecular collision models, the variable soft sphere (VSS) and the variable hard sphere (VHS), is investigated in our simulation. The improvement of the results of simulation is pronounced using the MDSMC method when compared with the results of the DSMC method. The results of simulation using the VSS model show some improvements on the result of simulation for the mixture temperature at radial distances close to the cylinder wall where the temperature reaches the maximum value when compared with the results using the VHS model.

  12. Effective ionization coefficients and transport parameters in binary and ultradilute SF6-Ar mixtures using Boltzmann equation analysis

    NASA Astrophysics Data System (ADS)

    Cekmen, Z. C.; Dincer, M. S.

    2009-07-01

    The effective ionization coefficients and transport parameters such as electron mean energy drift velocity and transverse diffusion coefficient in binary and ultradilute SF6-Ar gas mixtures have been calculated for density reduced electric field strength E/N values from 10 to 400 Td. These calculations have been performed by using the two-term spherical harmonic expansion to obtain the numerical solution of the Boltzmann transport equation based on the finite element method under steady-state Townsend condition. In order to confirm the model and code developed in this study, the Reid ramp model has been used as a benchmark test and then effective ionization coefficients and transport parameters have been evaluated for SF6 contents of 1%, 10%, 25%, 50%, 70% and 100% in the binary mixture. Finally SF6 contents in the ultradilute mixtures of 0.1%, 0.3%, 0.5% and 0.7% are taken into account with the evaluated effective ionizations and transport parameters of electron mean energy, drift velocity and transverse diffusion coefficients.

  13. Solubility of anthracene in binary alkane + methyl tert-butyl ether solvent mixtures at 298.15 K

    SciTech Connect

    McHale, M.E.R.; Kauppila, A.S.M.; Acree, W.E. Jr.

    1996-09-01

    Experimental solubilities are reported for anthracene dissolved in seven binary mixtures containing methyl tert-butyl ether (also called 2-methoxy-2-methylpropane) with hexane, heptane, octane, cyclohexane, methylcyclohexane, 2,2,4-trimethylpentane, and tert-butylcyclohexane (also called (1,1-dimethylethyl)-cyclohexane) at 25 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 seven systems studied, both equations were found to provide an accurate mathematical representation of the experimental data, with an overall average absolute deviation between measured and calculated values being on the order of 0.5%.

  14. On the determinatino of high-pressure mass-diffusion coefficients for binary mixtures

    NASA Technical Reports Server (NTRS)

    Bellan, J.; Harstad, K.

    2003-01-01

    A model for high-pressure binary diffusion coefficient calculation is proposed based on considerations originating from recasting both the low pressure kinetic theory and the Stokes-Einstein infinite dilution expressions into forms consistent with corresponding states theory.

  15. 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.

  16. 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

  17. Physico-chemical properties of binary mixtures of aliphatic and aromatic solvents at 313 K on acoustical data

    NASA Astrophysics Data System (ADS)

    Dahire, S. L.; Morey, Y. C.; Agrawal, P. S.

    2015-12-01

    Density (ρ), viscosity (η), and ultrasonic velocity ( U) of binary mixtures of aliphatic solvents like dimethylformamide (DMF) and dimethylsulfoxide (DMSO) with aromatic solvents viz. chlorobenzene (CB), bromobenzene (BB), and nitrobenzene (NB) have been determined at 313 K. These parameters were used to calculate the adiabatic compressibility (β), intermolecular free length ( L f), molar volume ( V m), and acoustic impedance ( Z). From the experimental data excess molar volume ( V m E ), excess intermolecular free length ( L f E )), excess adiabatic compressibility (βE), and excess acoustic impedance ( Z E) have been computed. The excess values were correlated using Redlich-Kister polynomial equation to obtain their coefficients and standard deviations (σ).

  18. Pattern evolution caused by dynamic coupling between wetting and phase separation in binary liquid mixture containing glass particles

    NASA Astrophysics Data System (ADS)

    Tanaka, Hajime; Lovinger, Andew J.; Davis, Don D.

    1994-04-01

    We demonstrate here that the pattern evolution in a binary liquid mixture containing glass spheres is strongly affected by the dynamic coupling between phase separation and wetting. Because of the difference in the wettability to glass between the two phases, the glass particles are preferentially included in the more wettable phase. The resulting pattern is strongly dependent on whether the spheres are mobile or immobile. For a high density of mobile particles, we find that an initially random pattern of spheres transforms into an ordered pattern because of geometrical confinement of particles into the more wettable phase.

  19. 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

  20. Experimental determination and prediction of (solid+liquid) phase equilibria for binary mixtures of heavy alkanes and fatty acids

    NASA Astrophysics Data System (ADS)

    Benziane, Mokhtar; Khimeche, Kamel; Dahmani, Abdellah; Nezar, Sawsen; Trache, Djalal

    2012-06-01

    Solid-liquid equilibria for three binary mixtures, n-Eicosane (1) + Lauric acid (2), n-Tetracosane (1) + Stearic acid (2), and n-Octacosane (1) + Palmitic acid (2), were measured using a differential scanning calorimeter. Simple eutectic behaviour was observed for these systems. The experimental results were correlated by means of the modified UNIFAC (Larsen and Gmehling versions), UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.26 to 3.15 K and depend on the particular model used. The best solubility correlation was obtained with the UNIQUAC model.

  1. Multiphase Binary Mixture Flows in Porous Media in a Wide Pressure and Temperature Range Including Critical Conditions

    NASA Astrophysics Data System (ADS)

    Afanasyev, A.

    2011-12-01

    Multiphase flows in porous media with a transition between sub- and supercritical thermodynamic conditions occur in many natural and technological processes (e.g. in deep regions of geothermal reservoirs where temperature reaches critical point of water or in gas-condensate fields where subject to critical conditions retrograde condensation occurs and even in underground carbon dioxide sequestration processes at high formation pressure). Simulation of these processes is complicated due to degeneration of conservation laws under critical conditions and requires non-classical mathematical models and methods. A new mathematical model is proposed for efficient simulation of binary mixture flows in a wide range of pressures and temperatures that includes critical conditions. The distinctive feature of the model lies in the methodology for mixture properties determination. Transport equations and Darcy law are solved together with calculation of the entropy maximum that is reached in thermodynamic equilibrium and determines mixture composition. To define and solve the problem only one function - mixture thermodynamic potential - is required. Such approach allows determination not only single-phase states and two-phase states of liquid-gas type as in classical models but also two-phase states of liquid-liquid type and three-phase states. The proposed mixture model was implemented in MUFITS (Multiphase Filtration Transport Simulator) code for hydrodynamic simulations. As opposed to classical approaches pressure, enthalpy and composition variables together with fully implicit method and cascade procedure are used. The code is capable of unstructured grids, heterogeneous porous media, relative permeability and capillary pressure dependence on temperature and pressure, multiphase diffusion, optional number of sink and sources, etc. There is an additional module for mixture properties specification. The starting point for the simulation is a cubic equation of state that is

  2. Measurement and modeling of the toxicity of binary mixtures in the nematode caenorhabditis elegans--a test of independent action.

    PubMed

    Martin, Heather L; Svendsen, Claus; Lister, Lindsay J; Gomez-Eyles, Jose L; Spurgeon, David J

    2009-01-01

    Ecological risk assessments must increasingly consider the effects of chemical mixtures on the environment as anthropogenic pollution continues to grow in complexity. Yet testing every possible mixture combination is impractical and unfeasible; thus, there is an urgent need for models that can accurately predict mixture toxicity from single-compound data. Currently, two models are frequently used to predict mixture toxicity from single-compound data: Concentration addition and independent action (IA). The accuracy of the predictions generated by these models is currently debated and needs to be resolved before their use in risk assessments can be fully justified. The present study addresses this issue by determining whether the IA model adequately described the toxicity of binary mixtures of five pesticides and other environmental contaminants (cadmium, chlorpyrifos, diuron, nickel, and prochloraz) each with dissimilar modes of action on the reproduction of the nematode Caenorhabditis elegans. In three out of 10 cases, the IA model failed to describe mixture toxicity adequately with significant or antagonism being observed. In a further three cases, there was an indication of synergy, antagonism, and effect-level-dependent deviations, respectively, but these were not statistically significant. The extent of the significant deviations that were found varied, but all were such that the predicted percentage effect seen on reproductive output would have been wrong by 18 to 35% (i.e., the effect concentration expected to cause a 50% effect led to an 85% effect). The presence of such a high number and variety of deviations has important implications for the use of existing mixture toxicity models for risk assessments, especially where all or part of the deviation is synergistic. PMID:18700808

  3. Gibb's energy and intermolecular free length of 'Borassus Flabellifier' (BF) and Adansonia digitata (AnD) aqueous binary mixture

    NASA Astrophysics Data System (ADS)

    Phadke, Sushil; Darshan Shrivastava, Bhakt; Ujle, S. K.; Mishra, Ashutosh; Dagaonkar, N.

    2014-09-01

    One of the potential driving forces behind a chemical reaction is favourable a new quantity known as the Gibbs free energy (G) of the system, which reflects the balance between these forces. Ultrasonic velocity and absorption measurements in liquids and liquid mixtures find extensive application to study the nature of intermolecular forces. Ultrasonic velocity measurements have been successfully employed to detect weak and strong molecular interactions present in binary and ternary liquid mixtures. After measuring the density and ultrasonic velocity of aqueous solution of 'Borassus Flabellifier' BF and Adansonia digitata And, we calculated Gibb's energy and intermolecular free length. The velocity of ultrasonic waves was measured, using a multi-frequency ultrasonic interferometer with a high degree of accuracy operating Model M-84 by M/s Mittal Enterprises, New Delhi, at a fixed frequency of 2MHz. Natural sample 'Borassus Flabellifier' BF fruit pulp and Adansonia digitata AnD powder was collected from Dhar, District of MP, India for this study.

  4. Coarse-grained modelling of triglyceride crystallisation: a molecular insight into tripalmitin tristearin binary mixtures by molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Pizzirusso, Antonio; Brasiello, Antonio; De Nicola, Antonio; Marangoni, Alejandro G.; Milano, Giuseppe

    2015-12-01

    The first simulation study of the crystallisation of a binary mixture of triglycerides using molecular dynamics simulations is reported. Coarse-grained models of tristearin (SSS) and tripalmitin (PPP) molecules have been considered. The models have been preliminarily tested in the crystallisation of pure SSS and PPP systems. Two different quenching procedures have been tested and their performances have been analysed. The structures obtained from the crystallisation procedures show a high orientation order and a high content of molecules in the tuning fork conformation, comparable with the crystalline α phase. The behaviour of melting temperatures for the α phase of the mixture SSS/PPP obtained from the simulations is in qualitative agreement with the behaviour that was experimentally determined.

  5. Concentration and mass dependence of transport coefficients and correlation functions in binary mixtures with high mass asymmetry.

    PubMed

    Fenz, W; Mryglod, I M; Prytula, O; Folk, R

    2009-08-01

    Correlation functions and transport coefficients of self-diffusion and shear viscosity of a binary Lennard-Jones mixture with components differing only in their particle mass are studied up to high values of the mass ratio mu, including the limiting case mu = infinity, for different mole fractions x. Within a large range of x and mu the product of the diffusion coefficient of the heavy species D(2) and the total shear viscosity of the mixture eta(m) is found to remain constant, obeying a generalized Stokes-Einstein relation. At high liquid density, large mass ratios lead to a pronounced cage effect that is observable in the mean square displacement, the velocity autocorrelation function, and the van Hove correlation function. PMID:19792112

  6. Densities, Viscosities, Sound Speeds, Refractive Indices, and Excess Properties of Binary Mixtures of Isoamyl Alcohol with Some Alkoxyethanols

    NASA Astrophysics Data System (ADS)

    Roy, Mahendra Nath; Sah, Radhey Shyam; Pradhan, Prasanna

    2010-02-01

    Densities and viscosities were measured for binary mixtures of isoamyl alcohol with 2-methoxyethanol, 2-ethoxyethanol, and 2-butoxyethanol over the entire range of composition at 303.15 K, 313.15 K, and 323.15K and ultrasonic speeds and refractive indices at 303.15 K under atmospheric pressure. From the experimental values of density, viscosity, ultrasonic speed, and refractive index, the values of excess molar volume ( V E), viscosity deviations (Δ η), deviations in isentropic compressibility (Δ K S ), and excess molar refraction (Δ R) have been calculated. The excess or deviation properties were found to be either negative or positive, depending on the molecular interactions and the nature of liquid mixtures.

  7. Concentration and mass dependence of transport coefficients and correlation functions in binary mixtures with high mass asymmetry

    NASA Astrophysics Data System (ADS)

    Fenz, W.; Mryglod, I. M.; Prytula, O.; Folk, R.

    2009-08-01

    Correlation functions and transport coefficients of self-diffusion and shear viscosity of a binary Lennard-Jones mixture with components differing only in their particle mass are studied up to high values of the mass ratio μ , including the limiting case μ=∞ , for different mole fractions x . Within a large range of x and μ the product of the diffusion coefficient of the heavy species D2 and the total shear viscosity of the mixture ηm is found to remain constant, obeying a generalized Stokes-Einstein relation. At high liquid density, large mass ratios lead to a pronounced cage effect that is observable in the mean square displacement, the velocity autocorrelation function, and the van Hove correlation function.

  8. Different signal processing techniques of ratio spectra for spectrophotometric resolution of binary mixture of bisoprolol and hydrochlorothiazide; a comparative study.

    PubMed

    Elzanfaly, Eman S; Hassan, Said A; Salem, Maissa Y; El-Zeany, Badr A

    2015-04-01

    Five signal processing techniques were applied to ratio spectra for quantitative determination of bisoprolol (BIS) and hydrochlorothiazide (HCT) in their binary mixture. The proposed techniques are Numerical Differentiation of Ratio Spectra (ND-RS), Savitsky-Golay of Ratio Spectra (SG-RS), Continuous Wavelet Transform of Ratio Spectra (CWT-RS), Mean Centering of Ratio Spectra (MC-RS) and Discrete Fourier Transform of Ratio Spectra (DFT-RS). The linearity of the proposed methods was investigated in the range of 2-40 and 1-22 μg/mL for BIS and HCT, respectively. The proposed methods were applied successfully for the determination of the drugs in laboratory prepared mixtures and in commercial pharmaceutical preparations and standard deviation was less than 1.5. The five signal processing techniques were compared to each other and validated according to the ICH guidelines and accuracy, precision, repeatability and robustness were found to be within the acceptable limit. PMID:25615684

  9. Comparative study of novel versus conventional two-wavelength spectrophotometric methods for analysis of spectrally overlapping binary mixture

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam M.; Hegazy, Maha A.; Rezk, Mamdouh R.; Omran, Yasmin Rostom

    2015-09-01

    Smart spectrophotometric methods have been applied and validated for the simultaneous determination of a binary mixture of chloramphenicol (CPL) and prednisolone acetate (PA) without preliminary separation. Two novel methods have been developed; the first method depends upon advanced absorbance subtraction (AAS), while the other method relies on advanced amplitude modulation (AAM); in addition to the well established dual wavelength (DW), ratio difference (RD) and constant center coupled with spectrum subtraction (CC-SS) methods. Accuracy, precision and linearity ranges of these methods were determined. Moreover, selectivity was assessed by analyzing synthetic mixtures of both drugs. The proposed methods were successfully applied to the assay of drugs in their pharmaceutical formulations. No interference was observed from common additives and the validity of the methods was tested. The obtained results have been statistically compared to that of official spectrophotometric methods to give a conclusion that there is no significant difference between the proposed methods and the official ones with respect to accuracy and precision.

  10. Different signal processing techniques of ratio spectra for spectrophotometric resolution of binary mixture of bisoprolol and hydrochlorothiazide; a comparative study

    NASA Astrophysics Data System (ADS)

    Elzanfaly, Eman S.; Hassan, Said A.; Salem, Maissa Y.; El-Zeany, Badr A.

    2015-04-01

    Five signal processing techniques were applied to ratio spectra for quantitative determination of bisoprolol (BIS) and hydrochlorothiazide (HCT) in their binary mixture. The proposed techniques are Numerical Differentiation of Ratio Spectra (ND-RS), Savitsky-Golay of Ratio Spectra (SG-RS), Continuous Wavelet Transform of Ratio Spectra (CWT-RS), Mean Centering of Ratio Spectra (MC-RS) and Discrete Fourier Transform of Ratio Spectra (DFT-RS). The linearity of the proposed methods was investigated in the range of 2-40 and 1-22 μg/mL for BIS and HCT, respectively. The proposed methods were applied successfully for the determination of the drugs in laboratory prepared mixtures and in commercial pharmaceutical preparations and standard deviation was less than 1.5. The five signal processing techniques were compared to each other and validated according to the ICH guidelines and accuracy, precision, repeatability and robustness were found to be within the acceptable limit.

  11. A theoretical and experimental chemist's joint view on hydrogen bonding in ionic liquids and their binary mixtures.

    PubMed

    Stark, Annegret; Brehm, Martin; Brüssel, Marc; Lehmann, Sebastian B C; Pensado, Alfonso S; Schöppke, Matthias; Kirchner, Barbara

    2014-01-01

    A combined experimental and theoretical approach including quantum chemistry tools and computational simulation techniques can provide a holistic description of the nature of the interactions present in ionic liquid media. The nature of hydrogen bonding in ionic liquids is an especially intriguing aspect, and it is affected by all types of interactions occurring in this media. Overall, these interactions represent a delicate balance of forces that influence the structure and dynamics, and hence the properties of ionic liquids. An understanding of the fundamental principles can be achieved only by a combination of computations and experimental work. In this contribution we show recent results shedding light on the nature of hydrogen bonding, for certain cases the formation of a three-dimensional network of hydrogen bonding, and its dynamics by comparing 1-ethyl-3-methylimidazolium based acetate, chloride and thiocyanate ionic liquids.A particularly interesting case to study hydrogen bonding and other interactions is the investigation of binary mixtures of ionic liquids of the type [cation1][anion1]/[cation1][anion2]. In these mixtures, competing interactions are to be expected. We present both a thorough property meta-analysis of the literature and new data covering a wide range of anions, i.e., mixtures of 1-ethyl-3-methylimidazolium acetate with either trifluoroacetate, tetrafluoroborate, methanesulfonate, or bis(trifluoromethanesulfonyl)imide. In most cases, ideal mixing behavior is found, a surprising result considering the multitude of interactions present. However, ideal mixing behavior allows for the prediction of properties such as density, refractive index, surface tension, and, in most cases, viscosity as function of molar composition. Furthermore, we show that the prediction of properties such as the density of binary ionic liquid mixtures is possible by making use of group contribution methods which were originally developed for less complex non

  12. Scaling between relaxation, transport and caged dynamics in a binary mixture on a per-component basis.

    PubMed

    Puosi, F; De Michele, C; Leporini, D

    2013-03-28

    The universal scaling between the average slow relaxation/transport and the average picosecond rattling motion inside the cage of the first neighbors has been evidenced in a variety of numerical simulations and experiments. Here, we first show that the scaling does not need information concerning the arbitrarily-defined glass transition region and relies on a single characteristic length scale a(2)(1/2) which is determined even far from that region. This prompts the definition of a novel reduced rattling amplitude (1/2) which has been investigated by extensive molecular-dynamics simulations addressing the slow relaxation, the diffusivity, and the fast cage-dynamics of both components of an atomic binary mixture. States with different potential, density, and temperature are considered. It is found that if two states exhibit coinciding incoherent van Hove function on the picosecond timescale, the coincidence is observed at long times too, including the large-distance exponential decay--a signature of heterogeneous dynamics--observed when the relaxation is slow. A major result of the present study is that the correlation plot between the diffusivity of the two components of the binary mixtures and their respective reduced rattling amplitude collapse on the same master curve. This holds true also for the structural relaxation of the two components and the unique master curve coincides with the one of the average scaling. It is shown that the breakdown of the Stokes-Einstein law exhibited by the distinct atomic species of the mixture and the monomers of a chain in a polymer melt is predicted at the same reduced rattling amplitude. Finally, we evidence that the well-known temperature/density thermodynamic scaling of the transport and the relaxation of the mixture is still valid on the picosecond timescale of the rattling motion inside the cage. This provides a link between the fast dynamics and the thermodynamic scaling of the slow dynamics. PMID:23556783

  13. Kinematic Viscosity and Density of Binary and Ternary Mixtures Containing Hydrocolloids, Sodium Chloride, and Water

    NASA Astrophysics Data System (ADS)

    Assis, Tassia F.; Rojas, Edwin E. Garcia; Guimarães, Guilherme C.; Coelho, Marcos C.; Ramos, Andresa V.; Costa, Bernardo S.; Coimbra, Jane S. R.

    2010-03-01

    The kinematic viscosity and density of binary aqueous solutions containing xanthan gum and ternary aqueous solutions containing carboxymethyl cellulose and sodium chloride have been measured from 303 K to 318 K at different values of pH. The viscosity and density for binary and ternary systems showed increases with a higher concentration of hydrocolloids (xanthan gum or carboxymethyl cellulose) and reductions with increasing temperature. The presence of NaCl in the ternary systems produced an electro-viscous effect that influenced the viscosity and density of the system. The models used to predict the viscosity, density, and apparent specific volume demonstrated satisfactory results in comparisons with experimental data.

  14. Correlating solvent dynamics and chemical reaction rates using binary solvent mixtures and two-dimensional infrared spectroscopy

    NASA Astrophysics Data System (ADS)

    Jones, Brynna H.; Huber, Christopher J.; Spector, Ivan C.; Tabet, Anthony M.; Butler, RiAnna L.; Hang, Ying; Massari, Aaron M.

    2015-06-01

    Two-dimensional infrared (2D-IR) spectroscopy was performed on Vaska's complex (VC) and its oxygen adduct (V C-O2) in binary solvent mixtures of chloroform or benzyl alcohol in d6-benzene. The second order rate constants for oxygenation were also measured in these solvent mixtures. The rate constant in chloroform mixtures is linear with mole fraction within the error of the measurements but changes nonlinearly in benzyl alcohol mixtures, displaying a preference for the alcohol over benzene. The rate constants were compared with FTIR spectra of the carbonyl ligand and the frequency-frequency correlation function of this mode determined by 2D-IR. The line shape broadening mechanisms of the linear spectra of the CO bound to VC and V C-O2 are similar to those previously reported for V C-I2. There is a particularly strong correlation between rate constants and homogeneous linewidths of the carbonyl vibration on the V C-O2 product state. Concurrently, the FTIR spectra and spectral diffusion observed by 2D-IR corroborate an increase in solvent heterogeneity around the product. We interpret these results in the context of the potential role of solvent dynamics in facilitating chemical reactivity.

  15. Correlating solvent dynamics and chemical reaction rates using binary solvent mixtures and two-dimensional infrared spectroscopy.

    PubMed

    Jones, Brynna H; Huber, Christopher J; Spector, Ivan C; Tabet, Anthony M; Butler, RiAnna L; Hang, Ying; Massari, Aaron M

    2015-06-01

    Two-dimensional infrared (2D-IR) spectroscopy was performed on Vaska's complex (VC) and its oxygen adduct (V C-O2) in binary solvent mixtures of chloroform or benzyl alcohol in d6-benzene. The second order rate constants for oxygenation were also measured in these solvent mixtures. The rate constant in chloroform mixtures is linear with mole fraction within the error of the measurements but changes nonlinearly in benzyl alcohol mixtures, displaying a preference for the alcohol over benzene. The rate constants were compared with FTIR spectra of the carbonyl ligand and the frequency-frequency correlation function of this mode determined by 2D-IR. The line shape broadening mechanisms of the linear spectra of the CO bound to VC and V C-O2 are similar to those previously reported for V C-I2. There is a particularly strong correlation between rate constants and homogeneous linewidths of the carbonyl vibration on the V C-O2 product state. Concurrently, the FTIR spectra and spectral diffusion observed by 2D-IR corroborate an increase in solvent heterogeneity around the product. We interpret these results in the context of the potential role of solvent dynamics in facilitating chemical reactivity. PMID:26049461

  16. Shock Hugoniot equations of state for binary water-alcohol liquid mixtures

    NASA Astrophysics Data System (ADS)

    Moore, David; Bolme, Cynthia; Brown, Kathryn; McGrane, Shawn; Schulze, Peter

    2015-06-01

    Shock Hugoniot data were obtained using laser generated shock and ultrafast dynamic ellipsometry (UDE) methods for several non-ideal water-alcohol liquid mixtures, using methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and t-butanol (a.k.a., 2-methyl-2-propanol or tert-butanol). The sound speeds of the mixtures were obtained using Brillouin scattering when not available in the literature. The shock and particle velocities obtained from the UDE data were compared to expectations of the universal liquid Hugoniot (ULH) and to literature shock (plate impact) data where available. The shock Hugoniot trends for all these mixtures, represented as deviations from predictions of the ULH, versus fraction of alcohol are quite similar to each other and suggest that complex hydrogen bonding networks in water-alcohol mixtures alter the compressibility of the mixtures. Data and trends will be presented. LA-UR-15-20328.

  17. Paranematic-to-nematic ordering of a binary mixture of rodlike liquid crystals confined in cylindrical nanochannels.

    PubMed

    Całus, Sylwia; Jabłońska, Beata; Busch, Mark; Rau, Daniel; Huber, Patrick; Kityk, Andriy V

    2014-06-01

    We explore the optical birefringence of the nematic binary mixtures 6CB_{1-x}7CB_{x} (0 ≤ x ≤ 1) embedded into parallel-aligned nanochannels of mesoporous alumina and silica membranes for channel radii of 3.4 ≤ R ≤ 21.0 nm. The results are compared with the bulk behavior and analyzed with a Landau-de Gennes model. Depending on the channel radius the nematic ordering in the cylindrical nanochannels evolves either discontinuously (subcritical regime, nematic ordering field σ<1/2) or continuously (overcritical regime, σ>1/2), but in both cases with a characteristic paranematic precursor behavior. The strength of the ordering field, imposed by the channel walls, and the magnitude of quenched disorder varies linearly with the mole fraction x and scales inversely proportionally with R for channel radii larger than 4 nm. The critical pore radius, R_{c}, separating a continuous from a discontinuous paranematic-to-nematic evolution varies linearly with x and differs negligibly between the silica and alumina membranes. We find no hints of preferred adsorption of one species at the channels walls. By contrast, a linear variation of the nematic-to-paranematic transition point T_{PN} and of the nematic ordering field σ versus x suggests that the binary mixtures of cyanobiphenyls 6CB and 7CB keep their homogeneous bulk stoichiometry also in nanoconfinement, at least for channel diameters larger than ∼7 nm. PMID:25019799

  18. A numerical simulation of the solidification process of a binary mixture in a V-shaped enclosure

    SciTech Connect

    Jones, W.K. Jr.; DeZego, S.E.; Dong, Z.F.; Ebadian, M.A.

    1996-12-31

    A numerical study of the solidification process in a V-shaped sump has been conducted for a binary mixture. This geometry is of particular interest as it simulates the limiting cases of the physical domain of the molten metal in the direct chill (DC) continuous casting process. Solutions were obtained by solving a two-phase set of conservation equations of mass, momentum, energy, and species in a polar coordinate system. The necessary interfacial terms for the two-phase model are discussed. A non-uniform grid, biased at the point discontinuity, was chosen for the calculations to improve the stability of the numerical procedure. The binary mixture studied was a eutectic forming aluminum-copper (Al-Cu) alloy. Two limiting cases of sump angle (8{degree} and 16{degree}) were simulated to gain insight into the influence of geometric effects on the final cast properties. The effects of melt convection and solid movement are also discussed as contributing factors to the segregation patterns. The results of the study showed the angle of the enclosure greatly affected the developing negative segregation bands in the mushy region. Furthermore, the original negative-segregated mushy zone gradually developed into a positively-segregated region throughout the solid area.

  19. Application of the UNIFAC model for prediction of surface tension and thickness of the surface layer in the binary mixtures.

    PubMed

    Rafati, A A; Bagheri, A; Khanchi, A R; Ghasemian, E; Najafi, Mojgan

    2011-03-01

    Surface properties of binary mixtures of (alkanol with acetonitrile) have been measured by surface tension method at T=298.15 K and atmospheric pressure. The UNIFAC method is used for calculation activity coefficients of surface and bulk phases. Also, the surface tension has been predicted based on the Suarez method. This method combines a model for the description of surface tension of liquid mixtures with a UNIFAC group contribution method for the calculation of activity coefficient. Two techniques for calculation of molar surface areas, based on Paquette areas and Rasmussen areas are tested. On comparing the computed values of surface tension by the present approaches with experimental data, satisfactory results have been observed. In addition, the relative Gibbs adsorption and the surface mole fraction have been evaluated using this model. It is possible to calculate the thickness of liquid-vapor interfaces starting from surface tension data. A novel procedure is developed to obtain the thickness of liquid-vapor interfaces as a function of composition in binary systems. PMID:21190694

  20. Critical concentration fluctuations of the ionic binary mixture ethylammonium nitrate-n-octanol: an ultrasonic spectrometry study.

    PubMed

    Mirzaev, S Z; Kaatze, U

    2002-02-01

    Between 200 kHz and 130 MHz, the ultrasonic attenuation spectrum of the ionic ethylammonium nitrate--n-octanol mixture of critical composition has been measured at various reduced temperatures (1.5 x 10(-4)binary system ethanol--dodecane and with the theoretical predictions of the Bhattacharjee-Ferrell dynamic scaling model is found. The amplitude of the fluctuation correlation length xi(o) (=0.47 nm) and the amount of the coupling constant /g/ (=1.3) are rather high as compared to nonionic binary critical mixtures. The amplitude of the relaxation rate of order parameter fluctuations Gamma(o)(=2.6 x 10(8) s(-1)) exhibits an unusual small value, likely to the most part a reflection of the high viscosity and thus small diffusion coefficient of the ionic liquid. PMID:11863532

  1. Activity of binary mixtures of drospirenone with progesterone and 17α-ethinylestradiol in vitro and in vivo.

    PubMed

    Rossier, Nadine Madeleine; Chew, Geraldine; Zhang, Kun; Riva, Francesco; Fent, Karl

    2016-05-01

    Despite potential exposure of aquatic organisms to mixtures of steroid hormones, very little is known on their joint activity in fish. Drospirenone (DRS) is a new synthetic progestin used in contraceptive pills in combination with 17α-ethinylestradiol (EE2). Here we systematically analyzed effects of DRS in binary mixtures with progesterone (P4) and EE2. First, we determined the in vitro activity of single compounds in recombinant yeast assays that express the human progesterone, androgen, or estrogen receptor, followed by determination of mixture activities of DRS and P4, DRS and EE2, as well as medroxyprogesterone acetate (MPA) and dydrogesterone (DDG). Mixtures of DRS and P4, as well as of DRS and EE2 showed additive progestogenic and androgenic activities. However, DDG and MPA showed non-additive progestogenic and androgenic activities. We then analyzed the in vivo activity of single compounds and mixtures of DRS and P4, as well as DRS and EE2, by assessing transcriptional changes of up to 14 selected target genes in zebrafish embryos at 48h post fertilization (hpf), and in eleuthero-embryos at 96hpf and 144hpf. DRS, P4, and EE2 led to significant transcriptional alteration of genes, including those encoding hormone receptors (pgr, esr1), a steroidogenic enzyme (hsd17b3), and estrogenic markers (vtg1, cyp19b), in particular at 144 hpf. In general, DRS showed stronger transcriptional changes than P4. In mixtures of DRS and P4, they were mainly non-additive (antagonistic interaction). In mixtures of DRS and EE2, transcriptional responses of esr1, vtg1 and cyp19b were dominated by EE2, suggesting an antagonistic interaction or independent action. Equi-effective mixtures of DRS and EE2, based on progesterone receptor transcripts, showed antagonistic interactions. Our data suggest that interactions in mixtures assessed in vitro in recombinant yeast cannot be translated to the in vivo situation. The receptor-based responses did not correspond well to the

  2. Proteomic analysis of a model fish species exposed to individual pesticides and a binary mixture

    EPA Science Inventory

    Aquatic organisms are often exposed to multiple pesticides simultaneously. Due to the relatively poor characterization of mixture constituent interactions and the potential for highly complex exposure scenarios, there is considerable uncertainty in understanding the toxicity of m...

  3. Gene Expression Responses in Male Fathead Minnows Exposed to Binary Mixtures of an Estrogen and Antiestrogen

    EPA Science Inventory

    Aquatic organisms are continuously exposed to complex mixtures of chemicals, many of which can interfere with their endocrine system, resulting in impaired reproduction, development or survival, among others. In order to analyze the effects and mechanisms of action of estrogen...

  4. Relative predominance of azo and hydrazone tautomers of 4-carboxyl-2,6-dinitrophenylazohydroxynaphthalenes in binary solvent mixtures

    NASA Astrophysics Data System (ADS)

    Adegoke, Olajire A.

    2011-12-01

    Azo-hydrazone tautomerism is a phenomenon that occurs in azo dyes possessing substituents conjugated to the azo linkage which has labile proton that can be exchanged intramolecularly. Thus the predominance of one tautomer over another is a function of many factors among which are solvent polarity, solvent type, solute-solvent interactions and the structure of the dye molecule itself. The 4-carboxyl-2,6-dinitrophenylazohydroxynaphthalenes, previously shown to exhibit azo-hydrazone tautomerism, were studied for the relative predominance of one form over another based on interaction at the microenvironment of binary solvent mixtures containing DMF and non-hydrogen bonding (CCl 4), hydrogen bond donor (toluene, chloroform), hydrogen bond acceptor (acetonitrile, acetone) and the alcohols; ethanol and methanol as solvent pairs. The three dyes gave two main bands in the 50:50 mixture of DMF with these solvents consisting of a high energy band at 250-382 nm while the low energy bands for the dyes occurred at 415-485 nm. Spectral shifts in the binary solvent mixtures were related to the solvent dipolarity, basicity of the less polar component relative to DMF, substituent type, molar transition energy, formation constant for the hydrogen-bonding solvated complexes and the standard free energy change for hydrogen bonding with DMF. The relative predominance of the hydrazone tautomer bears a direct relationship to the basicity of the solvent, presence of hydrogen bond donor substituent and was associated with high molar transition energies and low formation constant. The microenvironment surrounding the dye molecules played a major role in the stability of one tautomer relative to the other.

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

    NASA Astrophysics Data System (ADS)

    Raabe, Gabriele; Köhler, Jürgen

    2008-10-01

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

  6. Kinetically driven self-assembly of a binary solute mixture with controlled phase separation via electro-hydrodynamic flow of corona discharge.

    PubMed

    Jung, Hee Joon; Huh, June; Park, Cheolmin

    2012-10-21

    This feature article describes a new and facile process to fabricate a variety of thin films of non-volatile binary solute mixtures suitable for high performance organic electronic devices via electro-hydrodynamic flow of conventional corona discharge. Both Corona Discharge Coating (CDC) and a modified version of CDC, Scanning Corona Discharge Coating (SCDC), are based on utilizing directional electric flow, known as corona wind, of the charged uni-polar particles generated by corona discharge between a metallic needle and a bottom plate under a high electric field (5-10 kV cm(-1)). The electric flow rapidly spreads out the binary mixture solution on the bottom plate and subsequently forms a smooth and flat thin film in a large area within a few seconds. In the case of SCDC, the static movement of the bottom electrode on which a binary mixture solution is placed provides further control of thin film formation, giving rise to a film highly uniform over a large area. Interesting phase separation behaviors were observed including nanometer scale phase separation of a polymer-polymer binary mixture and vertical phase separation of a polymer-organic semiconductor mixture. Core-shell type phase separation of either polymer-polymer or polymer-colloidal nanoparticle binary mixtures was also developed with a periodically patterned microstructure when the relative location of the corona wind was controlled to a binary solution droplet on a substrate. We also demonstrate potential applications of thin functional films with controlled microstructures by corona coating to various organic electronic devices such as electroluminescent diodes, field effect transistors and non-volatile polymer memories. PMID:22990240

  7. An experimental setup with ultrasonic gas analyzers and real time analysis of the composition of a binary gas mixture

    NASA Astrophysics Data System (ADS)

    Vacek, V.; Vítek, M.; Doubek, M.

    2013-04-01

    This paper describes an automated measuring apparatus with an ultrasonic gas analyzer and realtime analysis of the composition of the gas. The apparatus is designed for preparing binary gas mixtures and making measurements in a wide range of pressures (from 0.8 bara to 15 bara) and temperatures (between -15°C and 80°C). The apparatus was developed to determine the thermophysical properties of fluorocarbon mixtures for potential use in the cooling circuits of several Large Hadron Collider projects at CERN. The design of its control system took into account the safety and reliability o the gas analyzer, and the need to limit the presence of laboratory personnel. The control system was implemented in PVSS-II, the Supervisory, Control and Data Acquisition standard chosen for LHC and its experiments at CERN. The second part of the paper describes the implementation and verification of the algorithm for continuous real-time determination of the composition of the refrigerant mixture. The algorithm is based on minimizing the quadratic norm fromthe measured data and from the pre-generated look-up tables acquired from the NIST REFPROP software package.

  8. Densities and excess molar volumes of binary mixtures containing propylene carbonate + chlorohydrocarbons at 298.15 K and atmospheric pressure

    SciTech Connect

    Comelli, F.; Francesconi, R.

    1995-11-01

    Densities and excess molar volumes, V{sub m}{sup E}, for binary mixtures containing propylene carbonate + 10 chlorohydrocarbons (dichloromethane, 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobuthane, 1,6-dichlorohexane, 1,10-dichlorodecane, 1,1,1-trichloroethane, 1,1,2,2-tetrachloroethane, trans-1,2-dichloroethene, and trichloroethene) have been measured at 298.15 K and at atmospheric pressure using an Anton Paar digital vibrating tube density meter. The results are fitted to the Redlich-Kister equation. The values of V{sub m}{sup E} for the mixtures containing dichloroalkanes show an increasing trend with the increase of the chain length and vary from a minimum of {minus}0.24 cm{sup 3}/mol for dichloromethane up to a maximum of +0.31 cm{sup 3}/mol for 1,10-dichlorodecane. The excess molar volumes for the other mixtures are negative over the entire range of composition. Results are qualitatively discussed in terms of molecular interactions.

  9. Enhancement of nucleate pool boiling heat transfer to dilute binary mixtures using endothermic chemical reactions around the smoothed horizontal cylinder

    NASA Astrophysics Data System (ADS)

    Sarafraz, M. M.; Peyghambarzadeh, S. M.; Alavifazel, S. A.

    2012-10-01

    Experimental studies on enhancing the pool boiling heat transfer coefficient of binary dilute mixtures of water/glycerol, water/MEG (Mono-ethylene glycol) and water/DEG (di-ethylene glycol) have been carried out. Some particular endothermic chemical reactions related to ammonium salts were used to enhance the pool boiling heat transfer coefficient, simultaneously with occurrence of pool boiling heat transfer. Accordingly, 100 g of Ammonium nitrate, ammonium perborate and Ammonium sulfate were selected to dissolve into mixtures. High and extreme solution enthalpies of each of these ammonium salt powders are employed to reduce the surface temperature around the horizontal cylinder locally. Results demonstrated that presence of ammonium salts into the mixtures deteriorates the surface temperature of cylinder and as the result, higher pool boiling heat transfer coefficient is reported for tested solutions. Results are also reported and compared for different ammonium salts to find the influence of inducing different enthalpies of solution on pool boiling heat transfer coefficient. Obtained results also indicated that presence of endothermic reaction besides the pool boiling heat transfer enhances the heat transfer coefficients in comparison with nucleate pool boiling phenomenon solely.

  10. Synergic effects in the extraction of paracetamol from aqueous NaCl solution by the binary mixtures of diethyl ether and low molecular weight primary alcohols

    NASA Astrophysics Data System (ADS)

    Nikolić, G. M.; Živković, J. V.; Atanasković, D. S.; Nikolić, M. G.

    2013-12-01

    Liquid-liquid extraction of paracetamol from aqueous NaCl solutions was performed with diethyl ether, 1-propanol, 1-butanol, isobutanol, 1-pentanol, and binary mixtures diethyl ether/1-propanol, diethyl ether/1-butanol, and diethyl ether/isobutanol. Among the pure solvents investigated in this study best extraction efficacy was obtained with 1-butanol. Synergic effects in the extraction with binary mixtures was investigated and compared with some other systems used for the extraction of poorly extractable compounds. Results obtained in this study may be of both fundamental and practical importance.

  11. DESCRIBING DISABILITY THROUGH INDIVIDUAL-LEVEL MIXTURE MODELS FOR MULTIVARIATE BINARY DATA*

    PubMed Central

    Erosheva, Elena A.; Fienberg, Stephen E.; Joutard, Cyrille

    2008-01-01

    Data on functional disability are of widespread policy interest in the United States, especially with respect to planning for Medicare and Social Security for a growing population of elderly adults. We consider an extract of functional disability data from the National Long Term Care Survey (NLTCS) and attempt to develop disability profiles using variations of the Grade of Membership (GoM) model. We first describe GoM as an individual-level mixture model that allows individuals to have partial membership in several mixture components simultaneously. We then prove the equivalence between individual-level and population-level mixture models, and use this property to develop a Markov Chain Monte Carlo algorithm for Bayesian estimation of the model. We use our approach to analyze functional disability data from the NLTCS. PMID:21687832

  12. Vapor-liquid equilibria for the binary difluoromethane (R-32) + propane (R-290) mixture

    SciTech Connect

    Higashi, Y. . Dept. of Mechanical Engineering)

    1999-03-01

    The vapor-liquid equilibrium of the mixture composed of difluoromethane (R-32) and propane (R-290) was studied in the temperature range between 273.15 and 313.15 K. The experimental uncertainties of temperature, pressure, and composition measurements were estimated to be within [+-]10 mK, [+-]3 kPa, and [+-]0.4 mol%, respectively. Comparisons between the present data and available experimental data were made using the Helmholz free energy mixture model (HMM) adopted in the thermophysical properties program package, REFPOP 6.0, as a baseline. In addition, the existence of an azeotrope and the determination of new adjustable parameters for HMM for the R-32 + R-290 mixture are discussed.

  13. Vapor-liquid equilibria for the binary difluoromethane (R-32) + propane (R-290) mixture

    SciTech Connect

    Higashi, Y.

    1999-03-01

    The vapor-liquid equilibrium of the mixture composed of difluoromethane (R-32) and propane (R-290) was studied in the temperature range between 273.15 and 313.15 K. The experimental uncertainties of temperature, pressure, and composition measurements were estimated to be within {+-}10 mK, {+-}3 kPa, and {+-}0.4 mol%, respectively. Comparisons between the present data and available experimental data were made using the Helmholz free energy mixture model (HMM) adopted in the thermophysical properties program package, REFPOP 6.0, as a baseline. In addition, the existence of an azeotrope and the determination of new adjustable parameters for HMM for the R-32 + R-290 mixture are discussed.

  14. 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.

  15. 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.

  16. Molecular dynamics simulation of a binary mixture near the lower critical point

    NASA Astrophysics Data System (ADS)

    Pousaneh, Faezeh; Edholm, Olle; Maciołek, Anna

    2016-07-01

    2,6-lutidine molecules mix with water at high and low temperatures but in a wide intermediate temperature range a 2,6-lutidine/water mixture exhibits a miscibility gap. We constructed and validated an atomistic model for 2,6-lutidine and performed molecular dynamics simulations of 2,6-lutidine/water mixture at different temperatures. We determined the part of demixing curve with the lower critical point. The lower critical point extracted from our data is located close to the experimental one. The estimates for critical exponents obtained from our simulations are in a good agreement with the values corresponding to the 3D Ising universality class.

  17. Molecular simulation of the binary mixture of 1-1-1-2-tetrafluoroethane and carbon dioxide.

    PubMed

    Do, Hainam; Wheatley, Richard J; Hirst, Jonathan D

    2011-09-14

    The refrigerant 1-1-1-2-tetrafluoroethane (R134a) is being phased out in Europe from 2011. This requires the adoption of alternatives, and the mixture of R134a with carbon dioxide (CO(2)) is a promising candidate. However, limited experimental data currently stymie evaluation of its performance in industrial applications. In this paper, we employ atomistic force fields and the configurational-bias Monte Carlo technique to study the vapour-liquid equilibrium of this mixture. We also characterize the microscopic structure of the mixture, which is not readily available from experiments. At 272 K and 11.55 bar, the average coordination number of the first solvation shell of R134a is 11 and that of CO(2) is eight. CO(2) does not alter the structure of R134a, but its structure is slightly changed, due to the presence of R134a. All pair interactions are sensitive to pressure and are more structured at lower pressure. CO(2) prefers to form clusters of two in the mixture and highly extended or percolating clusters are not found. PMID:21799989

  18. PERFORMANCE OF CHLORINE-FREE BINARY ZEOTROPIC REFRIGERANT MIXTURES IN A HEAT PUMP

    EPA Science Inventory

    The report gives results of a study that uses a simulation model and an experimental heat pump apparatus with counterflow heat exchangers to show that two hydrofluorocarbon (HFC) refrigerant mixtures, HFC-32/-152a and HFC-32/-134a, may be considered to be replacements for hydroch...

  19. 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.

  20. Smart stability-indicating spectrophotometric methods for determination of binary mixtures without prior separation.

    PubMed

    El-Bardicy, Mohammad G; Lotfy, Hayam M; El-Sayed, Mohammad A; El-Tarras, Mohammad F

    2008-01-01

    Ratio subtraction and isosbestic point methods are 2 innovating spectrophotometric methods used to determine vincamine in the presence of its acid degradation product and a mixture of cinnarizine (CN) and nicergoline (NIC). Linear correlations were obtained in the concentration range from 8-40 microg/mL for vincamine (I), 6-22 microg/mL for CN (II), and 6-36 microg/mL for NIC (III), with mean accuracies 99.72 +/- 0.917% for I, 99.91 +/- 0.703% for II, and 99.58 +/- 0.847 and 99.83 +/- 1.039% for III. The ratio subtraction method was utilized for the analysis of laboratory-prepared mixtures containing different ratios of vincamine and its degradation product, and it was valid in the presence of up to 80% degradation product. CN and NIC in synthetic mixtures were analyzed by the 2 proposed methods with the total content of the mixture determined at their respective isosbestic points of 270.2 and 235.8 nm, and the content of CN was determined by the ratio subtraction method. The proposed method was validated and found to be suitable as a stability-indicating assay method for vincamine in pharmaceutical formulations. The standard addition technique was applied to validate the results and to ensure the specificity of the proposed methods. PMID:18476341

  1. Concentration measurement systems with stable solutions for binary gas mixtures using two flowmeters

    NASA Astrophysics Data System (ADS)

    Youn, Chongho; Kawashima, Kenji; Kagawa, Toshiharu

    2011-06-01

    The previously proposed gas concentration measurement system (Yamazaki et al 2007 Meas. Sci. Technol. 18 2762-8) shows a considerable error for some combinations of gases. The error increases when the system of equations determining mole fractions becomes a mathematically ill-conditioned system. Because the parameters of the equations reflect the material properties of the gases, the current paper considers flowmeters whose flow rate indication does not involve any gas property. This paper firstly illustrates the ill condition for the combination of venturi meter and laminar flowmeters. The paper then discusses the simultaneous measurement of flow rate and mole fractions by flowmeter combinations: an ultrasonic flowmeter and a venturi meter, an ultrasonic flowmeter and a laminar flowmeter. Experiments are conducted for a mixture of argon and air. When a venturi meter and a laminar flowmeter are used, the equations to evaluate the gas mixture ratio become an ill-conditioned system, and hence the evaluated mixture ratio shows a considerable error. On the other hand, the combination of an ultrasonic flowmeter and a laminar flowmeter detects the gas mixture ratio with proper accuracy.

  2. Investigation of hydrogen bond in binary mixture (pyridine + propionic acid) by spectroscopy and DFT calculations

    NASA Astrophysics Data System (ADS)

    Chen, Yuan-Zheng; Liu, Tian-Yuan; Qu, Guan-Nan; Sun, Shang; Gao, Shu-Qin; Zhou, Mi; Sun, Chen-Lin; Li, Zuo-Wei

    2011-11-01

    This Letter analyzed the hydrogen bond between pyridine and propionic acid using Raman and infrared spectra as a function of concentrations. The wavenumber shift and line width change were investigated to analyze the effects of hydrogen bond on the ring breathing mode and the triangle mode of pyridine. Density functional theory (DFT) at the B3LYP/6-31++G (d,p) level was performed on the binary solution. The simulated vibrational Raman spectra obtained the experimentally observed spectral features about the blue-shifted of the ring breathing mode. Furthermore, the effect of the hydrogen bond on Fermi Resonance (FR) was discussed.

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

    NASA Technical Reports Server (NTRS)

    Talcott, N. A., Jr.

    1977-01-01

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

  4. Association constants and distribution functions for ion pairs in binary solvent mixtures: Application to a cyanine dye system

    NASA Astrophysics Data System (ADS)

    Odinokov, A. V.; Basilevsky, M. V.; Nikitina, E. A.

    2011-10-01

    The computations of the association constants Kass were performed at the microscopic level for the ion pair Cy+I- composed of the complex cyanine dye cation Cy+ coupled to the negative iodine counterion. The wide array of Kass values is arranged by a variation of the composition of the binary solvent mixtures toluene/dimethylsulfoxide with the accompanying change of the solvent polarity. The potentials of mean force (PMFs) are calculated for a set of interionic separations R in the Cy+I- by a methodology which combines the quantum-chemical techniques for the treatment of the electronic structure of the Cy+I- system with the recent dielectric continuum approach which accounts for the solvation effects. For a given solute/solvent system the probability function P(R), which describes the distribution of interionic separations, is constructed in terms of the PMFs and implemented for the evaluation of the Kass.

  5. Transport properties of binary mixtures of carbon dioxide and 1-butyl-3-methylimidazolium hexafluorophosphate studied by transient grating spectroscopy.

    PubMed

    Demizu, Masashi; Terazima, Masahide; Kimura, Yoshifumi

    2008-10-01

    Transient grating spectroscopy was applied to measurements of sound velocity and thermal diffusivity in binary mixture solutions of carbon dioxide (CO(2)) and 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIm][PF(6)]) along the saturated line of CO(2) at 40 degrees C up to 20.0 MPa. The sound velocity decreased more than 10% by increasing the pressure to 10 MPa, and the pressure effect was very small above 10 MPa. The change in the thermal diffusivity was small. The translational diffusion coefficients of carbon monoxide, diphenylacetylene (DPA), and diphenylcyclopropenone (DPCP) were also determined. The diffusion coefficients increased up to 10 MPa, and the pressure effect was almost saturated above 10 MPa. The pressure dependence of the diffusion coefficients of DPCP and DPA was larger than that of carbon monoxide. The results are discussed in relation with the viscosity change caused by applying pressure. PMID:18845895

  6. Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 2-Ethyl-1-hexanol with Benzene and Halobenzenes

    NASA Astrophysics Data System (ADS)

    Bhatia, Subhash C.; Sangwan, Jasbir; Rani, Ruman; Kiran, Vijay

    2013-11-01

    Densities, , viscosities, , speeds of sound, , and refractive indices, , of binary liquid mixtures of 2-ethyl-1-hexanol with benzene, chlorobenzene, and bromobenzene have been measured over the entire range of composition at 298.15 K, 303.15 K, and 308.15 K and at atmospheric pressure. From the experimental data of the density, speed of sound, viscosity, and refractive index, the values of the excess molar volume, , isentropic compressibility, , and deviations in molar refraction, , have been calculated. The viscosity data have been correlated using McAllister's three-body interaction model at different temperatures. The calculated excess and deviation functions have been analyzed in terms of molecular interactions and structural effects.

  7. Densities, Viscosities, Speeds of Sound, and Refractive Indices of Binary Mixtures of 1-Decanol with Isomeric Chlorotoluenes

    NASA Astrophysics Data System (ADS)

    Bhatia, Subhash C.; Rani, Ruman; Sangwan, Jasbir; Bhatia, Rachna

    2011-06-01

    Densities, ρ, viscosities, η, speeds of sound, u, and refractive indices, n D, of binary liquid mixtures of 1-decanol with o-chlorotoluene, m-chlorotoluene, and p-chlorotoluene have been measured over the entire range of composition at 298.15 K, 303.15 K, and 308.15 K and at atmospheric pressure. From the experimental data of density, speed of sound, viscosity and refractive index, the values of the excess molar volume, V E, deviations in isentropic compressibility, Δ κ S , and deviations in molar refraction, Δ R, have been calculated. The calculated excess and deviation functions have been analyzed in terms of molecular interactions and structural effects.

  8. 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

  9. SANS (small-angle neutron scattering) evaluation of the RPA (random phase approximation) theory for binary homopolymer mixtures

    SciTech Connect

    Bates, F.S.; Koehler, W.C.; Wignall, G.D.; Fetters, L.J.

    1986-12-01

    A well characterized binary mixture of normal (protonated) and perdeuterated monodisperse 1,2 polybutenes has been studied by small-angle neutron scattering (SANS). For scattering wavevectors q greater than the inverse radius-of-gyration R/sub g//sup -1/, the SANS intensity is quantitatively predicted by the random phase approximation (RPA) theory of deGennes over all measured values of the segment-segment interaction parameter Chi. In the region (Chi s-Chi)Chi s/sup -1/ > 0.5 the interaction parameter determined using the RPA theory for q > R/sub g//sup -1/ is greater than that calculated from the zero-angle intensity based on an Ornstein-Zernike plot, where Chi s represents the limit of single phase stability. These findings indicate a correlation between the critical fluctuation length xi and R/sub g/ which is not accounted for by the RPA theory.

  10. Recognizing indoor formaldehyde in binary gas mixtures with a micro gas sensor array and a neural network

    NASA Astrophysics Data System (ADS)

    Lv, Pin; Tang, Zhenan; Wei, Guangfen; Yu, Jun; Huang, Zhengxing

    2007-09-01

    Low-concentration formaldehyde (HCHO) together with ethanol/toluene/acetone/α-pinene (as an interference gas of HCHO) is detected with a micro gas sensor array, composed of eight tin oxide (SnO2) thin film gas sensors with Au, Cu, Pt or Pd metal catalysts. The characteristics of the multi-dimensional signals from the eight sensors are evaluated. A multilayer neural network with an error backpropagation (BP) learning algorithm, plus the principal component analysis (PCA) technique, is implemented to recognize these indoor volatile organic compounds (VOC). The results show that the micro gas sensor array, plus the multilayer neural network, is very effective in recognizing 0.06 ppm HCHO in single gas component and in binary gas mixtures, toluene/ethanol/α-pinene with small relative error.

  11. Jammed Particle Configurations and Dynamics in High-Density Lennard-Jones Binary Mixtures in Two Dimensions

    NASA Astrophysics Data System (ADS)

    Shiba, H.; Onuki, A.

    We examine the changeover in the particle configurations and the dynamics in dense Lennard-Jones binary mixtures composed of small and large particles. By varying the composition at a low temperature, we realize crystal with defects, polycrystal with small grains, and glass with various degrees of disorder. In particular, we show configurations where small crystalline regions composed of the majority species are enclosed by percolated amorphous layers composed of the two species. We visualize the dynamics of configuration changes using the method of bond breakage and following the particle displacements. In quiescent jammed states, the dynamics is severely slowed down and is highly heterogeneous at any compositions. We apply shear flow by relative motions of boundary layers. Then plastic deformations multiply occur in relatively fragile regions, growing into large-scale shear bands where the strain is highly localized. Such bands appear on short time scales and evolve on l ong time scales with finite lifetimes.

  12. Interfacial properties of binary mixtures of square-well molecules from Monte Carlo simulation.

    PubMed

    Martínez-Ruiz, F J; Blas, F J

    2016-04-21

    We determine the interfacial properties of mixtures of spherical square-well molecules from direct simulation of the vapor-liquid interface. We consider mixtures with the same molecular size and intermolecular potential range but different dispersive energy parameter values. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of mixtures of square-well molecules. In particular, we determine the pressuretensor using the mechanical (virial) route and the vapor-liquid interfacial tension evaluated using the Irving-Kirkwood method. In addition to the pressuretensor and the surface tension, we also obtain density profiles, coexistence densities, and interfacial thickness as functions of pressure, at a given temperature. This work can be considered as the extension of our previous work [F. J. Martínez-Ruiz and F. J. Blas, Mol. Phys. 113, 1217 (2015)] to deal with mixtures of spherical molecules that interact through a discontinuous intermolecular potential. 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 vapor-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 more volatile component at the interface. This maximum is related with adsorption or accumulation of these molecules at the interface, since there are stronger attractive interactions between these molecules in comparison with the rest of intermolecular interactions. Also, the interfacial thickness decreases and the surface tension increases as ϵ22/ϵ11 is larger, a direct consequence of the increasing of the cohesive energy of the system. PMID:27389232

  13. Interfacial properties of binary mixtures of square-well molecules from Monte Carlo simulation

    NASA Astrophysics Data System (ADS)

    Martínez-Ruiz, F. J.; Blas, F. J.

    2016-04-01

    We determine the interfacial properties of mixtures of spherical square-well molecules from direct simulation of the vapor-liquid interface. We consider mixtures with the same molecular size and intermolecular potential range but different dispersive energy parameter values. We perform Monte Carlo simulations in the canonical ensemble to obtain the interfacial properties of mixtures of square-well molecules. In particular, we determine the pressure tensor using the mechanical (virial) route and the vapor-liquid interfacial tension evaluated using the Irving-Kirkwood method. 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. This work can be considered as the extension of our previous work [F. J. Martínez-Ruiz and F. J. Blas, Mol. Phys. 113, 1217 (2015)] to deal with mixtures of spherical molecules that interact through a discontinuous intermolecular potential. According to our results, the main effect of increasing the ratio between the dispersive energy parameters of the mixture, ɛ22/ɛ11, is to sharpen the vapor-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 more volatile component at the interface. This maximum is related with adsorption or accumulation of these molecules at the interface, since there are stronger attractive interactions between these molecules in comparison with the rest of intermolecular interactions. Also, the interfacial thickness decreases and the surface tension increases as ɛ22/ɛ11 is larger, a direct consequence of the increasing of the cohesive energy of the system.

  14. Theory of kinetic arrest, elasticity, and yielding in dense binary mixtures of rods and spheres.

    PubMed

    Jadrich, Ryan; Schweizer, Kenneth S

    2012-12-01

    We extend the quiescent and stressed versions of naïve mode coupling theory to treat the dynamical arrest, shear modulus, and absolute yielding of particle mixtures where one or more species is a nonrotating nonspherical object. The theory is applied in detail to dense isotropic "chemically matched" mixtures of variable aspect ratio rods and spheres that interact via repulsive and short range attractive site-site pair potentials. A remarkably rich ideal kinetic arrest behavior is predicted with up to eight "dynamical phases" emerging: an ergodic fluid, partially localized states where the spheres remain fluid but the rods can be a gel, repulsive glass or attractive glass, doubly localized glasses and gels, a porous rod gel plus sphere glass, and a narrow window where a type of rod glass and gel localization coexist. Dynamical complexity increases with rod length and the introduction of attractive forces between all species which both enhance gel network formation. Multiple dynamic reentrant features and triple points are predicted, and each dynamic phase has unique particle localization characteristics and mechanical properties. Orders of magnitude variation of the linear shear modulus and absolute yield stress are found as rod length, mixture composition and the detailed nature of interparticle attractions are varied. The interplay of total (high) mixture packing fraction and composition at fixed temperature is also briefly studied. The present work provides a foundation to study more complex rod-sphere mixtures of both biological and synthetic interest that include physical features such as interaction site size asymmetry, rod-sphere specific attractions, and/or Coulomb repulsion. PMID:23367954

  15. Gene expression responses in male fathead minnows exposed to binary mixtures of an estrogen and antiestrogen

    PubMed Central

    Garcia-Reyero, Natàlia; Kroll, Kevin J; Liu, Li; Orlando, Edward F; Watanabe, Karen H; Sepúlveda, María S; Villeneuve, Daniel L; Perkins, Edward J; Ankley, Gerald T; Denslow, Nancy D

    2009-01-01

    Background Aquatic organisms are continuously exposed to complex mixtures of chemicals, many of which can interfere with their endocrine system, resulting in impaired reproduction, development or survival, among others. In order to analyze the effects and mechanisms of action of estrogen/anti-estrogen mixtures, we exposed male fathead minnows (Pimephales promelas) for 48 hours via the water to 2, 5, 10, and 50 ng 17α-ethinylestradiol (EE2)/L, 100 ng ZM 189,154/L (a potent antiestrogen known to block activity of estrogen receptors) or mixtures of 5 or 50 ng EE2/L with 100 ng ZM 189,154/L. We analyzed gene expression changes in the gonad, as well as hormone and vitellogenin plasma levels. Results Steroidogenesis was down-regulated by EE2 as reflected by the reduced plasma levels of testosterone in the exposed fish and down-regulation of genes in the steroidogenic pathway. Microarray analysis of testis of fathead minnows treated with 5 ng EE2/L or with the mixture of 5 ng EE2/L and 100 ng ZM 189,154/L indicated that some of the genes whose expression was changed by EE2 were blocked by ZM 189,154, while others were either not blocked or enhanced by the mixture, generating two distinct expression patterns. Gene ontology and pathway analysis programs were used to determine categories of genes for each expression pattern. Conclusion Our results suggest that response to estrogens occurs via multiple mechanisms, including canonical binding to soluble estrogen receptors, membrane estrogen receptors, and other mechanisms that are not blocked by pure antiestrogens. PMID:19594897

  16. Microwave induced synthesis of graft copolymer of binary vinyl monomer mixtures onto delignified Grewia optiva fibre: Application in dye removal

    NASA Astrophysics Data System (ADS)

    Gupta, Vinod; Pathania, Deepak; Priya, Bhanu; Singha, A. K.; Sharma, Gaurav

    2014-08-01

    Grafting method, through microwave radiation technique is very effective in terms of time consumption, cost effectiveness and environmental friendliness. Via this method, delignified Grewia optiva identified as a waste biomass, was graft copolymerized with methylmethacrylate (MMA) as an principal monomer in a binary mixture of ethyl methacrylate (EMA) and ethyl acrylate (EA) under microwave irradiation (MWR) using ascorbic acid/H2O2 as an initiator system. The concentration of the comonomer was optimized to maximize the graft yield with respect to the primary monomer. Maximum graft yield (86.32%) was found for dGo-poly(MMA-co-EA) binary mixture as compared to other synthesized copolymer. The experimental results inferred that the optimal concentrations for the comonomers to the optimized primary monomer was observed to be 3.19 mol/L×10-1 for EMA and 2.76 mol/L×10-1 for EA. Delignified and graft copolymerized fibre were subjected to evaluation of physicochemical properties such as swelling behaviour and chemical resistance. The synthesized graft copolymers were characterized with Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and X-ray diffraction techniques. Thermal stability of dGo-poly(MMA-co-EA) was found to be more as compared to the delignified Grewia optiva fibre and other graft copolymers. Although the grafting technique was found to decrease percentage crystallinity and crystallinity index among the graft copolymers but there was significant increase in their acid/base and thermal resistance properties. The grafted samples have been explored for the adsorption of hazardous methylene dye from aqueous system.

  17. Microwave induced synthesis of graft copolymer of binary vinyl monomer mixtures onto delignified Grewia optiva fiber: application in dye removal

    PubMed Central

    Gupta, Vinod Kumar; Pathania, Deepak; Priya, Bhanu; Singha, Amar Singh; Sharma, Gaurav

    2014-01-01

    Grafting method, through microwave radiation technique is very effective in terms of time consumption, cost effectiveness and environmental friendliness. Via this method, delignified Grewia optiva identified as a waste biomass, was graft copolymerized with methylmethacrylate (MMA) as an principal monomer in a binary mixture of ethyl methacrylate (EMA) and ethyl acrylate (EA) under microwave irradiation (MWR) using ascorbic acid/H2O2 as an initiator system. The concentration of the comonomer was optimized to maximize the graft yield with respect to the primary monomer. Maximum graft yield (86.32%) was found for dGo-poly(MMA-co-EA) binary mixture as compared to other synthesized copolymer. The experimental results inferred that the optimal concentrations for the comonomers to the optimized primary monomer was observed to be 3.19 mol/L × 10−1 for EMA and 2.76 mol/L × 10−1 for EA. Delignified and graft copolymerized fiber were subjected to evaluation of physicochemical properties such as swelling behavior and chemical resistance. The synthesized graft copolymers were characterized with Fourier transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), thermogravimetric analysis (TGA) and X-ray diffraction techniques. Thermal stability of dGo-poly(MMA-co-EA) was found to be more as compared to the delignified Grewia optiva fiber and other graft copolymers. Although the grafting technique was found to decrease percentage crystallinity and crystallinity index among the graft copolymers but there was significant increase in their acid/base and thermal resistance properties. The grafted samples have been explored for the adsorption of hazardous methylene dye from aqueous system. PMID:25157348

  18. Abatement of SO2-NOx binary gas mixtures using a ferruginous active absorbent: Part I. Synergistic effects and mechanism.

    PubMed

    Han, Yinghui; Li, Xiaolei; Fan, Maohong; Russell, Armistead G; Zhao, Yi; Cao, Chunmei; Zhang, Ning; Jiang, Genshan

    2015-04-01

    A novel ferruginous active absorbent, prepared by fly ash, industrial lime and the additive Fe(VI), was introduced for synchronous abatement of binary mixtures of SO2-NOx from simulated coal-fired flue gas. The synergistic action of various factors on the absorption of SO2 and NOx was investigated. The results show that a strong synergistic effect exists between Fe(VI) dose and reaction temperature for the desulfurization. It was observed that in the denitration process, the synergy of Fe(VI) dose and Ca/(S+N) had the most significant impact on the removal of NO, followed by the synergy of Fe(VI) and reaction temperature, and then the synergy of reaction temperature and flue gas humidity. A scanning electron microscope (SEM) and an accessory X-ray energy spectrometer (EDS) were used to observe the surface characteristics of the raw and spent absorbent as well as fly ash. A reaction mechanism was proposed based on chemical analysis of sulfur and nitrogen species concentrations in the spent absorbent. The Gibbs free energy, equilibrium constants and partial pressures of the SO2-NOx binary system were determined by thermodynamics. PMID:25872709

  19. Tracer diffusion of hard-sphere binary mixtures under nano-confinement

    NASA Astrophysics Data System (ADS)

    Marini Bettolo Marconi, Umberto; Malgaretti, Paolo; Pagonabarraga, Ignacio

    2015-11-01

    The physics of diffusion phenomena in nano- and microchannels has attracted a lot of attention in recent years, due to its close connection with many technological, medical, and industrial applications. In the present paper, we employ a kinetic approach to investigate how the confinement in nanostructured geometries affects the diffusive properties of fluid mixtures and leads to the appearance of properties different from those of bulk systems. In particular, we derive an expression for the friction tensor in the case of a bulk fluid mixture confined to a narrow slit having undulated walls. The boundary roughness leads to a new mechanism for transverse diffusion and can even lead to an effective diffusion along the channel larger than the one corresponding to a planar channel of equivalent section. Finally, we discuss a reduction of the previous equation to a one dimensional effective diffusion equation in which an entropic term encapsulates the geometrical information on the channel shape.

  20. Spontaneously axisymmetry-breaking phase in a binary mixture of spinor Bose-Einstein condensates

    SciTech Connect

    Xu, Z. F.; Lue, R.; You, L.; Mei, J. W.

    2010-11-15

    We study the ground-state phases for a mixture of two atomic spin-1 Bose-Einstein condensates in the presence of a weak magnetic (B) field. The ground state is found to contain a broken-axisymmetry (BA) phase due to competitions among intraspecies and interspecies spin-exchange interactions and the linear Zeeman shifts. This is in contrast to the case of a single-species spin-1 condensate, where the axisymmetry breaking results from competitions among the linear and quadratic Zeeman shifts and the intraspecies ferromagnetic interaction. All other remaining ground-state phases for the mixture are found to preserve axisymmetry. We further elaborate on the ground-state phase diagram and calculate the Bogoliubov excitation spectra of the phases. For the BA phase, there exist three Goldstone modes that attempt to restore the broken U(1) and SO(2) symmetries.

  1. Microwave dielectric characterization of binary mixture of formamide with N, N-dimethylaminoethanol

    NASA Astrophysics Data System (ADS)

    Undre, Prabhakar; Helambe, S. N.; Jagdale, S. B.; Khirade, P. W.; Mehrotra, S. C.

    2007-05-01

    Dielectric relaxation measurements of formamide (FMD)-N,N-dimethylaminoethanol (DMAE) solvent mixtures have been carried out over the entire concentration range using time domain reflectometry technique at 25, 35 and 45°C in the frequency range of 10 MHz to 20 GHz. The mixtures exhibit a principle dispersion of the Davidson-Cole relaxation type at microwave frequencies. Bilinear calibration method is used to obtain complex permittivity \\varepsilon^{ast}(omega) from complex reflection coefficient ρ^{ast}(ω) over the frequency range of 10 MHz to 10 GHz. The excess permittivity (\\varepsilon^{E}), excess inverse relaxation time (1/τ)^{E}, Kirkwood correlation factor (g^{eff}), activation energy and Bruggeman factor (f_{B}) are also calculated to study the solute-solvent interaction.

  2. Poly-(3-hexylthiophene) Aggregate Formation in Binary Solvent Mixtures: An Excitonic Coupling Analysis

    NASA Astrophysics Data System (ADS)

    Boucher, David; Johnson, Calynn

    2014-03-01

    We have studied the aggregation behavior of P3HT [Mn ~ 28.2 kDa, regioregularity >96 %, PDI ~ 1.3] in 96 solvent mixtures is studied using UV-Vis absorption spectroscopy. We used Hansen solubility parameters (HSPs) and Spano excitonic coupling analyses to identify correlations between the properties of the solvent mixtures and the extent of structural order of the aggregates. It is clear that the identity of the poor solvent used to drive aggregation has a significant impact on the excitonic coupling behavior and, hence, the structural order of the P3HT aggregates. However, solubility parameter theory does not account nor provide a predictive theory for the observed trends. Instead, qualitative arguments based on the nature of the interactions between the solvents and the polythiophene and hexyl side chain motifs are used to rationalize the kinetics of formation and the observed excitonic coupling characteristics of the P3HT aggregates.

  3. Molecular dynamics simulation of a binary mixture near the lower critical point.

    PubMed

    Pousaneh, Faezeh; Edholm, Olle; Maciołek, Anna

    2016-07-01

    2,6-lutidine molecules mix with water at high and low temperatures but in a wide intermediate temperature range a 2,6-lutidine/water mixture exhibits a miscibility gap. We constructed and validated an atomistic model for 2,6-lutidine and performed molecular dynamics simulations of 2,6-lutidine/water mixture at different temperatures. We determined the part of demixing curve with the lower critical point. The lower critical point extracted from our data is located close to the experimental one. The estimates for critical exponents obtained from our simulations are in a good agreement with the values corresponding to the 3D Ising universality class. PMID:27394111

  4. Structure and properties of binary polystyrene-epoxy acrylate oligomer mixtures irradiated by electron beams

    SciTech Connect

    Lomonosova, N.V.

    1995-03-01

    The change in the structure of oriented polymer-oligomer systems based on polystyrene (PS) with M > 10{sup 6} and epoxy acrylate oligomers (aliphatic and aromatic) under irradiation by accelerated electrons was studied using birefringence, isometric heating, IR dichroism, and thermooptical analysis. Mechanical properties of these systems were investigated. It was found that, by adding aliphatic epoxy acrylate to PS and further irradiating this mixture, one can obtain both isotropic and oriented composites with higher strengths, elasticity moduli, and glass transition temperatures.

  5. The Determination of Protonation Constants of Peptidomimetic Cyclophanes in Binary Methanol-Water Mixtures

    PubMed Central

    Tomczyk, Danuta; Andrijewski, Grzegorz

    2016-01-01

    The protonation constants of new group of peptidomimetic cyclophanes with valine or phenylalanine moieties incorporated into the macrocyclic skeleton as well as their linear analogues were determined by potentiometric measurements in solutions of methanol-water mixtures at 25°C and constant ionic strength. The influence of cavity size, location of protonation sites, and attached substituents of the macrocyclic ligands on the protonation constants were discussed on the basis of potentiometric measurement as well as H1-NMR results. PMID:27516918

  6. Dielectric Spectroscopy of Binary Liquid Mixtures of Methanol with Morpholine, Pyrrolidine and some of their Derivatives

    NASA Astrophysics Data System (ADS)

    Syal, V. K.; Becker, U.; Elsebrock, R.; Stockhausen, M.

    1997-09-01

    Dielectric spectra (up to 72 GHz) have been measured at 20 °C for mixtures of methanol and one of the following substances: morpholine, N-methyl morpholine, N-cyano morpholine, pyrrolidine and N-cyano pyrrolidine. The composition dependence of the relaxation parameters shows close similarities for the morpholines and, on the other hand, for the pyrrolidines, which indicates that a structure breaking effect on methanol is exerted by the former but not by the latter group of substances.

  7. The Determination of Protonation Constants of Peptidomimetic Cyclophanes in Binary Methanol-Water Mixtures.

    PubMed

    Seliger, Piotr; Tomczyk, Danuta; Andrijewski, Grzegorz; Tomal, Ewa

    2016-01-01

    The protonation constants of new group of peptidomimetic cyclophanes with valine or phenylalanine moieties incorporated into the macrocyclic skeleton as well as their linear analogues were determined by potentiometric measurements in solutions of methanol-water mixtures at 25°C and constant ionic strength. The influence of cavity size, location of protonation sites, and attached substituents of the macrocyclic ligands on the protonation constants were discussed on the basis of potentiometric measurement as well as H(1)-NMR results. PMID:27516918

  8. Tracing the origins of transient overshoots for binary mixture diffusion in microporous crystalline materials.

    PubMed

    Krishna, Rajamani

    2016-06-21

    Separation of mixtures using microporous crystalline materials is normally achieved by exploiting differences in the adsorption strengths of the constituent species. The focus of the current investigation is on diffusion-selective separations that exploit differences in intra-crystalline diffusivities of guest molecules. A number of experimental investigations report overshoots in intra-crystalline loadings of the more mobile species during transient mixture uptake. Analogous overshoots in fluxes occur for mixture permeation across thin microporous membrane layers. The attainment of supra-equilibrium loadings is a common characteristic of diffusion-selective separations; this allows the over-riding of adsorption selectivities. The primary objective of the current investigation is to demonstrate that the Maxwell-Stefan diffusion formulation, using chemical potential gradients as driving forces, is capable of providing a quantitative description of the temporal and spatial overshoots found in diverse experimental studies. The origins of the overshoots can be traced to thermodynamic coupling effects that emanate from sizable off-diagonal contributions of the matrix of thermodynamic correction factors. If thermodynamic coupling effects are neglected, the overshoots are not realized. It is also demonstrated that while the transport of the more mobile partner is uphill of its loading gradient, its transport is downhill the gradient of its chemical potential. The deliberate exploitation of uphill diffusion to achieve difficult separations is highlighted. PMID:27230390

  9. A classical model for closed-loop diagrams of binary liquid mixtures

    SciTech Connect

    Schnitzler, J.v.; Prausnitz, J.M. |

    1994-03-01

    A classical lattice model for closed-loop temperature-composition phase diagrams has been developed. It considers the effect of specific interactions, such as hydrogen bonding, between dissimilar components. This van Laar-type model includes a Flory-Huggins term for the excess entropy of mixing. It is applied to several liquid-liquid equilibria of nonelectrolytes, where the molecules of the two components differ in size. The model is able to represent the observed data semi-quantitatively, but in most cases it is not flexible enough to predict all parts of the closed loop quantitatively. The ability of the model to represent different binary systems is discussed. Finally, attention is given to a correction term, concerning the effect of concentration fluctuations near the upper critical solution temperature.

  10. Nonlinear dynamics of long-wave Marangoni convection in a binary mixture with the Soret effect

    NASA Astrophysics Data System (ADS)

    Morozov, M.; Oron, A.; Nepomnyashchy, A. A.

    2013-05-01

    We investigate the nonlinear dynamics of long-wave Marangoni convection in a 2D binary-liquid layer heated from below. Free surface deformations and the Soret effect are taken into account. We employ the set of evolution equations derived in earlier work in the case of small Galileo and Lewis numbers and solve it numerically with periodic boundary conditions. We validate our numerical solution by comparison between the results obtained via two different numerical methods, as well as by comparison with the prior analytical results. We study the transitions between the nonlinear regimes emerging at finite supercriticality values and find a rich variety of patterns. In a sufficiently large computational domain, we observe multistability of waves chaotic in time and spatially replicated periodic and quasiperiodic solutions. For sufficiently high values of the Marangoni number, we also observe a breakdown of model equations.

  11. Demixing of a binary symmetric mixture studied with transition path sampling.

    PubMed

    Schöll-Paschinger, Elisabeth; Dellago, Christoph

    2010-09-14

    We present transition path sampling simulations of the nucleation of the demixing transition in a binary symmetric Lennard-Jones fluid. In this system the demixing transition takes place between two phases of the same density but different compositions. The appropriateness of the reaction coordinate of classical nucleation theory is examined. Using paths harvested with transition path sampling, we investigate the nucleation mechanism and analyze the properties of critical nuclei obtained by determining the transition state ensemble. Our simulations show that despite the fact that the densities of the coexisting phases are equal, the density of the growing cluster plays a crucial role in the nucleation process: nucleation tends to proceed either via small, compact clusters with densities below that of the metastable fluid or via large clusters with even lower densities. PMID:20849176

  12. Binary and Ternary Mixtures of Biopolymers and Water: Viscosity, Refractive Index, and Density

    NASA Astrophysics Data System (ADS)

    Silva, Bárbara Louise L. D.; Costa, Bernardo S.; Garcia-Rojas, Edwin E.

    2016-08-01

    Biopolymers have been the focus of intense research because of their wide applicability. The thermophysical properties of solutions containing biopolymers have fundamental importance for engineering calculations, as well as for thermal load calculations, energy expenditure, and development of new products. In this work, the thermophysical properties of binary and ternary solutions of carboxymethylcellulose and/or high methoxylation pectin and water at different temperatures have been investigated taking into consideration different biopolymer concentrations. The experimental data related to the thermophysical properties were correlated to obtain empirical models that can describe the temperature-concentration combined effect on the density, refractive index, and dynamic viscosity. From data obtained from the experiments, the density, refractive index, and dynamic viscosity increase with increasing biopolymer concentration and decrease with increasing temperature. The polynomial models showed a good fit to the experimental data and high correlation coefficients (R2ge 0.98) for each studied system.

  13. 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

  14. Numerical analysis of the Eckhaus instability in travelling-wave convection in binary mixtures.

    PubMed

    Mercader, I; Alonso, A; Batiste, O

    2004-11-01

    The Eckhaus stability boundaries of travelling periodic roll patterns arising in binary fluid convection is analysed using high-resolution numerical methods. We present results corresponding to three different values of the separation ratio used in experiments. Our results show that the subcritical branches of travelling waves bifurcating at the onset of convection suffer sideband instabilities that are restabilised further away in the branch. If this restabilisation is produced after the turning point of the travelling-wave branch, these waves do not become stable in a saddle node bifurcation as would have been the case in a smaller domain. In the regions of instability of the uniform travelling waves we expect to find either transitions between states of different wave number or modulated travelling waves arising in these bifurcations. PMID:15592771

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

    NASA Astrophysics Data System (ADS)

    Alekseechkin, Nikolay V.

    2015-08-01

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

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

    PubMed

    Alekseechkin, Nikolay V

    2015-08-01

    The nonisothermal single-component theory of droplet nucleation [N. V. Alekseechkin, Physica A 412, 186 (2014)] is extended to binary case; the droplet volume V, composition x, and temperature T are the variables of the theory. An approach based on macroscopic kinetics (in contrast to the standard microscopic model of nucleation operating with the probabilities of monomer attachment and detachment) is developed for the droplet evolution and results in the derived droplet motion equations in the space (V, x, T)—equations for V̇≡dV/dt, ẋ, and Ṫ. The work W(V, x, T) of the droplet formation is obtained in the vicinity of the saddle point as a quadratic form with diagonal matrix. Also, the problem of generalizing the single-component Kelvin equation for the equilibrium vapor pressure to binary case is solved; it is presented here as a problem of integrability of a Pfaffian equation. The equation for Ṫ is shown to be the first law of thermodynamics for the droplet, which is a consequence of Onsager's reciprocal relations and the linked-fluxes concept. As an example of ideal solution for demonstrative numerical calculations, the o-xylene-m-xylene system is employed. Both nonisothermal and enrichment effects are shown to exist; the mean steady-state overheat of droplets and their mean steady-state enrichment are calculated with the help of the 3D distribution function. Some qualitative peculiarities of the nucleation thermodynamics and kinetics in the water-sulfuric acid system are considered in the model of regular solution. It is shown that there is a small kinetic parameter in the theory due to the small amount of the acid in the vapor and, as a consequence, the nucleation process is isothermal. PMID:26254656

  17. Flory-Huggins parameter χ, from binary mixtures of Lennard-Jones particles to block copolymer melts

    NASA Astrophysics Data System (ADS)

    Chremos, Alexandros; Nikoubashman, Arash; Panagiotopoulos, Athanassios Z.

    2014-02-01

    In this contribution, we develop a coarse-graining methodology for mapping specific block copolymer systems to bead-spring particle-based models. We map the constituent Kuhn segments to Lennard-Jones particles, and establish a semi-empirical correlation between the experimentally determined Flory-Huggins parameter χ and the interaction of the model potential. For these purposes, we have performed an extensive set of isobaric-isothermal Monte Carlo simulations of binary mixtures of Lennard-Jones particles with the same size but with asymmetric energetic parameters. The phase behavior of these monomeric mixtures is then extended to chains with finite sizes through theoretical considerations. Such a top-down coarse-graining approach is important from a computational point of view, since many characteristic features of block copolymer systems are on time and length scales which are still inaccessible through fully atomistic simulations. We demonstrate the applicability of our method for generating parameters by reproducing the morphology diagram of a specific diblock copolymer, namely, poly(styrene-b-methyl methacrylate), which has been extensively studied in experiments.

  18. Comparative study of spectrophotometric methods manipulating ratio spectra: An application on pharmaceutical binary mixture of cinnarizine and dimenhydrinate

    NASA Astrophysics Data System (ADS)

    Lamie, Nesrine T.

    2015-04-01

    Four simple, specific, accurate and precise spectrophotometric methods are developed and validated for simultaneous determination of cinnarizine (CIN) and dimenhydrinate (DIM) in a binary mixture with overlapping spectra, without preliminary separation. The first method is dual wavelength spectrophotometry (DW), the second is a ratio difference spectrophotometric one (RD) which measures the difference in amplitudes between 250 and 270 nm of ratio spectrum, the third one is novel constant center spectrophotometric method (CC) and the fourth method is mean centering of ratio spectra (MCR). The calibration curve is linear over the concentration range of 4-20 and 10-45 μg/ml for CIN and DIM, respectively. These methods are tested by analyzing synthetic mixtures of the above drugs and they are applied to commercial pharmaceutical preparation of the subjected drugs. The validity of results was assessed by applying standard addition technique. The results obtained were found to agree statistically with those obtained by a reported method, showing no significant difference with respect to accuracy and precision.

  19. A parallelizable block cellular automaton for the study of diffusion of binary mixtures containing CO2 in microporous materials

    NASA Astrophysics Data System (ADS)

    Pintus, Alberto M.; Pazzona, Federico G.; Demontis, Pierfranco; Suffritti, Giuseppe B.

    2011-09-01

    We applied a method based on a block cellular automaton (BCA) algorithm to the study of diffusion of various binary mixtures adsorbed in a model microporous material, such as zeolite ZK4. Our aim was to test the capability of our model to cope with systems in which more than one species is present, using a set of parameters based on heuristic considerations from the molecular dynamics (MD) results present in the literature. A rigorous methodology for the assignment of suitable adsorption energies and diffusion activation barriers for our BCA has not been developed yet, nonetheless the results were quite interesting at this stage and we obtained a good qualitative agreement with MD data in the literature. The mixtures we investigated contain CO2, which causes the so-called segregation-effect, a strong suppression of self-diffusivity of co-adsorbed species. This effect gives rise to relevant problems in the application of some well established and robust methods, while our model proved to be able to reproduce both the common features and the segregation anomaly in the trends of diffusion.

  20. Optical birefringence and its critical behavior in the vicinity of nematic-smectic A phase transition in a binary mixture

    NASA Astrophysics Data System (ADS)

    Sarkar, Sudipta Kumar; Barman, Purna Chandra; Das, Malay Kumar

    2014-08-01

    Optical birefringence (Δn) measurements as a function of temperature have been performed for binary mixtures of octyloxy cyanobiphenyl (8OCB) and octyl cyanobiphenyl (8CB) liquid crystals by means of a high resolution temperature scanning technique. The temperature dependence of the birefringence (Δn) was determined from the transmitted intensity data for wavelengths λ=532 nm. Using a fitting procedure consistent with the mean field theory and the first order nature of nematic-isotropic (N-I) phase transition, the order parameter critical exponent β has been determined. The critical behavior of the nematic-smectic A (N-SmA) phase transition has been investigated from the high resolution birefringence data and the nature of this transition in the mixtures has been assessed. From the evolution of the critical exponent α, it has been possible to predict the limiting value of the McMillan ratio for the tricritical point (TCP) as well as the 3D-XY universality class.

  1. Flory-Huggins parameter χ, from binary mixtures of Lennard-Jones particles to block copolymer melts.

    PubMed

    Chremos, Alexandros; Nikoubashman, Arash; Panagiotopoulos, Athanassios Z

    2014-02-01

    In this contribution, we develop a coarse-graining methodology for mapping specific block copolymer systems to bead-spring particle-based models. We map the constituent Kuhn segments to Lennard-Jones particles, and establish a semi-empirical correlation between the experimentally determined Flory-Huggins parameter χ and the interaction of the model potential. For these purposes, we have performed an extensive set of isobaric-isothermal Monte Carlo simulations of binary mixtures of Lennard-Jones particles with the same size but with asymmetric energetic parameters. The phase behavior of these monomeric mixtures is then extended to chains with finite sizes through theoretical considerations. Such a top-down coarse-graining approach is important from a computational point of view, since many characteristic features of block copolymer systems are on time and length scales which are still inaccessible through fully atomistic simulations. We demonstrate the applicability of our method for generating parameters by reproducing the morphology diagram of a specific diblock copolymer, namely, poly(styrene-b-methyl methacrylate), which has been extensively studied in experiments. PMID:24511981

  2. Flory-Huggins parameter χ, from binary mixtures of Lennard-Jones particles to block copolymer melts

    SciTech Connect

    Chremos, Alexandros; Nikoubashman, Arash Panagiotopoulos, Athanassios Z.

    2014-02-07

    In this contribution, we develop a coarse-graining methodology for mapping specific block copolymer systems to bead-spring particle-based models. We map the constituent Kuhn segments to Lennard-Jones particles, and establish a semi-empirical correlation between the experimentally determined Flory-Huggins parameter χ and the interaction of the model potential. For these purposes, we have performed an extensive set of isobaric–isothermal Monte Carlo simulations of binary mixtures of Lennard-Jones particles with the same size but with asymmetric energetic parameters. The phase behavior of these monomeric mixtures is then extended to chains with finite sizes through theoretical considerations. Such a top-down coarse-graining approach is important from a computational point of view, since many characteristic features of block copolymer systems are on time and length scales which are still inaccessible through fully atomistic simulations. We demonstrate the applicability of our method for generating parameters by reproducing the morphology diagram of a specific diblock copolymer, namely, poly(styrene-b-methyl methacrylate), which has been extensively studied in experiments.

  3. Decomposition driven interface evolution for layers of binary mixtures. III. Two-dimensional steady films with flat and modulated surfaces

    NASA Astrophysics Data System (ADS)

    Bribesh, Fathi A. M.; Fraštia, Ľubor; Thiele, Uwe

    2012-06-01

    We study two-dimensional steady concentration and film thickness profiles for isothermal free surface films of a binary liquid mixture on a solid substrate employing model-H that couples the diffusive transport of the components of the mixture (convective Cahn-Hilliard equation) and the transport of momentum (Navier-Stokes-Korteweg equations). The analysis is based on minimising the underlying free energy equivalent to solving the static limit of model-H. Additionally, the linear stability (in time) of relevant layered films is analyzed. This allows for a comparison of the position of certain branching points in the bifurcation diagrams of steady solutions with the value predicted as onset of a linear instability. Results are presented for the cases of (i) a flat film without energetic bias at the free surface, (ii) a flat film with energetic bias, (iii) a height-modulated film without energetic bias, and (iv) a height-modulated film with energetic bias. In all cases we discuss symmetries of the various steady solutions allowing us to order them and to infer properties of solution branches and relations between them.

  4. Comparative study of novel versus conventional two-wavelength spectrophotometric methods for analysis of spectrally overlapping binary mixture.

    PubMed

    Lotfy, Hayam M; Hegazy, Maha A; Rezk, Mamdouh R; Omran, Yasmin Rostom

    2015-09-01

    Smart spectrophotometric methods have been applied and validated for the simultaneous determination of a binary mixture of chloramphenicol (CPL) and prednisolone acetate (PA) without preliminary separation. Two novel methods have been developed; the first method depends upon advanced absorbance subtraction (AAS), while the other method relies on advanced amplitude modulation (AAM); in addition to the well established dual wavelength (DW), ratio difference (RD) and constant center coupled with spectrum subtraction (CC-SS) methods. Accuracy, precision and linearity ranges of these methods were determined. Moreover, selectivity was assessed by analyzing synthetic mixtures of both drugs. The proposed methods were successfully applied to the assay of drugs in their pharmaceutical formulations. No interference was observed from common additives and the validity of the methods was tested. The obtained results have been statistically compared to that of official spectrophotometric methods to give a conclusion that there is no significant difference between the proposed methods and the official ones with respect to accuracy and precision. PMID:25909908

  5. Generalization and discrimination tasks yield concordant measures of perceived distance between odours and their binary mixtures in larval Drosophila

    PubMed Central

    Chen, Yi-chun; Gerber, Bertram

    2014-01-01

    Similarity between odours is notoriously difficult to measure. Widely used behavioural approaches in insect olfaction research are cross-adaptation, masking, as well as associative tasks based on olfactory learning and the subsequent testing for how specific the established memory is. A concern with such memory-based approaches is that the learning process required to establish an odour memory may alter the way the odour is processed, such that measures of perception taken at the test are distorted. The present study was therefore designed to see whether behavioural judgements of perceptual distance are different for two different memory-based tasks, namely generalization and discrimination. We used odour–reward learning in larval Drosophila as a study case. In order to challenge the larvae's olfactory system, we chose to work with binary mixtures and their elements (1-octanol, n-amyl acetate, 3-octanol, benzaldehyde and hexyl acetate). We determined the perceptual distance between each mixture and its elements, first in a generalization task, and then in a discrimination task. It turns out that scores of perceptual distance are correlated between both tasks. A re-analysis of published studies looking at element-to-element perceptual distances in larval reward learning and in adult punishment learning confirms this result. We therefore suggest that across a given set of olfactory stimuli, associative training does not grossly alter the pattern of perceptual distances. PMID:24920835

  6. Simultaneous determination of mebeverine hydrochloride and chlordiazepoxide in their binary mixture using novel univariate spectrophotometric methods via different manipulation pathways

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam M.; Fayez, Yasmin M.; Michael, Adel M.; Nessim, Christine K.

    2016-02-01

    Smart, sensitive, simple and accurate spectrophotometric methods were developed and validated for the quantitative determination of a binary mixture of mebeverine hydrochloride (MVH) and chlordiazepoxide (CDZ) without prior separation steps via different manipulating pathways. These pathways were applied either on zero order absorption spectra namely, absorbance subtraction (AS) or based on the recovered zero order absorption spectra via a decoding technique namely, derivative transformation (DT) or via ratio spectra namely, ratio subtraction (RS) coupled with extended ratio subtraction (EXRS), spectrum subtraction (SS), constant multiplication (CM) and constant value (CV) methods. The manipulation steps applied on the ratio spectra are namely, ratio difference (RD) and amplitude modulation (AM) methods or applying a derivative to these ratio spectra namely, derivative ratio (DD1) or second derivative (D2). Finally, the pathway based on the ratio spectra of derivative spectra is namely, derivative subtraction (DS). The specificity of the developed methods was investigated by analyzing the laboratory mixtures and was successfully applied for their combined dosage form. The proposed methods were validated according to ICH guidelines. These methods exhibited linearity in the range of 2-28 μg/mL for mebeverine hydrochloride and 1-12 μg/mL for chlordiazepoxide. The obtained results were statistically compared with those of the official methods using Student t-test, F-test, and one way ANOVA, showing no significant difference with respect to accuracy and precision.

  7. Ultrasonic velocity and absorption study of binary mixtures of cyclohexane with acrylonitrile by interferometric method at different frequencies

    NASA Astrophysics Data System (ADS)

    Pawar, N. R.; Chimankar, O. P.; Bhandakkar, V. D.; Padole, N. N.

    2012-12-01

    The ultrasonic velocity (u), absorption (α), density (ρ), and viscosity (η) has been measured at different frequencies (1MHz to 10MHz) in the binary mixtures of cyclohexane with acrylonitriile over the entire range of composition at temperature 303K. Vander Waal's constant (b), adiabatic compressibility (βa), acoustic impedance (Z), molar volume (V), free length (Lf), free volume, internal pressure, intermolecular radius and relative association have been also calculated. A special application for acrylonitrile is in the manufacture of carbon fibers. These are produced by paralysis of oriented poly acrylonitrile fibers and are used to reinforce composites for high-performance applications in the aircraft, defense and aerospace industries. Other applications of acrylonitrile are in the production of fatty amines, ion exchange resins and fatty amine amides used in cosmetics, adhesives, corrosion inhibitors and water-treatment resins. Cyclohexane derivatives can be used for the synthesis of pharmaceuticals, dyes, herbicides, plant growth regulator, plasticizers, rubber chemicals, nylon, cyclamens and other organic compounds. In the view of these extensive applications of acrylonitrile and cyclohexane in the engineering process, textile and pharmaceutical industries present study provides qualitative information regarding the nature and strength of interaction in the liquid mixtures through derive parameters from ultrasonic velocity and absorption measurement.

  8. Spectrophotometric methods manipulating ratio spectra for simultaneous determination of binary mixtures with sever overlapping spectra: A comparative study

    NASA Astrophysics Data System (ADS)

    Moustafa, H.; Fayez, Y.

    2014-12-01

    Three simple, specific and accurate spectrophotometric methods manipulating ratio spectra were developed and validated for simultaneous determination of Rabeprazole sodium (RB) and Domperidone (DP) in their binary mixture without prior separation. Method A, is constant center spectrophotometric method (CC). Method B is a ratio difference spectrophotometric one (RD), while method C is a combined ratio isoabsorptive point-ratio difference method (RIRD). Linear correlations were obtained in range of 4-44 μg/mL for both Rabeprazole sodium and Domperidone. The mean percentage recoveries of RB were 99.69 ± 0.504 for method A, 99.83 ± 0.483 for (B) and 100.31 ± 0.499 for (C), respectively, and that of DP were 99.52 ± 0.474 for method A, 100.12 ± 0.505 for (B) and 100.16 ± 0.498 for (C), respectively. Specificity was investigated by analysis of laboratory prepared mixtures containing the cited drugs and their combined tablet dosage form. The obtained results were statistically compared with those obtained by the reported methods, showing no significant difference with respect to accuracy and precision. The three methods were validated as per ICH guidelines and can be applied for routine analysis in quality control laboratories.

  9. Development and validation of TLC-densitometric method for simultaneous determination of two binary antihypertensive mixtures containing felodipine in fixed dose combinations.

    PubMed

    Mohamed, Abdel-Maaboud I; Omar, Mahmoud A; Hammad, Mohamed A; Mohamed, Abobakr A

    2016-02-01

    A new densitometric thin-layer chromatographic method has been developed for simultaneous determination of two binary mixtures containing felodipine in combination with either metoprolol (mixture I) or ramipril (mixture II). The two mixtures were quantitatively separated on 60 F254 silica gel plates using toluene-ethyl acetate-methanol-ammonia as mobile phase with UV detection at 233 and 229 nm for mixtures I and II, respectively. The studied drugs were satisfactorily resolved with retention factor (Rf ) values of 0.34 ± 0.03 and 0.65 ± 0.03 for metoprolol and felodipine, respectively, in mixture I and 0.35 ± 0.03 and 0.74 ± 0.03 for ramipril and felodipine, respectively, in mixture II. Linearity ranges were 2000-7000 and 200-700 ng/band for metoprolol and felodipine, respectively, in mixture I and 1500-4000 ng/band for both ramipril and felodipine in mixture II. Correlation coefficient (r) values were 0.9968 for both metoprolol and felodipine in mixture I and 0.9993 for ramipril and 0.9989 for felodipine in mixture II. The method has been validated according to International Conference on Harmonization guidelines and has been successfully applied for determination of the studied drugs in their dosage forms without interference from commonly encountered excipients. PMID:26096877

  10. Long-term effects of a binary mixture of perfluorooctane sulfonate (PFOS) and bisphenol A (BPA) in zebrafish (Danio rerio).

    PubMed

    Keiter, Su; Baumann, L; Färber, H; Holbech, H; Skutlarek, D; Engwall, M; Braunbeck, T

    2012-08-15

    Previous in vitro studies have reported the potential of perfluorooctane sulfonate (PFOS) to increase the toxicity of other compounds. Given the complex nature of mixtures of environmental pollutants in aquatic systems together with the persistent and bioaccumulative properties of PFOS, this study aimed at evaluating the long-term effects and toxicity-increasing behavior of PFOS in vivo using the zebrafish (Danio rerio). Fish were maintained in flow-through conditions and exposed to single and binary mixtures of PFOS and the endocrine disruptor bisphenol A (BPA) at nominal concentrations of 0.6, 100 and 300 μg/L and 10, 200 and 400 μg/L, respectively. F1 and F2 generations were evaluated from 0 to 180 days post-fertilization (dpf) and F3 generation was evaluated from 0 to 14 dpf. Survival was documented in all generations, whereas growth, fecundity, fertilization rate, histological alterations (in liver, thyroid and gonads) and vitellogenin (Vtg) induction in males were evaluated for F1 and F2 generations. Data for growth were collected at 30, 90 and 180 dpf and data for histological evaluations and Vtg induction were analyzed at 90 and 180 dpf. No significant effects on survival were seen in the F1 generation in any treatment following 180 d exposure; however, in the F2 generation, 300 μg/L PFOS both alone and in combination with BPA (10, 200 and 400 μg/L) induced 100% mortality within 14 dpf. PFOS (0.6 and 300 μg/L) did not increase the Vtg-inducing potential of BPA (10, 200 and 400 μg/L) in a binary mixture. In contrast, binary mixtures with 300 μg/L PFOS suppressed the Vtg levels in F1 males at 90 dpf when compared to single BPA exposures. Whereas the lowest tested PFOS concentration (0.6 μg/L) showed an estrogenic potential in terms of significant Vtg induction, Vtg levels were generally found to decrease with increasing PFOS-exposure in both F1 and F2 generations. In F1 generation, BPA-exposure was found to increase Vtg levels in a concentration

  11. Ecotoxicological evaluation of propranolol hydrochloride and losartan potassium to Lemna minor L. (1753) individually and in binary mixtures.

    PubMed

    Godoy, Aline A; Kummrow, Fábio; Pamplin, Paulo Augusto Z

    2015-07-01

    Antihypertensive pharmaceuticals, including the beta-blockers, are one of the most detected therapeutic classes in the environment. The ecotoxicity of propranolol hydrochloride and losartan potassium was evaluated, both individually and combined in a binary mixture, by using the Lemna minor growth inhibition test. The endpoints evaluated in the single-pharmaceutical tests were frond number, total frond area and fresh weight. For the evaluation of the mixture toxicity, the selected endpoint was frond number. Water quality criteria values (WQC) were derived for the protection of freshwater and saltwater pelagic communities regarding the effects induced by propranolol and losartan using ecotoxicological data from the literature, including our data. The risks associated with both pharmaceutical effects on non-target organisms were quantified through the measured environmental concentration (MEC)/predicted-no-effect concentration (PNEC) ratios. For propranolol, the total frond area was the most sensitive endpoint (EC50 = 77.3 mg L(-1)), while for losartan there was no statistically significant difference between the endpoints. Losartan is only slightly more toxic than propranolol. Both concentration addition and independent action models overestimated the mixture toxicity of the pharmaceuticals at all the effect concentration levels evaluated. The joint action of both pharmaceuticals showed an antagonistic interaction to L. minor. Derived WQC assumed lower values for propranolol than for losartan. The MEC/PNEC ratios showed that propranolol may pose a risk for the most sensitive aquatic species, while acceptable risks posed by losartan were estimated for most of aquatic matrices. To the authors knowledge these are the first data about losartan toxicity for L. minor. PMID:25847105

  12. 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

  13. A Binary Eutectic Mixture of TNAZ and R-Salt Explosives

    NASA Astrophysics Data System (ADS)

    Sandstrom, Mary; Manner, Virginia; Pemberton, Steven; Lloyd, Joseph; Tappan, Bryce

    2011-06-01

    TNAZ is a high performing explosive that is melt castable. However, the casting process can be problematic since TNAZ has a high vapor pressure exacerbated by a fairly high melting temperature. In order to mitigate the ill effects of its high vapor pressure, including a lower melting explosive was explored by making a series of mixtures of TNAZ and R-Salt. Initially, a eutectic temperature and composition was theoretically determined. Then a phase diagram was constructed from a series and mixtures by differential scanning calorimetery (DSC). The vapor pressure of the eutectic composition was determined by thermogravimetric analysis (TGA). Cylinder testing of the eutectic composition was carried out in copper tubes, 5'' long with 1/2 ``inner diameter and 1/16'' thick walls. The detonation velocity was measured using wire switches along the cylinder length and the expanding wall velocity was measured using PDV gauges. A rough evaluation of JWL equation-of-state parameters has been carried out. A more detailed evaluation is in progress.

  14. Block copolymer blend phase behavior: Binary diblock blends and amphiphilic block copolymer/epoxy mixtures

    NASA Astrophysics Data System (ADS)

    Lipic, Paul Martin

    The phase behavior of block copolymers and block copolymer blends has provided an extensive amount of exciting research and industrial applications for over thirty years. However, the unique nanoscale morphologies of microphase separated block copolymer systems is still not completely understood. This thesis examines the phase behavior of diblock copolymers and binary diblock copolymer blends in the strong segregation limit (SSL), and blends of an amphiphilic diblock copolymer with an epoxy resin. Studies of high molecular weight (˜84,000 g/mole) poly(ethylene)-poly(ethyl ethylene) (PE-PEE) diblock copolymers probed the ability of block copolymers to reach equilibrium in the SSL. Samples of pure diblocks or binary diblock blends prepared using different preparation techniques (solvent casting or precipitation) had different phase behaviors, as identified with transmission electron microscopy (TEM) and small-angle x-ray scattering (SAXS), confirming non-equilibrium phase behavior. This non-equilibrium behavior was metastable, and these results identify the caution that should be used when claiming equilibrium phase behavior in the SSL. Blends of an amphiphilic diblock copolymer, poly(ethylene oxide)-poly(ethylene-alt-propylene) (PEO-PEP) with a polymerizable epoxy resin selectively miscible with PEO, poly(Bisphenol-A-co-epichlorohydrin), supported theoretical calculations and increased the understanding of block copolymer/homopolymer blends. These blends formed different ordered structures (lamellae, bicontinuous cubic gyroid, hexagonally packed cylinders, cubic and hexagonally packed spheres) as well as a disordered spherical micellar structure, identified with SAXS and rheological measurements. Addition of hardener, methylene dianiline, to the system resulted in cross-linking of the epoxy resin and formation of a thermoset material. Macrophase separation between the epoxy and block copolymer did not occur, but local expulsion of the PEO from the epoxy was

  15. Densities and viscosities for binary mixtures of N-methyldiethanolamine + triethylene glycol monomethyl ether from 25 C to 70 C and N-methyldiethanolamine + ethanol mixtures at 40 C

    SciTech Connect

    Henni, A.; Maham, Y.; Tontiwachwuthikul, P.; Chakma, A.; Mather, A.E.

    2000-04-01

    Recent studies done on the absorption and desorption of acid gases (CO{sub 2}, H{sub 2}S) from natural gas, petroleum, and ammonia synthesis streams have shown that aqueous solutions of N-methyldiethanolamine (MDEA) can be used effectively for the selective removal of H{sub 2}S. This paper reports the measured values of the density and viscosity of binary mixtures of N-methyldiethanolamine (MDEA) and triethylene glycol monomethyl ether (TEGMME) at five temperatures in the range 25 C to 70 C over the whole concentration range. The authors also report the density and viscosity of the binary mixture MDEA + ethanol at 40 C. The results are compared with data for aqueous mixtures and other alkanolamines when these are available. The derived excess molar volumes and viscosity deviations were correlated as a function of composition. The Grunberg-Nissan interaction energy constants are also reported.

  16. Studies of convection in a solidifying binary mixture at reduced gravity

    NASA Technical Reports Server (NTRS)

    Antar, B. N.; Collins, F.

    1983-01-01

    A great deal of interest was generated recently in the possibility of producing new materials in the reduced gravity environment provided during the forthcoming missions of Spacelab. The range of possibilities extend from producing large crystals of uniform properties to manufacturing materials with unique properties. Most of these processes involve the solidification of materials from the liquid state. Convective motions within the liquid during solidification can influence the local material composite and the shape of the solid-liquid interface which may result in solids with non-uniform properties and crystal defects. The microgravity environment of Spacelab is being viewed as one in which the buoyancy forces are eliminated so that convection driven by thermal gradients does occur, resulting in an improved solidification process. However, convection may occur for other reasons and whether convection is negligible or not during solidification constitutes processing in low-gravity environment. Little information exists presently on convection during solidification under such circumstances. A continuation of an analytical investigation into the nature of convective motion in a binary liquid layer due to surface tension forces during its solidification is reported. The onset of convection will be determined through a stability analysis which is described.

  17. Enthalpies of Mixing for Binary Liquid Mixtures of Monocarbonic Acids and Alcohols

    NASA Astrophysics Data System (ADS)

    Haase, R.; Lorenz, R.

    1985-09-01

    We present the results of calorimetric measurements of the molar enthalpy of mixing (molar excess enthalpy) H¯E as a function of temperature and composition (described by the mole fraction x of the alcohol) for 18 binary liquid systems consisting of an aliphatic monocarbonic acid (formic, acetic, propionic, butyric, valeric acids) and an aliphatic alcohol (methanol, ethanol, 1-propanol. 2-propanol, 1-butanol, 2-methyl-2-propanol). The experiments cover temperatures between 298.15 K and 318.15 K and the whole range of compositions (usually nearly 40 compositions at each temperature). There is a great variety of behaviour as far as the function H¯E(x) for T= const is concerned. Many systems show endothermic mixing ( H¯E > 0), other systems exothermic mixing (H¯E < 0), again other systems partly endothermic, partly exothermic behaviour. There is one case (acetic acid + 2-methyl-2-propanol) where H¯E(x) changes its sign twice and the molar excess heat capacity exhibits unusually large negative values.

  18. Is there a relation between excess volume and miscibility in binary liquid mixtures?

    PubMed

    Amore, S; Horbach, J; Egry, I

    2011-01-28

    Molecular dynamics computer simulations of various symmetrical Lennard-Jones (LJ) models are used to elucidate how the excess volume in dense binary liquids is related to the microscopic interactions between the particles. Both fully miscible systems and systems with a liquid-liquid phase separation are considered by varying systematically the parameters of the LJ potentials. The phase diagrams with the critical points of the demixing systems are determined by means of Monte Carlo simulations in the semigrandcanonical ensemble. The different LJ models are investigated by computing Bhatia-Thornton structure factors, enthalpy of mixing, and excess volume. For the demixing systems, the LJ models show a positive enthalpy of mixing while it is negative for the systems without miscibility gap. In contrast to that, the excess volume can be negative and positive for both demixing and fully miscible systems. This behavior is explained in terms of the interplay between the repulsive and attractive terms in the LJ potential. Whereas repulsions dominate the packing of particles as reflected by the number-density structure factor, the chemical ordering and thus the concentration structure factor are strongly affected by attractive interactions, leading to the "anomalies" of the excess volume. PMID:21280756

  19. Pervaporative removal of organics from water using hydrophobic membranes. Binary mixtures

    SciTech Connect

    Kujawski, W.

    2000-01-01

    Results of pervaporation experiments are presented for the separation of several polar and nonpolar organic solvents from their aqueous solutions. Three membranes were evaluated: a polydimethylsiloxane (PERVAP-1060) membrane, a PDMS ZSM-5 zeolite filled (PERVAP-1070) membrane, and a poly(ether-block-amide) (PEBAX-4033) membrane. The effect of feed composition on flux and selectivity was also investigated. Performance parameters of a given membrane depended both on the kind of the organic solvent and the feed composition. The PERVAP-1070 membrane exhibited the highest selectivity with a separation factor over 900 in contact with a water-butyl acetate mixture. Polar solvents like methanol were also preferentially separated from aqueous solutions, but the separation factors were close to those obtained from liquid-vapor equilibria data. Permeate fluxes of organics increased with increasing feed concentration. Synergetic effects between water and organics fluxes were also observed.

  20. Simultaneous determination of some cholesterol-lowering drugs in their binary mixture by novel spectrophotometric methods

    NASA Astrophysics Data System (ADS)

    Lotfy, Hayam Mahmoud; Hegazy, Maha Abdel Monem

    2013-09-01

    Four simple, specific, accurate and precise spectrophotometric methods manipulating ratio spectra were developed and validated for simultaneous determination of simvastatin (SM) and ezetimibe (EZ) namely; extended ratio subtraction (EXRSM), simultaneous ratio subtraction (SRSM), ratio difference (RDSM) and absorption factor (AFM). The proposed spectrophotometric procedures do not require any preliminary separation step. The accuracy, precision and linearity ranges of the proposed methods were determined, and the methods were validated and the specificity was assessed by analyzing synthetic mixtures containing the cited drugs. The four methods were applied for the determination of the cited drugs in tablets and the obtained results were statistically compared with each other and with those of a reported HPLC method. The comparison showed that there is no significant difference between the proposed methods and the reported method regarding both accuracy and precision.

  1. Instability in evaporative binary mixtures. II. The effect of Rayleigh convection

    NASA Astrophysics Data System (ADS)

    Uguz, K. E.; Narayanan, R.

    2012-09-01

    Multi-component mixtures undergoing phase change in the presence of gravity depict instabilities whose physical origins depend upon the heating arrangement. Calculations on evaporative instability in closed systems using the example of low weight alcohols predict that cellular patterns would occur when the system is heated from above provided that the liquid depths are small compared to the vapor depths. The cellular patterns give way to long wavelength modes when the liquid depths are large because the solutal convection is dominant. When heated from below, cellular patterns can always be obtained regardless of the phase depths. Moreover, for this heating arrangement the physics shows thermal dominance at large wave numbers and solutal dominance at small wave numbers.

  2. Simultaneous determination of some anti-hypertensive drugs in their binary mixture by novel spectrophotometric methods

    NASA Astrophysics Data System (ADS)

    Fayez, Yasmin Mohammed

    2014-11-01

    Three simple, accurate and precise spectrophotometric methods manipulating ratio spectra were developed and validated for simultaneous determination of Irbesartan (IRB) and Hydrochlorothiazide (HCT) without prior separation namely; ratio subtraction coupled with constant multiplication (RS-CM), ratio difference (RD) and constant center (CC). The accuracy, precision and linearity ranges of the proposed methods were determined, and the methods were validated and the specificity was assessed by analyzing synthetic mixtures containing the cited drugs. The three methods were applied for the determination of the cited drugs in tablets and the obtained results were statistically compared with each other and with those of official methods. The comparison showed that there is no significant difference between the proposed methods and the official methods regarding both accuracy and precision.

  3. Three different methods for determination of binary mixture of Amlodipine and Atorvastatin using dual wavelength spectrophotometry.

    PubMed

    Darwish, Hany W; Hassan, Said A; Salem, Maissa Y; El-Zeany, Badr A

    2013-03-01

    Three simple, specific, accurate and precise spectrophotometric methods depending on the proper selection of two wavelengths are developed for the simultaneous determination of Amlodipine besylate (AML) and Atorvastatin calcium (ATV) in tablet dosage forms. The first method is the new Ratio Difference method, the second method is the Bivariate method and the third one is the Absorbance Ratio method. The calibration curve is linear over the concentration range of 4-40 and 8-32 μg/mL for AML and ATV, respectively. These methods are tested by analyzing synthetic mixtures of the above drugs and they are applied to commercial pharmaceutical preparation of the subjected drugs. Methods are validated according to the ICH guidelines and accuracy, precision, repeatability and robustness are found to be within the acceptable limit. The mathematical explanation of the procedures is illustrated. PMID:23266678

  4. Three different methods for determination of binary mixture of Amlodipine and Atorvastatin using dual wavelength spectrophotometry

    NASA Astrophysics Data System (ADS)

    Darwish, Hany W.; Hassan, Said A.; Salem, Maissa Y.; El-Zeany, Badr A.

    2013-03-01

    Three simple, specific, accurate and precise spectrophotometric methods depending on the proper selection of two wavelengths are developed for the simultaneous determination of Amlodipine besylate (AML) and Atorvastatin calcium (ATV) in tablet dosage forms. The first method is the new Ratio Difference method, the second method is the Bivariate method and the third one is the Absorbance Ratio method. The calibration curve is linear over the concentration range of 4-40 and 8-32 μg/mL for AML and ATV, respectively. These methods are tested by analyzing synthetic mixtures of the above drugs and they are applied to commercial pharmaceutical preparation of the subjected drugs. Methods are validated according to the ICH guidelines and accuracy, precision, repeatability and robustness are found to be within the acceptable limit. The mathematical explanation of the procedures is illustrated.

  5. Three different spectrophotometric methods manipulating ratio spectra for determination of binary mixture of Amlodipine and Atorvastatin

    NASA Astrophysics Data System (ADS)

    Darwish, Hany W.; Hassan, Said A.; Salem, Maissa Y.; El-Zeiny, Badr A.

    2011-12-01

    Three simple, specific, accurate and precise spectrophotometric methods manipulating ratio spectra are developed for the simultaneous determination of Amlodipine besylate (AM) and Atorvastatin calcium (AT) in tablet dosage forms. The first method is first derivative of the ratio spectra ( 1DD), the second is ratio subtraction and the third is the method of mean centering of ratio spectra. The calibration curve is linear over the concentration range of 3-40 and 8-32 μg/ml for AM and AT, respectively. These methods are tested by analyzing synthetic mixtures of the above drugs and they are applied to commercial pharmaceutical preparation of the subjected drugs. Standard deviation is <1.5 in the assay of raw materials and tablets. Methods are validated as per ICH guidelines and accuracy, precision, repeatability and robustness are found to be within the acceptable limit.

  6. Water structure for suspensions of saponite in binary aqueous mixtures as probed by NMR

    SciTech Connect

    Grandjean, J.; Laszlo, P.

    1995-10-01

    Surface properties of swelling clays (smectites) are crucial to such diverse applications as drilling for oil, paints, water treatment, or chemical reactions. The structure at the liquid/solid interface of a lithiated saponite is monitored by NMR methods. For clay suspensions in water/methanol mixtures, the two components at the clay interface are correlated: the liquid structure is enhanced until alcohol molar ratios of ca. 0.1. With acetone as a cosolvent, water and acetone molecules behave independently. As the ketone content increases, acetone molecules penetrate more extensively into the interfacial region, solvating exchangeable lithium ions; water molecules at the clay surface are not significantly affected. A similar behavior is observed with acetonitrile as a cosolvent.

  7. Viscoelasticity of ambient-temperature nematic binary mixtures of bent-core and rodlike molecules.

    PubMed

    Sathyanarayana, P; Jampani, V S R; Skarabot, M; Musevic, I; Le, K V; Takezoe, H; Dhara, S

    2012-01-01

    We report measurements of the temperature variations of physical parameters in ambient-temperature nematic liquid crystal mixtures of bent-core (BC) and rodlike molecules (5CB): birefringence Δn; static dielectric constants ε(||) and ε(⊥); splay K(11) and bend K(33) elastic constants; rotational viscosity γ(1); and diffusion coefficients D(||) and D(⊥) of a microsphere. Both Δn and ε(||) decreases rapidly with increasing BC concentration, whereas ε(⊥) remains almost constant. At a shifted temperature (e.g., T-T(NI)=-10 °C), K(11) increases by ~50% and K(33) decreases by ~80% compared to pure 5CB when the BC concentration is increased to ~43 mol % in the mixture. Viscosities parallel and perpendicular to the director, η(||), η(⊥), which are nearly equal to the Miesowicz viscosities η(2) and η(3), respectively, were obtained by D(||) and D(⊥) using the Stokes-Einstein relation. Both the viscosities at room temperature increase by 60 and 50 times, respectively, whereas γ(1) increases by 180 times (at ~43 mol %) compared to the corresponding values of pure 5CB. The stiffening of K(11) and exorbitantly large enhancement in all the viscosities at a higher mol % of BC indicate that the viscoelastic properties are highly impacted by the presence of smectic clusters of BC molecules that results from the restricted free rotation of the molecules along the bow axis in the nematic phase. A possible attachment model of smectic type clusters of BC molecules surrounding the microparticle is presented. PMID:22400578

  8. Viscoelasticity of ambient-temperature nematic binary mixtures of bent-core and rodlike molecules

    NASA Astrophysics Data System (ADS)

    Sathyanarayana, P.; Jampani, V. S. R.; Skarabot, M.; Musevic, I.; Le, K. V.; Takezoe, H.; Dhara, S.

    2012-01-01

    We report measurements of the temperature variations of physical parameters in ambient-temperature nematic liquid crystal mixtures of bent-core (BC) and rodlike molecules (5CB): birefringence Δn; static dielectric constants ɛ|| and ɛ⊥; splay K11 and bend K33 elastic constants; rotational viscosity γ1; and diffusion coefficients D|| and D⊥ of a microsphere. Both Δn and ɛ|| decreases rapidly with increasing BC concentration, whereas ɛ⊥ remains almost constant. At a shifted temperature (e.g., T-TNI=-10∘C), K11 increases by ˜50% and K33 decreases by ˜80% compared to pure 5CB when the BC concentration is increased to ˜43 mol % in the mixture. Viscosities parallel and perpendicular to the director, η||, η⊥, which are nearly equal to the Miesowicz viscosities η2 and η3, respectively, were obtained by D|| and D⊥ using the Stokes-Einstein relation. Both the viscosities at room temperature increase by 60 and 50 times, respectively, whereas γ1 increases by 180 times (at ˜43 mol %) compared to the corresponding values of pure 5CB. The stiffening of K11 and exorbitantly large enhancement in all the viscosities at a higher mol % of BC indicate that the viscoelastic properties are highly impacted by the presence of smectic clusters of BC molecules that results from the restricted free rotation of the molecules along the bow axis in the nematic phase. A possible attachment model of smectic type clusters of BC molecules surrounding the microparticle is presented.

  9. Liquid-liquid equilibria of binary mixtures of a lipidic ionic liquid with hydrocarbons.

    PubMed

    Green, Blane D; Badini, Alexander J; O'Brien, Richard A; Davis, James H; West, Kevin N

    2016-01-28

    Although structurally diverse, many ionic liquids (ILs) are polar in nature due to the strong coulombic forces inherent in ionic compounds. However, the overall polarity of the IL can be tuned by incorporating significant nonpolar content into one or more of the constituent ions. In this work, the binary liquid-liquid equilibria of one such IL, 1-methyl-3-(Z-octadec-9-enyl)imidazolium bistriflimide, with several hydrocarbons (n-hexane, n-octane, n-decane, cyclohexane, methylcyclohexane, 1-octene) is measured over the temperature range 0-70 °C at ambient pressure using a combination of cloud point and gravimetric techniques. The phase behavior of the systems are similar in that they exhibit two phases: one that is 60-90 mole% hydrocarbon and a second phase that is nearly pure hydrocarbon. Each phase exhibits a weak dependence of composition on temperature (steep curve) above ∼10 °C, likely due to swelling and restructuring of the nonpolar nano-domains of the IL being limited by energetically unfavorable restructuring in the polar nano-domains. The solubility of the n-alkanes decreases with increasing size (molar volume), a trend that continues for the cyclic alkanes, for which upper critical solution temperatures are observed below 70 °C. 1-Octene is found to be more soluble than n-octane, attributable to a combination of its lower molar volume and slightly higher polarity. The COSMO-RS model is used to predict the T-x'-x'' diagrams and gives good qualitative agreement of the observed trends. This work presents the highest known solubility of n-alkanes in an IL to date and tuning the structure of the ionic liquid to maximize the size/shape trends observed may provide the basis for enhanced separations of nonpolar species. PMID:26700653

  10. Critical Temperature Differences of a Standing Wave Thermoacoustic Prime Mover with Various Helium-Based Binary Mixture Working Gases

    NASA Astrophysics Data System (ADS)

    Setiawan, Ikhsan; Nohtomi, Makoto; Katsuta, Masafumi

    2015-06-01

    Thermoacoustic prime movers are energy conversion devices which convert thermal energy into acoustic work. The devices are environmentally friendly because they do not produce any exhaust gases. In addition, they can utilize clean energy such as solar-thermal energy or waste heat from internal combustion engines as the heat sources. The output mechanical work of thermoacoustic prime movers are usually used to drive a thermoacoustic refrigerator or to generate electricity. A thermoacoustic prime mover with low critical temperature difference is desired when we intend to utilize low quality of heat sources such as waste heat and sun light. The critical temperature difference can be significantly influenced by the kinds of working gases inside the resonator and stack's channels of the device. Generally, helium gas is preferred as the working gas due to its high sound speed which together with high mean pressure will yield high acoustic power per unit volume of the device. Moreover, adding a small amount of a heavy gas to helium gas may improve the efficiency of thermoacoustic devices. This paper presents numerical study and estimation of the critical temperature differences of a standing wave thermoacoustic prime mover with various helium-based binary-mixture working gases. It is found that mixing helium (He) gas with other common gases, namely argon (Ar), nitrogen (N2), oxygen (O2), and carbon dioxide (CO2), at appropriate pressures and molar compositions, reduce the critical temperature differences to lower than those of the individual components of the gas mixtures. In addition, the optimum mole fractions of Hegas which give the minimum critical temperature differences are shifted to larger values as the pressure increases, and tends to be constant at around 0.7 when the pressure increases more than 2 MPa. However, the minimum critical temperature differences slightly increase as the pressure increases to higher than 1.5 MPa. Furthermore, we found that the lowest

  11. Occurrence of associative effects between grasses and legumes in binary mixtures on in vitro rumen fermentation characteristics.

    PubMed

    Niderkorn, V; Baumont, R; Le Morvan, A; Macheboeuf, D

    2011-04-01

    When animals are fed a grass and legume mixture, digestive interactions can occur in the rumen between the substrates contained in the different plants, and the response of the animal to the combination of forages can differ from the balanced median values of their components considered individually. Our objective was to assess the associative effects between temperate forages in 8 grass-legume binary combinations on in vitro rumen fermentation characteristics to highlight synergies or antagonisms in terms of nutritional and environmental impacts. Two grasses (cocksfoot, CF; ryegrass, RG) and 4 legume species (alfalfa, A; white clover, WC; red clover, RC; sainfoin, SAN) were incubated alone and in grass-legume mixture (1:1, wt/wt) in batches containing buffered rumen fluid during 3.5 and 24 h. For each substrate and each incubation time, parameters describing the degradation of the energetic and nitrogenous compounds and their partition into fermentation end products were measured. Data were subjected to ANOVA using a mixed procedure to test quadratic contrasts. At 3.5 h of incubation, many quadratic effects were observed. The presence of A, WC, or RC in mixtures quadratically increased the NH(3)-N production (up to +28% when compared with the calculated value, P < 0.001), whereas the presence of condensed tannin (CT) activity in SAN considerably decreased it (up to -67%, quadratic effect, P < 0.001) and the N disappearance. To a lesser extent, the presence of SAN reduced the proportion of methane in the gas produced (up to 7%, quadratic effect, P = 0.018). Generally, the degradation of OM and NDF was not stimulated by mixing grass and legume, except for SAN. However, the presence of SAN severely impaired the NDF digestion at the early phase of fermentation. At 24 h of incubation, few associative effects were observed in comparison with those observed at 3.5 h of incubation, but the effect of CT of SAN on N metabolism was still clearly present. This study shows

  12. Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol.

    PubMed

    Chen, Mo; Pendrill, Robert; Widmalm, Göran; Brady, John W; Wohlert, Jakob

    2014-10-14

    Room temperature ionic liquids (ILs) of the imidazolium family have attracted much attention during the past decade for their capability to dissolve biomass. Besides experimental work, numerous compuational studies have been concerned with the physical properties of both neat ILs and their interactions with different solutes, in particular, carbohydrates. Many classical force fields designed specifically for ILs have been found to yield viscosities that are too high for the liquid state, which has been attributed to the fact that the effective charge densities are too high due to the lack of electronic polarizability. One solution to this problem has been uniform scaling of the partial charges by a scale factor in the range 0.6-0.9, depending on model. This procedure has been shown to improve the viscosity of the models, and also to positively affect other properties, such as diffusion constants and ionic conductivity. However, less attention has been paid to how this affects the overall thermodynamics of the system, and the problems it might create when the IL models are combined with other force fields (e.g., for solutes). In the present work, we employ three widely used IL force fields to simulate 1-n-butyl-3-methyl-imidazolium chloride in both the crystal and the liquid state, as well as its binary mixture with ethanol. Two approaches are used: one in which the ionic charge is retained at its full integer value and one in which the partial charges are uniformly reduced to 85%. We investigate and calculate crystal and liquid structures, molar heat capacities, heats of fusion, self-diffusion constants, ionic conductivity, and viscosity for the neat IL, and ethanol activity as a function of ethanol concentration for the binary mixture. We show that properties of the crystal are less affected by charge scaling compared to the liquid. In the liquid state, transport properties of the neat IL are generally improved by scaling, whereas values for the heat of fusion are

  13. Formation of double glass in binary mixtures of anisotropic particles: Dynamic heterogeneities in rotations and displacements

    NASA Astrophysics Data System (ADS)

    Takae, Kyohei; Onuki, Akira

    2013-10-01

    We study glass behavior in a mixture of elliptic and circular particles in two dimensions at low temperatures using an orientation-dependent Lennard-Jones potential. The ellipses have a mild aspect ratio (˜1.2) and tend to align at low temperatures, while the circular particles play the role of impurities disturbing the ellipse orientations at a concentration of 20%. These impurities have a size smaller than that of the ellipses and attract them in the homeotropic alignment. As a result, the coordination number around each impurity is mostly 5 or 4 in glassy states. We realize double glass, where both the orientations and the positions are disordered but still hold mesoscopic order. We find a strong heterogeneity in the flip motions of the ellipses, which sensitively depends on the impurity clustering. In our model, a small fraction of the ellipses still undergo flip motions relatively rapidly even at low temperatures. In contrast, the nonflip rotations (with angle changes not close to ±π) are mainly caused by the cooperative configuration changes involving many particles. Then, there arises a long-time heterogeneity in the nonflip rotations closely correlated with the dynamic heterogeneity in displacements.

  14. Formation of double glass in binary mixtures of anisotropic particles: dynamic heterogeneities in rotations and displacements.

    PubMed

    Takae, Kyohei; Onuki, Akira

    2013-10-01

    We study glass behavior in a mixture of elliptic and circular particles in two dimensions at low temperatures using an orientation-dependent Lennard-Jones potential. The ellipses have a mild aspect ratio (∼1.2) and tend to align at low temperatures, while the circular particles play the role of impurities disturbing the ellipse orientations at a concentration of 20%. These impurities have a size smaller than that of the ellipses and attract them in the homeotropic alignment. As a result, the coordination number around each impurity is mostly 5 or 4 in glassy states. We realize double glass, where both the orientations and the positions are disordered but still hold mesoscopic order. We find a strong heterogeneity in the flip motions of the ellipses, which sensitively depends on the impurity clustering. In our model, a small fraction of the ellipses still undergo flip motions relatively rapidly even at low temperatures. In contrast, the nonflip rotations (with angle changes not close to ±π) are mainly caused by the cooperative configuration changes involving many particles. Then, there arises a long-time heterogeneity in the nonflip rotations closely correlated with the dynamic heterogeneity in displacements. PMID:24229182

  15. Microgravity Segregation in Binary Mixtures of Inelastic Spheres Driven by Velocity Fluctuation Gradients

    NASA Technical Reports Server (NTRS)

    Jenkins, James T.; Louge, Michel Y.

    1996-01-01

    We are interested in collisional granular flows of dry materials in reduced gravity. Because the particles interact through collisions, the energy of the particle velocity fluctuations plays an important role in the physics. Here we focus on the separation of grains by properties - size, for example - that is driven by spatial gradients in the fluctuation energy of the grains. The segregation of grains by size is commonly observed in geophysical flows and industrial processes. Segregation of flowing grains can also take place based on other properties, e.g. shape, mass, friction, and coefficient of restitution. Many mechanisms may be responsible for segregation; most of these are strongly influenced by gravity. Here, we outline a mechanism that is independent of gravity. This mechanism may be important but is often obscured in terrestrial grain flows. It is driven by gradients in fluctuation energy. In microgravity, the separation of grains by property will proceed slowly enough to permit flight observations to provide an unambiguous measurement of the transport coefficients associated with the segregation. In this context, we are planning a microgravity shear cell experiment that contains a mixture of two types of spherical grains. The grains will be driven to interact with two different types of boundaries on either sides of the cell. The resulting separation will be observed visually.

  16. Particle interaction of lubricated or unlubricated binary mixtures according to their particle size and densification mechanism.

    PubMed

    Di Martino, Piera; Joiris, Etienne; Martelli, Sante

    2004-09-01

    The aim of this study is to assess an experimental approach for technological development of a direct compression formulation. A simple formula was considered composed by an active ingredient, a diluent and a lubricant. The active ingredient and diluent were selected as an example according to their typical densification mechanism: the nitrofurantoine, a fragmenting material, and the cellulose microcrystalline (Vivapur), which is a typical visco-elastic material, equally displaying good bind and disintegrant properties. For each ingredient, samples of different particle size distribution were selected. Initially, tabletability of pure materials was studied by a rotary press without magnesium stearate. Vivapur tabletability decreases with increase in particle size. The addition of magnesium stearate as lubricant decreases tabletability of Vivapur of greater particle size, while it kept unmodified that of Vivapur of lower particle size. Differences in tabletability can be related to differences in particle-particle interactions; for Vivapur of higher particle size (Vivapur 200, 102 and 101), the lower surface area develops lower surface available for bonds, while for Vivapur of lower particle size (99 and 105) the greater surface area allows high particle proximity favouring particle cohesivity. Nitrofurantoine shows great differences in compression behaviour according to its particle size distribution. Large crystals show poorer tabletability than fine crystals, further decreased by lubricant addition. The large crystals poor tabletability is due to their poor compactibility, in spite of high compressibility and plastic intrinsic deformability; in fact, in spite of the high densification tendency, the nature of the involved bonds is very weak. Nitrofurantoine samples were then mixed with Vivapurs in different proportions. Compression behaviour of binary mixes (tabletability and compressibility) was then evaluated according to diluents proportion in the mixes. The

  17. Reproductive toxicity of binary and ternary mixture combinations of nickel, zinc, and lead to Ceriodaphnia dubia is best predicted with the independent action model.

    PubMed

    Nys, Charlotte; Janssen, Colin R; Blust, Ronny; Smolders, Erik; De Schamphelaere, Karel A C

    2016-07-01

    Metals occur as mixtures in the environment. Risk assessment procedures for metals currently lack a framework to incorporate chronic metal mixture toxicity. In the present study, the toxicity of binary and ternary mixture combinations of Ni, Zn, and Pb was investigated in 3 large-scale experiments using the standard chronic (7-d) Ceriodaphnia dubia reproductive toxicity test. These metals were selected because of anticipated differences in mode of action. The toxicity of the metals in most mixtures, expressed as either free metal ion activities or as dissolved metal concentrations, were antagonistic relative to the concentration addition model, whereas no significant (p < 0.05) interactive effects were observed relative to the independent action model. The only exception was the binary Pb-Zn mixture, for which mixture effects were noninteractive based on the dissolved concentrations, but antagonistic based on free ion activities all relative to the independent action model. Overall, the independent action model fitted the observed toxicity better than the concentration addition model, which is consistent with the different modes of action of these metals. The concentration addition model mostly overestimated toxicity. Finally, the present study warns against extrapolation of the type of interactive effects between species, even when they are closely related. Environ Toxicol Chem 2016;35:1796-1805. © 2015 SETAC. PMID:26648335

  18. The sensitivity of Daphnia magna and Daphnia curvirostris to 10 veterinary antibacterials and to some of their binary mixtures.

    PubMed

    Dalla Bona, Mirco; Di Leva, Vincenzo; De Liguoro, Marco

    2014-11-01

    Aim of this study was to evaluate the suitability of Daphnia curvirostris for the acute toxicity test usually performed on Daphnia magna, and to compare the sensitivity of the two species toward 10 antibacterials [enrofloxacin (EFX), ciprofloxacin(CPX), sulfaguanidine (SGD), sulfadiazine (SDZ), sulfamethazine (SMZ), sulfaquinoxaline (SQO), sulfaclozine (SCZ), sulfamerazine (SMA), sulfadimethoxine (SDM) and trimethoprim (TMP)] and some of their binary mixtures. Furthermore, a tentative prolonged-toxicity test (lasting 13d) was settled up in order to evidence toxic responses with drug concentrations that were uneffective in the classic 48h immobilization test. Results showed that D. curvirostris was more sensitive than D. magna to the majority of compounds (6 out of 10). Lowest 48h EC50s were obtained with EFX (4.3mgL(-1) in D. curvirostris) and SGD (6.2mgL(-1) in D. magna). The toxicity of paired compounds was always concentration-additive or less than concentration-additive. In the prolonged-toxicity test mortality and/or reproduction inhibition were constantly observed. It was concluded that: (1) D. curvirostris could be a suitable model for the evaluation of acute toxicity of antibacterials since its sensitivity was generally greater than that of D. magna; (2) the toxicity of EFX and SGD should be given special attention as the two compounds, in the prolonged test, showed to be active at concentrations of 0.9mgL(-1) and 2.5mgL(-1), respectively; (3) the concentration addition is usually a reasonable worst case estimation of the environmental impact of antibacterial mixtures. PMID:24630458

  19. Considerations about the theoretically expected crushing strength of tablets from binary powder mixtures: double layer tablets versus arithmetic additivity rule.

    PubMed

    Belda, Petra M; Mielck, Jobst B

    2006-11-01

    The theoretically expected breaking strength of tablets from powder mixtures is often calculated by the weighted arithmetic mean from the breaking strength of the single components, which corresponds to a linear interpolation. The validity of this additivity of fracture strength shall be evaluated by the underlying model of parallel couplings. It assumes the components linked in parallel with respect to the direction of loading during diametrical strength testing. Parallel couplings were experimentally realised by the preparation of double layer tablets from crystalline and spray-dried lactose on the one hand and from maltitol and metamizol-sodium on the other. Constant total true volumes of the single substances and of layered powders in varying ratios of true volume were compressed on an eccentric tabletting machine to constant geometric mean punch force. Simulated crushing profiles of parallel couplings were derived from force-displacement profiles measured during diametrical compression of the one-component tablets. At given finely graded deformation levels, the forces exerted by the components during loading were added in the proportion of the true volume fractions of the components in the coupling. The results from the experiments and from the simulations are in good accordance. They demonstrate that a linear change of the crushing strength in dependence on the true volume fraction of the components can only be assumed if the single components deform to the same extent up to the point of fracture. This behaviour was approximately found with the parallel lactose system. In all other cases it must be expected that the crushing strength of parallel systems will be lowered beneath the weighted arithmetic mean values or even below the crushing strength of the single components. The latter was observed with the maltitol-metamizol combinations. Thus, if tablets from binary powder mixtures exhibit a crushing strength depression, this is not necessarily an indication

  20. Molecular dynamics studies on liquid-phase dynamics and structures of four different fluoropropenes and their binary mixtures with R-32 and CO2.

    PubMed

    Raabe, Gabriele

    2014-01-01

    Fluoropropenes such as R-1234yf or R-1234ze(E) have attracted attention as low GWP (global warming potential) refrigerants, both as pure compounds but also to an increasing extent as components in refrigerant blends. In our earlier work [Raabe, G.; Maginn, E. J. J. Phys. Chem. B 2010, 114, 10133-10142 and Raabe, G. J. Phys. Chem. B 2012, 116, 5744-5751], we have introduced a transferable force field for different fluoropropene compounds. This molecular model has already been applied for predictive molecular simulation studies on the vapor-liquid phase equilibria in binary mixtures of the tetrafluoropropenes R-1234yf or R-1234ze(E) with the difluoromethane R-32 and CO2. In this work we present molecular dynamics simulations on the liquid phase properties of the pure fluoropropenes R-1234yf, R-1234ze, R-1234ze(E), and R-1216 and their binary mixtures with CO2 and R-32. Our study covers temperatures from 273 to 313 K, pressures up to 3.5 MPa, and different mixture compositions. We provide predictions on the densities and transport properties of the pure compounds and the binary mixtures to complement experimental data. Additionally, we have analyzed radial and spatial distribution functions in the systems to gain insight into their microscopic structures and preferred interaction sites. PMID:24328116

  1. Cytotoxicity of binary mixtures of human pharmaceuticals in a fish cell line: approaches for non-monotonic concentration-response relationships.

    PubMed

    Bain, Peter A; Kumar, Anupama

    2014-08-01

    Predicting the effects of mixtures of environmental micropollutants is a priority research area. In this study, the cytotoxicity of ten pharmaceuticals to the rainbow trout cell line RTG-2 was determined using the neutral red uptake assay. Fluoxetine (FL), propranolol (PPN), and diclofenac (DCF) were selected for further study as binary mixtures. Biphasic concentration-response relationships were observed in cells exposed to FL and PPN. In the case of PPN, microscopic examination revealed lysosomal swelling indicative of direct uptake and accumulation of the compound. Three equations describing non-monotonic concentration-response relationships were evaluated and one was found to consistently provide more accurate estimates of the median and 10% effect concentrations compared with a sigmoidal concentration-response model. Predictive modeling of the effects of binary mixtures of FL, PPN, and DCF was undertaken using an implementation of the concentration addition (CA) conceptual model incorporating non-monotonic concentration-response relationships. The cytotoxicity of the all three binary combinations could be adequately predicted using CA, suggesting that the toxic mode of action in RTG-2 cells is unrelated to the therapeutic mode of action of these compounds. The approach presented here is widely applicable to the study of mixture toxicity in cases where non-monotonic concentration-response relationships are observed. PMID:24582036

  2. The binary mixtures of megestrol acetate and 17α-ethynylestradiol adversely affect zebrafish reproduction.

    PubMed

    Hua, Jianghuan; Han, Jian; Wang, Xianfeng; Guo, Yongyong; Zhou, Bingsheng

    2016-06-01

    Synthetic progesterones and estrogens are broadly used bioactive pharmaceutical agents and have been detected in aquatic environments. In the present study, we investigated the combined reproductive effects of megestrol acetate (MTA) and 17α-ethinylestradiol (EE2) on zebrafish. Adult zebrafish were exposed to MTA (33, 100 or 333 ng/L), EE2 (10 ng/L) or a mixture of both (MTA + EE2: 33 + 10, 100 + 10 or 333 + 10 ng/L) for 21 days. Results demonstrated that egg production was significantly reduced by exposure to 10 ng/L EE2, but not MTA. However, a combined exposure to MTA and EE2 caused further reduction of fish fecundity compared to EE2 exposure alone, suggesting an additive effect on egg production when EE2 is supplemented with MTA. Plasma concentrations of 17β-estradiol and testosterone in the females and 11-ketotestosterone in the males were significantly decreased in the groups exposed to EE2 or MTA alone compared with the solvent control, and the plasma concentrations of the three hormones were further reduced in the co-exposure groups relative to the MTA exposure group, but not the EE2 exposure group. These data indicate that the inhibitory effects on plasma concentrations in the co-exposures were predominantly caused by EE2. Furthermore, exposure to MTA and EE2 (alone or in combination) led to histological alterations in the ovaries (decreased vitellogenic/mature oocytes), but not in the testes. This study has important implications for environmental risk assessment of synthetic hormones that are concurrently present in aquatic systems. PMID:27038209

  3. Beyond-mean-field study of a binary bosonic mixture in a state-dependent honeycomb lattice

    NASA Astrophysics Data System (ADS)

    Cao, Lushuai; Krönke, Sven; Stockhofe, Jan; Simonet, Juliette; Sengstock, Klaus; Lühmann, Dirk-Sören; Schmelcher, Peter

    2015-04-01

    We investigate a binary mixture of bosonic atoms loaded into a state-dependent honeycomb lattice. For this system, the emergence of a so-called twisted-superfluid ground state was experimentally observed in Soltan-Panahi et al. [Nat. Phys. 8, 71 (2012), 10.1038/nphys2128]. Theoretically, the origin of this effect is not understood. We perform numerical simulations of an extended single-band Bose-Hubbard model adapted to the experimental parameters employing the multilayer multiconfiguration time-dependent Hartree method for Bosons. Our results confirm the overall applicability of mean-field theory in the relevant parameter range, within the extended single-band Bose-Hubbard model. Beyond this, we provide a detailed analysis of correlation effects correcting the mean-field result. These have the potential to induce asymmetries in single shot time-of-flight measurements, but we find no indication of the patterns characteristic of the twisted superfluid. We comment on the restrictions of our model and possible extensions.

  4. Interfacial tension and wall energy of a Bose-Einstein condensate binary mixture: Triple-parabola approximation

    NASA Astrophysics Data System (ADS)

    Deng, Zehui; Schaeybroeck, Bert Van; Lin, Chang-You; Thu, Nguyen Van; Indekeu, Joseph O.

    2016-02-01

    Accurate and useful analytic approximations are developed for order parameter profiles and interfacial tensions of phase-separated binary mixtures of Bose-Einstein condensates. The pure condensates 1 and 2, each of which contains a particular species of atoms, feature healing lengths ξ1 and ξ2. The inter-atomic interactions are repulsive. In particular, the reduced inter-species repulsive interaction strength is K. A triple-parabola approximation (TPA) is proposed, to represent closely the energy density featured in Gross-Pitaevskii (GP) theory. This TPA allows us to define a model, which is a handy alternative to the full GP theory, while still possessing a simple analytic solution. The TPA offers a significant improvement over the recently introduced double-parabola approximation (DPA). In particular, a more accurate amplitude for the wall energy (of a single condensate) is derived and, importantly, a more correct expression for the interfacial tension (of two condensates) is obtained, which describes better its dependence on K in the strong segregation regime, while also the interface profiles undergo a qualitative improvement.

  5. Phase separation in a binary mixture confined between symmetric parallel plates: Capillary condensation transition near the bulk critical point

    NASA Astrophysics Data System (ADS)

    Yabunaka, Shunsuke; Okamoto, Ryuichi; Onuki, Akira

    2013-03-01

    We investigate phase separation of near-critical binary mixtures between parallel symmetric walls in the strong adsorption regime. We take into account the renormalization effect due to the critical fluctuations using the recent local functional theory [Okamoto and Onuki, J. Chem. Phys.0021-960610.1063/1.3693331 136, 114704 (2012)]. In statics, a van der Waals loop is obtained in the relation between the average order parameter <ψ> in the film and the chemical potential when the temperature T is lower than the film critical temperature Tcca (in the case of an upper critical solution temperature). In dynamics, we lower T below the capillary condensation line from above Tcca. We calculate the subsequent time development assuming no mass exchange between the film and the reservoir. In the early stage, the order parameter ψ changes only in the direction perpendicular to the walls. For sufficiently deep quenching, such one-dimensional profiles become unstable with respect to the fluctuations varying in the lateral directions. The late-stage coarsening is then accelerated by the hydrodynamic interaction. A pancake domain of the phase disfavored by the walls finally appears in the middle of the film.

  6. Preparation of thermosensitive membranes by radiation grafting of acrylic acid/ N-isopropyl acrylamide binary mixture on PET fabric

    NASA Astrophysics Data System (ADS)

    Gupta, Bhuvanesh; Mishra, Swaiti; Saxena, Shalini

    2008-05-01

    Thermosensitive membranes were prepared by radiation-induced graft copolymerization of monomers on PET fabrics. A binary mixture of N-isopropyl acrylamide (NIPAAm) and acrylic acid (AA) was grafted on polyester fabric as a base material to introduce thermosensitive poly( N-isopropyl acrylamide) pendant chains having LCST slightly higher than 37 °C in the membrane. The influence of ferrous sulfate, radiation dose and monomer composition on the degree of grafting was studied. The structure of the grafted fabric was characterized by thermogravimetric analysis, differential scanning calorimetry and scanning electron microscopy. The thermosensitive nature of the fabric was monitored by swelling at different temperatures. The graft copolymerization of AA with NIPAAm enhanced the LCST of the resultant membrane to ˜37 °C. The moisture vapor transmission rate (MVTR) and air permeability of the fabric decreased slightly, may be due to the slight blocking of the fabric pores. The immobilization of tetracycline hydrochloride as the model drug and its release characteristics at different temperatures were monitored.

  7. 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.

  8. Solubilization of pentanol by micelles of cationic surfactants and binary mixtures of cationic surfactants in aqueous solution

    SciTech Connect

    Morgan, M.E.; Uchiyama, Hirotaka; Christian, S.D.; Tucker, E.E.; Scamehorn, J.F. )

    1994-07-01

    The solubilization of pentanol in aqueous solutions of individual cationic surfactants and binary mixtures of cationic surfactants at 20[degree]C has been investigated using head-space chromatography. Complete solubilization isotherms have been determined for pentanol in micelles of the surfactants hexadecyl-pyridinium chloride (CPC), trimethyltetradecylammonium chloride (C[sub 14]Cl), benzyldimethyltetradecyl-ammonium chloride (C[sub 14]BzCl), benzyldimethylhexadecylammonium chloride (C[sub 16]BzCl), and hexadecyltrimethylammonium bromide (C[sub 16]Cl). In every case, a large decrease in the solubilization equilibrium (or partition) constant occurs on increasing the mole fraction of pentanol in the micelles (X); a factor of 3-5 reduction in the equilibrium constant occurs as X increases from nearly zero to nearly 0.9. Solubilization results have also been determined for mixed micelles of C[sub 14]Cl and C[sub 14]BzCl (system I) and CPC and C[sub 16]BzCl (system II). Large positive synergistic effects reported previously for system I and large antisynergistic effects for system II are not confirmed by the results of the present studies. For both of these mixed micellar systems, small decreases in the value of the solubilization equilibrium constant, relative to values predicted with an assumed additivity relationship, are observed. 38 refs., 10 figs., 1 tab.

  9. Characterization of Binary Ag-Cu Ion Mixtures in Zeolites: Their Reduction Products and Stability to Air Oxidation

    SciTech Connect

    Fiddy, Steven; Petranovskii, Vitalii; Ogden, Steve; Iznaga, Inocente Rodriguez

    2007-02-02

    A series of Ag+-Cu2+ binary mixtures with different Ag/Cu ratios were supported on mordenite with different Si/Al ratios and were subsequently reduced under hydrogen in the temperature range 323K - 473K. Ag and Cu K-edge X-ray Absorption Spectroscopy (XAS) was conducted on these systems in-situ to monitor the reduction species formed and the kinetics of their reduction. In-situ XANES clearly demonstrates that the formation of silver particles is severely impeded by the addition of copper and that the copper is converted from Cu(II) to Cu(I) during reduction and completely reverts back to Cu(II) during cooling. There are no indications at any stage of the formation of bimetallic Ag-Cu clusters. Interestingly, the Ag/Cu ratio appears to have no influence of the reduction kinetics and reduction products formed with only the highest Si/Al ratio (MR = 128) investigated during this study having an influence on the reduction and stability to air oxidation.

  10. Development of a Binary Mixture Gas Composition Instrument for Use in a Confined High Temperature Environment

    NASA Astrophysics Data System (ADS)

    Cadell, Seth R.

    , or used to measure the purity of the coolant itself. This work details the efforts conducted to develop such an instrument. While the concept of designing a capacitance sensor to measure a gas mixture is not unique, the application of using a capacitance sensor within a nuclear reactor is a new application. This application requires the development of an instrument that will survive a high temperature nuclear reactor environment and operate at a sensitivity not found in current applications. To prove this technique, instrument prototypes were built and tested in confined environments and at high temperatures. This work discusses the proof of concept testing and outlines an application in the High Temperature Test Facility to increase the operational understanding of the instrument. This work is the first step toward the ultimate outcome of this work, which is to provide a new tool to the gas reactor community allowing real-time measurements of coolant properties within the core.

  11. Dielectric constants of binary mixtures of propylene carbonate with dimethyl carbonate and ethylene carbonate from molecular dynamics simulation: comparison between non-polarizable and polarizable force fields

    NASA Astrophysics Data System (ADS)

    Lee, Sanghun; Park, Sung Soo

    2013-01-01

    Using non-polarizable and polarizable molecular dynamics simulations, binary mixtures of propylene carbonate + dimethyl carbonate and propylene carbonate + ethylene carbonate with various compositions were investigated. The polarizable model produces more reasonable estimation of dielectric constants than the non-polarizable model; however, combining the electronic continuum model with the non-polarizable MD improves the comparison between the two models. Fair agreement was found between the results from these simulations and available experimental data. In addition, for a better understanding of the mixing behaviour, the excess dielectric constants over the entire composition were calculated. By comparison of the two mixtures in various mole fractions, distinctive mixing behaviours of propylene carbonate + dimethyl carbonate (poorly symmetric mixture) and propylene carbonate + ethylene carbonate (highly symmetric mixture) were observed.

  12. Surface tension of binary mixtures of water + N-methyldiethanolamine and ternary mixtures of this amine and water with monoethanolamine, diethanolamine, and 2-amino-2-methyl-1-propanol from 25 to 50 C

    SciTech Connect

    Alvarez, E.; Rendo, R.; Sanjurjo, B.; Sanchez-Vilas, M.; Navaza, J.M.

    1998-11-01

    The surface tension of aqueous solutions of N-methyldiethanolamine and diethanolamine + N-methyldiethanolamine, monoethanolamine + N-methyldiethanolamine and 2-amino-2-methyl-1-propanol + N-methyldiethanolamine was measured at temperatures from 25 C to 50 C. For binary mixtures the concentration range was 0--50 mass % N-methyldiethanolamine, and for the tertiary mixtures the concentration range for each amine was 0--50 mass %. The experimental values were correlated with temperature and mole fraction. The maximum deviation in both cases was always less than 0.5%.

  13. Excess parameters for binary mixtures of ethyl benzoate with 1-propanol, 1-butanol and 1-pentanol at T=303, 308, 313, 318, and 323 K

    NASA Astrophysics Data System (ADS)

    Sreehari Sastry, S.; Babu, Shaik; Vishwam, T.; Parvateesam, K.; Sie Tiong, Ha.

    2013-07-01

    Various thermo-acoustic parameters, such as excess isentropic compressibility (KsE), excess molar volume (VE), excess free length (LfE), excess Gibb's free energy (ΔG*E), and excess Enthalpy (HE), have been calculated from the experimentally determined data of density, viscosity and speed of sound for the binary mixtures of ethyl benzoate+1-propanol, or +1-butanol, or +1-pentanol over the entire range of composition at different temperatures (303, 308, 313, 318 and 323 K). The excess functions have been fitted to the Redlich-Kister type polynomial equation. The deviations for excess thermo-acoustic parameters have been explained on the basis of the intermolecular interactions present in these binary mixtures.

  14. Stability of fluctuating and transient aggregates of amphiphilic solutes in aqueous binary mixtures: Studies of dimethylsulfoxide, ethanol, and tert-butyl alcohol

    NASA Astrophysics Data System (ADS)

    Banerjee, Saikat; Bagchi, Biman

    2013-10-01

    In aqueous binary mixtures, amphiphilic solutes such as dimethylsulfoxide (DMSO), ethanol, tert-butyl alcohol (TBA), etc., are known to form aggregates (or large clusters) at small to intermediate solute concentrations. These aggregates are transient in nature. Although the system remains homogeneous on macroscopic length and time scales, the microheterogeneous aggregation may profoundly affect the properties of the mixture in several distinct ways, particularly if the survival times of the aggregates are longer than density relaxation times of the binary liquid. Here we propose a theoretical scheme to quantify the lifetime and thus the stability of these microheterogeneous clusters, and apply the scheme to calculate the same for water-ethanol, water-DMSO, and water-TBA mixtures. We show that the lifetime of these clusters can range from less than a picosecond (ps) for ethanol clusters to few tens of ps for DMSO and TBA clusters. This helps explaining the absence of a strong composition dependent anomaly in water-ethanol mixtures but the presence of the same in water-DMSO and water-TBA mixtures.

  15. Stability of fluctuating and transient aggregates of amphiphilic solutes in aqueous binary mixtures: studies of dimethylsulfoxide, ethanol, and tert-butyl alcohol.

    PubMed

    Banerjee, Saikat; Bagchi, Biman

    2013-10-28

    In aqueous binary mixtures, amphiphilic solutes such as dimethylsulfoxide (DMSO), ethanol, tert-butyl alcohol (TBA), etc., are known to form aggregates (or large clusters) at small to intermediate solute concentrations. These aggregates are transient in nature. Although the system remains homogeneous on macroscopic length and time scales, the microheterogeneous aggregation may profoundly affect the properties of the mixture in several distinct ways, particularly if the survival times of the aggregates are longer than density relaxation times of the binary liquid. Here we propose a theoretical scheme to quantify the lifetime and thus the stability of these microheterogeneous clusters, and apply the scheme to calculate the same for water-ethanol, water-DMSO, and water-TBA mixtures. We show that the lifetime of these clusters can range from less than a picosecond (ps) for ethanol clusters to few tens of ps for DMSO and TBA clusters. This helps explaining the absence of a strong composition dependent anomaly in water-ethanol mixtures but the presence of the same in water-DMSO and water-TBA mixtures. PMID:24182023

  16. Effect of genetic algorithm as a variable selection method on different chemometric models applied for the analysis of binary mixture of amoxicillin and flucloxacillin: A comparative study

    NASA Astrophysics Data System (ADS)

    Attia, Khalid A. M.; Nassar, Mohammed W. I.; El-Zeiny, Mohamed B.; Serag, Ahmed

    2016-03-01

    Different chemometric models were applied for the quantitative analysis of amoxicillin (AMX), and flucloxacillin (FLX) in their binary mixtures, namely, partial least squares (PLS), spectral residual augmented classical least squares (SRACLS), concentration residual augmented classical least squares (CRACLS) and artificial neural networks (ANNs). All methods were applied with and without variable selection procedure (genetic algorithm GA). The methods were used for the quantitative analysis of the drugs in laboratory prepared mixtures and real market sample via handling the UV spectral data. Robust and simpler models were obtained by applying GA. The proposed methods were found to be rapid, simple and required no preliminary separation steps.

  17. Effect of genetic algorithm as a variable selection method on different chemometric models applied for the analysis of binary mixture of amoxicillin and flucloxacillin: A comparative study.

    PubMed

    Attia, Khalid A M; Nassar, Mohammed W I; El-Zeiny, Mohamed B; Serag, Ahmed

    2016-03-01

    Different chemometric models were applied for the quantitative analysis of amoxicillin (AMX), and flucloxacillin (FLX) in their binary mixtures, namely, partial least squares (PLS), spectral residual augmented classical least squares (SRACLS), concentration residual augmented classical least squares (CRACLS) and artificial neural networks (ANNs). All methods were applied with and without variable selection procedure (genetic algorithm GA). The methods were used for the quantitative analysis of the drugs in laboratory prepared mixtures and real market sample via handling the UV spectral data. Robust and simpler models were obtained by applying GA. The proposed methods were found to be rapid, simple and required no preliminary separation steps. PMID:26641286

  18. Pressure dependence of the mixing rate for the free convection of a binary gas mixture in a two-flask apparatus

    NASA Astrophysics Data System (ADS)

    Aleksandrov, O. E.; Seleznev, V. D.

    2016-07-01

    A theoretical model of steady-state mixing is considered for a binary gas mixture under conditions of free gravitational convection in a vertical channel with impenetrable walls that connects two flasks. It is shown that the mixing rate in the supercritical regime has a peak and then deceases monotonically with increasing pressure. The experimental results are shown to be in good agreement with theoretical data.

  19. Densities and Viscosities of Binary Mixtures of Methanol with Dimethyl Methylphosphonate and Dimethyl Phosphite from (293.15 to 333.15) K

    NASA Astrophysics Data System (ADS)

    Wang, Li-Sheng; Tian, Na-Na

    2011-06-01

    Densities and viscosities of methanol + dimethyl methylphosphonate and methanol + dimethyl phosphite binary mixtures were measured over a temperature range of (293.15 to 333.15) K at atmospheric pressure. The experimental data were compared with literature values. From these data, excess molar volumes ( V E) were calculated. The density data were fitted to a second-order polynomial, and the viscosity data were fitted to the Andrade equation.

  20. Electro-olfactogram and multiunit olfactory receptor responses to binary and trinary mixtures of amino acids in the channel catfish, Ictalurus punctatus.

    PubMed

    Caprio, J; Dudek, J; Robinson, J J

    1989-02-01

    In vivo electrophysiological recordings from populations of olfactory receptor neurons in the channel catfish, Ictalurus punctatus, clearly showed that responses to binary and trinary mixtures of amino acids were predictable with knowledge obtained from previous cross-adaptation studies of the relative independence of the respective binding sites of the component stimuli. All component stimuli, from which equal aliquots were drawn to form the mixtures, were adjusted in concentration to provide for approximately equal response magnitudes. The magnitude of the response to a mixture whose component amino acids showed significant cross-reactivity was equivalent to the response to any single component used to form that mixture. A mixture whose component amino acids showed minimal cross-adaptation produced a significantly larger relative response than a mixture whose components exhibited considerable cross-reactivity. This larger response approached the sum of the responses to the individual component amino acids tested at the resulting concentrations in the mixture, even though olfactory receptor dose-response functions for amino acids in this species are characterized by extreme sensory compression (i.e., successive concentration increments produce progressively smaller physiological responses). Thus, the present study indicates that the response to sensory stimulation of olfactory receptor sites is more enhanced by the activation of different receptor site types than by stimulus interaction at a single site type. PMID:2703818