Application of the finite volume method in the simulation of saturated flows of binary mixtures

International Nuclear Information System (INIS)

Murad, M.A.; Gama, R.M.S. da; Sampaio, R.

1989-12-01

This work presents the simulation of saturated flows of an incompressible Newtonian fluid through a rigid, homogeneous and isotropic porous medium. The employed mathematical model is derived from the Continuum Theory of Mixtures and generalizes the classical one which is based on Darcy's Law form of the momentum equation. In this approach fluid and porous matrix are regarded as continuous constituents of a binary mixture. The finite volume method is employed in the simulation. (author) [pt

On the Lyapunov stability of a plane parallel convective flow of a binary mixture

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Giuseppe Mulone

1991-05-01

Full Text Available The nonlinear stability of plane parallel convective flows of a binary fluid mixture in the Oberbeck-Boussinesq scheme is studied in the stress-free boundary case. Nonlinear stability conditions independent of Reynolds number are proved.

Mesoscopic model for binary fluids

Science.gov (United States)

Echeverria, C.; Tucci, K.; Alvarez-Llamoza, O.; Orozco-Guillén, E. E.; Morales, M.; Cosenza, M. G.

2017-10-01

We propose a model for studying binary fluids based on the mesoscopic molecular simulation technique known as multiparticle collision, where the space and state variables are continuous, and time is discrete. We include a repulsion rule to simulate segregation processes that does not require calculation of the interaction forces between particles, so binary fluids can be described on a mesoscopic scale. The model is conceptually simple and computationally efficient; it maintains Galilean invariance and conserves the mass and energy in the system at the micro- and macro-scale, whereas momentum is conserved globally. For a wide range of temperatures and densities, the model yields results in good agreement with the known properties of binary fluids, such as the density profile, interface width, phase separation, and phase growth. We also apply the model to the study of binary fluids in crowded environments with consistent results.

The structural and thermodynamical properties of binary ellipsoidal fluid mixture Gay-Berne interaction

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M. Moradi

2007-06-01

Full Text Available  In this paper, a uniform classical fluid mixture comprising ellipsoidal molecules is studied. This mixture is composed of two types of ellipsoidal molecules interacting through the Gay-Berne potential with different sizes at temperature T. For this system, the Ornstein-Zernike equation using the Percus-Yevick closure relation is solved. Then the direct correlation function, pair correlation function and the pressure of the fluid at temperature T are calculated. The obtained results are in agreement with the previous theories and the results of molecular dynamic computer simulation.

Collective dynamics in dense fluid mixtures

International Nuclear Information System (INIS)

Sinha, S.

1992-01-01

This thesis deals with the short wavelength collective dynamics of dense binary fluid mixtures. The analysis shows that at the level of linearized generalized hydrodynamics, the longitudinal modes of the system separates essentially into two parts - one involves the coupling of partial density fluctuations of the two species and the other involves coupling of longitudinal momentum and temperature fluctuations. The authors have shown that the coupling of longitudinal momentum and temperature fluctuations leads to an adequate description of sound propagation in such systems. In particular, they show that structural disorder controls the trapping of sound waves in dense mixtures. The coupling of the partial density fluctuations of the two species leads to a simple description of the partial dynamic structure factors. The results are in agreement with the molecular dynamics simulations of soft sphere mixtures. The partial density fluctuations are the slowest decaying fluctuations on molecular length scales and it turns out that nonlinear coupling of these slow modes leads to important corrections to the long time behavior of the time correlation functions determining the shear viscosity in dense mixtures

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

Science.gov (United States)

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

1990-01-01

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

Measurement and correlation of critical properties for binary mixtures and ternary mixtures containing gasoline additives

International Nuclear Information System (INIS)

Wang, Lipu; Han, Kewei; Xia, Shuqian; Ma, Peisheng; Yan, Fangyou

2014-01-01

Highlights: • A high-pressure view cell was used to measure the critical properties of mixtures. • Three binary mixtures’ and three ternary mixtures’ critical properties were reported. • The experimental data of each system covered the whole mole fraction range. • The critical properties of the ternary mixtures were predicted with the PR–WS model. • Empirical equations were used to correlate the experimental results. - Abstract: The critical properties of three binary mixtures and three ternary mixtures containing gasoline additives (including methanol + 1-propanol, heptane + ethanol, heptane + 1-propanol, methanol + 1-propanol + heptane, methanol + 1-propanol + methyl tert-butyl ether (MTBE), and ethanol + heptane + MTBE) were determined by a high-pressure cell. All the critical lines of binary mixtures belong to the type I described by Scott and van Konynenburg. The system of methanol + 1-propanol showed little non-ideal behavior due to their similar molecular structures. The heptane + ethanol and heptane + 1-propanol systems showed visible non-ideal behavior for their great differences in molecular structure. The Peng–Robinson equation of state combined with the Wong–Sandler mixing rule (PR–WS) was applied to correlate the critical properties of binary mixtures. The critical points of the three ternary mixtures were predicted by the PR–WS model with the binary interaction parameters using the procedure proposed by Heidemann and Khalil. The predicted critical temperatures were in good agreement with the experimental values, while the predicted critical pressures differed from the measured values. The experimental values of binary mixtures were fitted well with the Redlich–Kister equation. The critical properties of ternary mixtures were correlated with the Cibulka’s equation, and the critical surfaces were plotted using the Cibulka’s equations

Evaluation of thermodynamic properties of fluid mixtures by PC-SAFT model

International Nuclear Information System (INIS)

Almasi, Mohammad

2014-01-01

Experimental and calculated partial molar volumes (V ¯ m,1 ) of MIK with (♦) 2-PrOH, (♢) 2-BuOH, (●) 2-PenOH at T = 298.15 K. (—) PC-SAFT model. - Highlights: • Densities and viscosities of the mixtures (MIK + 2-alkanols) were measured. • PC-SAFT model was applied to correlate the volumetric properties of binary mixtures. • Agreement between experimental data and calculated values by PC-SAFT model is good. - Abstract: Densities and viscosities of binary mixtures of methyl isobutyl ketone (MIK) with polar solvents namely, 2-propanol, 2-butanol and 2-pentanol, were measured at 7 temperatures (293.15–323.15 K) over the entire range of composition. Using the experimental data, excess molar volumes V m E , isobaric thermal expansivity α p , partial molar volumes V ¯ m,i and viscosity deviations Δη, have been calculated due to their importance in the study of specific molecular interactions. The observed negative and positive values of deviation/excess parameters were explained on the basis of the intermolecular interactions occur in these mixtures. The Perturbed Chain Statistical Association Fluid Theory (PC-SAFT) has been used to correlate the volumetric behavior of the mixtures

Modelling and simulation of an energy transport phenomenon in a solid-fluid mixture

International Nuclear Information System (INIS)

Costa, M.L.M.; Sampaio, R.; Gama, R.M.S. da.

1989-08-01

In the present work a model for a local description of the energy transfer phenomenon in a binary (solid-fluid) saturated mixture is proposed. The heat transfer in a saturated flow (through a porous medium) between two parallel plates is simulated by using the Finite Volumes Method. (author) [pt

Evaluation of thermodynamic properties of fluid mixtures by PC-SAFT model

Energy Technology Data Exchange (ETDEWEB)

Almasi, Mohammad, E-mail: m.almasi@khouzestan.srbiau.ac.ir

2014-09-10

Experimental and calculated partial molar volumes (V{sup ¯}{sub m,1}) of MIK with (♦) 2-PrOH, (♢) 2-BuOH, (●) 2-PenOH at T = 298.15 K. (—) PC-SAFT model. - Highlights: • Densities and viscosities of the mixtures (MIK + 2-alkanols) were measured. • PC-SAFT model was applied to correlate the volumetric properties of binary mixtures. • Agreement between experimental data and calculated values by PC-SAFT model is good. - Abstract: Densities and viscosities of binary mixtures of methyl isobutyl ketone (MIK) with polar solvents namely, 2-propanol, 2-butanol and 2-pentanol, were measured at 7 temperatures (293.15–323.15 K) over the entire range of composition. Using the experimental data, excess molar volumes V{sub m}{sup E}, isobaric thermal expansivity α{sub p}, partial molar volumes V{sup ¯}{sub m,i} and viscosity deviations Δη, have been calculated due to their importance in the study of specific molecular interactions. The observed negative and positive values of deviation/excess parameters were explained on the basis of the intermolecular interactions occur in these mixtures. The Perturbed Chain Statistical Association Fluid Theory (PC-SAFT) has been used to correlate the volumetric behavior of the mixtures.

Generation of two-dimensional binary mixtures in complex plasmas

Science.gov (United States)

Wieben, Frank; Block, Dietmar

2016-10-01

Complex plasmas are an excellent model system for strong coupling phenomena. Under certain conditions the dust particles immersed into the plasma form crystals which can be analyzed in terms of structure and dynamics. Previous experiments focussed mostly on monodisperse particle systems whereas dusty plasmas in nature and technology are polydisperse. Thus, a first and important step towards experiments in polydisperse systems are binary mixtures. Recent experiments on binary mixtures under microgravity conditions observed a phase separation of particle species with different radii even for small size disparities. This contradicts several numerical studies of 2D binary mixtures. Therefore, dedicated experiments are required to gain more insight into the physics of polydisperse systems. In this contribution first ground based experiments on two-dimensional binary mixtures are presented. Particular attention is paid to the requirements for the generation of such systems which involve the consideration of the temporal evolution of the particle properties. Furthermore, the structure of these two-component crystals is analyzed and compared to simulations. This work was supported by the Deutsche Forschungsgemeinschaft DFG in the framework of the SFB TR24 Greifswald Kiel, Project A3b.

Calculation of interfacial tensions with gradient theory. I. Pure and Pseudo-Pure Fluids. II. Binary Systems

DEFF Research Database (Denmark)

Zuo, You-Xiang; Stenby, Erling Halfdan

1997-01-01

.26% at low pressure, and that of naphtha reformate cuts was 3.6%. In addition, the gradient theory was used to predict interfacial tensions for binary systems in the near-critical region. The results show excellent agreement between the predicted and experimental IFTs at high and moderate levels, while....... A consistent procedure for the estimation of properties associated to lumped systems. Fluid Phase Equilibria, 87: 89-197] was used to lump a mixture into one pseudocomponent, and its IFTs were calculated by means of the method of pure fluids. On the basis of the SRK EOS, the overall AAD of mixtures was 3...

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

Science.gov (United States)

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.

The precise measurement of the (vapour + liquid) equilibrium properties for (CO2 + isobutane) binary mixtures

International Nuclear Information System (INIS)

Nagata, Y.; Mizutani, K.; Miyamoto, H.

2011-01-01

Recently, it has been suggested that natural working fluids, such as CO 2 , hydrocarbons, and their mixtures, could provide a long-term alternative to fluorocarbon refrigerants. (Vapour + liquid) equilibrium (VLE) data for these fluids are essential for the development of equations of state, and for industrial process such as separation and refinement. However, there are large inconsistencies among the available literature data for (CO 2 + isobutane) binary mixtures, and therefore provision of reliable and new measurements with expanded uncertainties is required. In this study, we determined precise VLE data using a new re-circulating type apparatus, which was mainly designed by Akico Co., Japan. An equilibrium cell with an inner volume of about 380 cm 3 and two optical windows was used to observe the phase behaviour. The cell had re-circulating loops and expansion loops that were immersed in a thermostatted liquid bath and air bath, respectively. After establishment of a steady state in these loops, the compositions of the samples were measured by a gas chromatograph (GL Science, GC-3200). The VLE data were measured for CO 2 /propane and CO 2 /isobutane binary mixtures within the temperature range from 300 K to 330 K and at pressures up to 7 MPa. These data were compared with the available literature data and with values predicted by thermodynamic property models.

Performance analysis and binary working fluid selection of combined flash-binary geothermal cycle

International Nuclear Information System (INIS)

Zeyghami, Mehdi

2015-01-01

Performance of the combined flash-binary geothermal power cycle for geofluid temperatures between 150 and 250 °C is studied. A thermodynamic model is developed, and the suitable binary working fluids for different geofluid temperatures are identified from a list of thirty working fluid candidates, consisting environmental friendly refrigerants and hydrocarbons. The overall system exergy destruction and Vapor Expansion Ratio across the binary cycle turbine are selected as key performance indicators. The results show that for low-temperature heat sources using refrigerants as binary working fluids result in higher overall cycle efficiency and for medium and high-temperature resources, hydrocarbons are more suitable. For combined flash-binary cycle, secondary working fluids; R-152a, Butane and Cis-butane show the best performances at geofluid temperatures 150, 200 and 250 °C respectively. The overall second law efficiency is calculated as high as 0.48, 0.55 and 0.58 for geofluid temperatures equal 150, 200 and 250 °C respectively. The flash separator pressure found to has important effects on cycle operation and performance. Separator pressure dictates the work production share of steam and binary parts of the system. And there is an optimal separator pressure at which overall exergy destruction of the cycle achieves its minimum value. - Highlights: • Performance of the combined flash-binary geothermal cycle is investigated. • Thirty different fluids are screened to find the most suitable ORC working fluid. • Optimum cycle operation conditions presented for geofluids between 150 °C and 250 °C. • Refrigerants are more suitable for the ORC at geothermal sources temperature ≤200 °C. • Hydrocarbons are more suitable for the ORC at geothermal sources temperature >200 °C

Thermodynamic properties of fluid mixtures at high pressures and high temperatures. Application to high explosives and to phase diagrams of binary mixtures

International Nuclear Information System (INIS)

Pittion-Rossillon, Gerard

1982-01-01

The free energy for mixtures of about ten species which are chemically reacting is calculated. In order to have accurate results near the freezing line, excess properties are deduced from a modern statistical mechanics theory. Intermolecular potentials for like molecules are fitted to give good agreement with shock experiments in pure liquid samples, and mixture properties come naturally from the theory. The stationary Chapman-Jouguet detonation wave is calculated with a chemical equilibrium computer code and results are in good agreement with experiment for a lot of various explosives. One then study gas-gas equilibria in a binary mixture and show the extreme sensitivity of theoretical phase diagrams to the hypothesis of the model (author) [fr

Segregation of granular binary mixtures by a ratchet mechanism.

Science.gov (United States)

Farkas, Zénó; Szalai, Ferenc; Wolf, Dietrich E; Vicsek, Tamás

2002-02-01

We report on a segregation scheme for granular binary mixtures, where the segregation is performed by a ratchet mechanism realized by a vertically shaken asymmetric sawtooth-shaped base in a quasi-two-dimensional box. We have studied this system by computer simulations and found that most binary mixtures can be segregated using an appropriately chosen ratchet, even when the particles in the two components have the same size and differ only in their normal restitution coefficient or friction coefficient. These results suggest that the components of otherwise nonsegregating granular mixtures may be separated using our method.

Spinodal decomposition in fluid mixtures

International Nuclear Information System (INIS)

Kawasaki, Kyozi; Koga, Tsuyoshi

1993-01-01

We study the late stage dynamics of spinodal decomposition in binary fluids by the computer simulation of the time-dependent Ginzburg-Landau equation. We obtain a temporary linear growth law of the characteristic length of domains in the late stage. This growth law has been observed in many real experiments of binary fluids and indicates that the domain growth proceeds by the flow caused by the surface tension of interfaces. We also find that the dynamical scaling law is satisfied in this hydrodynamic domain growth region. By comparing the scaling functions for fluids with that for the case without hydrodynamic effects, we find that the scaling functions for the two systems are different. (author)

Dielectric and physiochemical study of binary mixture of nitrobenzene with toluene

Science.gov (United States)

Mohod, Ajay G.; Deshmukh, S. D.; Pattebahadur, K. L.; Undre, P. B.; Patil, S. S.; Khirade, P. W.

2018-05-01

This paper presents the study of binary mixture of Nitrobenzene (NB) with Toluene (TOL) for eleven different concentrations at room temperature. The determined Dielectric Constant (ɛ0) Density (ρ) and Refractive index (nD) values of binary mixture are used to calculate the excess properties i.e. Excess Dielectric Constant (ɛ0E), Excess Molar Volume (VmE), Excess Refractive Index (nDE) and Excess Molar Refraction (RmE) of mixture over the entire composition range and fitted to the Redlich-Kister equation. The Kirkwood Correlation Factor (geff) and other parameters were used to discuss the information about the orientation of dipoles and the solute-solvent interaction of binary mixture at molecular level over the entire range of concentration.

Phase behaviour of the symmetric binary mixture from thermodynamic perturbation theory.

Science.gov (United States)

Dorsaz, N; Foffi, G

2010-03-17

We study the phase behaviour of symmetric binary mixtures of hard core Yukawa (HCY) particles via thermodynamic perturbation theory (TPT). We show that all the topologies of phase diagram reported for the symmetric binary mixtures are correctly reproduced within the TPT approach. In a second step we use the capability of TPT to be straightforwardly extended to mixtures that are nonsymmetric in size. Starting from mixtures that belong to the different topologies of symmetric binary mixtures we investigate the effect on the phase behaviour when an asymmetry in the diameters of the two components is introduced. Interestingly, when the energy of interaction between unlike particles is weaker than the interaction between like particles, the propensity for the solution to demix is found to increase strongly with size asymmetry.

Inertial effects in three-dimensional spinodal decomposition of a symmetric binary fluid mixture: a lattice Boltzmann study

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Kendon, Vivien M.; Cates, Michael E.; Pagonabarraga, Ignacio; Desplat, J.-C.; Bladon, Peter

2001-08-01

The late-stage demixing following spinodal decomposition of a three-dimensional symmetric binary fluid mixture is studied numerically, using a thermodynamically consistent lattice Boltzmann method. We combine results from simulations with different numerical parameters to obtain an unprecedented range of length and time scales when expressed in reduced physical units. (These are the length and time units derived from fluid density, viscosity, and interfacial tension.) Using eight large (2563) runs, the resulting composite graph of reduced domain size l against reduced time t covers 1 [less, similar] l [less, similar] 105, 10 [less, similar] t [less, similar] 108. Our data are consistent with the dynamical scaling hypothesis that l(t) is a universal scaling curve. We give the first detailed statistical analysis of fluid motion, rather than just domain evolution, in simulations of this kind, and introduce scaling plots for several quantities derived from the fluid velocity and velocity gradient fields. Using the conventional definition of Reynolds number for this problem, Re[phi] = ldl/dt, we attain values approaching 350. At Re[phi] [greater, similar] 100 (which requires t [greater, similar] 106) we find clear evidence of Furukawa's inertial scaling (l [similar] t2/3), although the crossover from the viscous regime (l [similar] t) is both broad and late (102 [less, similar] t [less, similar] 106). Though it cannot be ruled out, we find no indication that Re[phi] is self-limiting (l [similar] t1/2) at late times, as recently proposed by Grant & Elder. Detailed study of the velocity fields confirms that, for our most inertial runs, the RMS ratio of nonlinear to viscous terms in the Navier Stokes equation, R2, is of order 10, with the fluid mixture showing incipient turbulent characteristics. However, we cannot go far enough into the inertial regime to obtain a clear length separation of domain size, Taylor microscale, and Kolmogorov scale, as would be needed to test a

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

Science.gov (United States)

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

2012-10-10

Conventional confirmatory biochemical tests used in the forensic analysis of body fluid traces found at a crime scene are destructive and not universal. Recently, we reported on the application of near-infrared (NIR) Raman microspectroscopy for non-destructive confirmatory identification of pure blood, saliva, semen, vaginal fluid and sweat. Here we expand the method to include dry mixtures of semen and blood. A classification algorithm was developed for differentiating pure body fluids and their mixtures. The classification methodology is based on an effective combination of Support Vector Machine (SVM) regression (data selection) and SVM Discriminant Analysis of preprocessed experimental Raman spectra collected using an automatic mapping of the sample. This extensive cross-validation of the obtained results demonstrated that the detection limit of the minor contributor is as low as a few percent. The developed methodology can be further expanded to any binary mixture of complex solutions, including but not limited to mixtures of other body fluids. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Dynamics of binary mixtures in inhomogeneous temperatures

Energy Technology Data Exchange (ETDEWEB)

Gonnella, G; Piscitelli, A [Dipartimento di Fisica, Universita di Bari and Istituto Nazionale di Fisica Nucleare, Sezione di Bari, via Amendola 173, 70126 Bari (Italy); Lamura, A [Istituto Applicazioni Calcolo, CNR, via Amendola 122/D, 70126 Bari (Italy)

2008-03-14

A dynamical description for fluid binary mixtures with variable temperature and concentration gradient contributions to entropy and internal energy is given. By using mass, momentum and energy balance equations together with the standard expression for entropy production, a generalized Gibbs-Duhem relation is obtained which takes into account thermal and concentration gradient contributions. Then an expression for the pressure tensor is derived. As examples of applications, interface behavior and phase separation have been numerically studied in two dimensions neglecting the contributions of the velocity field. In the simplest case with a constant thermal gradient, the growth exponent for the averaged size of domains is found to have the usual value z = 1/3 and the domains appear elongated in the direction of the thermal gradient. When the system is quenched by contact with external walls, the evolution of temperature profiles in the system is shown and the domain morphology is characterized by interfaces perpendicular to the thermal gradient.

Experimental study on thermal storage performance of binary mixtures of fatty acids

Science.gov (United States)

Yan, Quanying; Zhang, Jing; Liu, Chao; Liu, Sha; Sun, Xiangyu

2018-02-01

We selected five kinds of fatty acids including the capric acid, stearic acid, lauric acid, palmitic acid and myristic acid and mixed them to prepare10 kinds of binary mixtures of fatty acids according to the predetermined proportion,tested the phase change temperature and latent heat of mixtures by differential scanning calorimetry(DSC). In order to find the fatty acid mixture which has suitable phase change temperature, the larger phase change latent heat and can be used for phase change wall. The results showed that the phase change temperature and latent heats of the binary mixtures of fatty acids decreased compared with the single component;The phase change temperature of the binary mixtures of fatty acids containing capric acid were lower, the range was roughly 20∼30°C,and latent heat is large,which are ideal phase change materials for phase change wall energy storage;The phase change temperature of the binary mixtures consisting of other fatty acids were still high,didn’t meet the temperature requirements of the wall energy storage.

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

Science.gov (United States)

Desgranges, Caroline; Delhommelle, Jerome

2015-11-10

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

Multi-temperature mixture of fluids

Directory of Open Access Journals (Sweden)

Ruggeri Tommaso

2009-01-01

Full Text Available We present a survey on some recent results concerning the different models of a mixture of compressible fluids. In particular we discuss the most realistic case of a mixture when each constituent has its own temperature (MT and we first compare the solutions of this model with the one with a unique common temperature (ST . In the case of Eulerian fluids it will be shown that the corresponding (ST differential system is a principal subsystem of the (MT one. Global behavior of smooth solutions for large time for both systems will also be discussed through the application of the Shizuta-Kawashima condition. Then we introduce the concept of the average temperature of mixture based upon the consideration that the internal energy of the mixture is the same as in the case of a single-temperature mixture. As a consequence, it is shown that the entropy of the mixture reaches a local maximum in equilibrium. Through the procedure of Maxwellian iteration a new constitutive equation for non-equilibrium temperatures of constituents is obtained in a classical limit, together with the Fick's law for the diffusion flux. Finally, to justify the Maxwellian iteration, we present for dissipative fluids a possible approach of a classical theory of mixture with multi-temperature and we prove that the differences of temperatures between the constituents imply the existence of a new dynamical pressure even if the fluids have a zero bulk viscosity.

A numerical analysis of an anisotropic phase-field model for binary-fluid mixtures in the presence of magnetic-field

OpenAIRE

Belmiloudi , Aziz; Rasheed , Amer

2015-01-01

In this paper we propose a numerical scheme and perform its numerical analysis devoted to an anisotropic phase-field model with convection under the influence of magnetic field for the isother-mal solidification of binary mixtures in two-dimensional geometry. Precisely, the numerical stability and error analysis of this approximation scheme which is based on mixed finite-element method are performed. The particular application of a nickelcopper (NiCu) binary alloy, with real physical paramete...

Generalisation to binary mixtures of the second gradient method and application to direct numerical simulation of nucleate boiling

International Nuclear Information System (INIS)

Fouillet, C.

2003-01-01

In this work, we simulate a nucleate boiling problem using direct numerical simulation. The numerical method used is the second gradient method based on a diffuse interface model which represents interfaces as volumetric regions of finite thickness across which the physical properties of the fluid vary continuously. First, this method is successfully applied to nucleate boiling of a pure fluid. Then, the model is extended to dilute binary mixtures. After studying its validity and its limits in simple configurations, it is then applied to nucleate boiling of a dilute mixture. These simulations show a strong decrease of the heat transfer coefficient as the concentration increases, in agreement with the numerous experimental studies published in this domain. (author) [fr

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

Science.gov (United States)

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.

Relationship between surface tension and refractive index in binary non-electrolyte mixtures

International Nuclear Information System (INIS)

Acevedo, I.L.; Pedrosa, G.C.; Katz, M.

1990-01-01

Lorentz-Lorenz equation for molecular refraction has been combined with Sugden's parachor equation for binary non-electrolyte mixtures at 298.15 K. The obtained equation has been shown successful in calculating values of surface tensions, by measuring refractive indices of the binary mixtures at the same mole fractions. The estimated error decreases when the mixtures present possible isorefractives. (Author) [es

Study of intermolecular interactions in binary mixtures of ethanol in methanol

Science.gov (United States)

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.

Prediction of surface tension of binary mixtures with the parachor method

Directory of Open Access Journals (Sweden)

Němec Tomáš

2015-01-01

Full Text Available 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.

The wetting of planar solid surfaces by symmetric binary mixtures near bulk gas-liquid coexistence

International Nuclear Information System (INIS)

Woywod, Dirk; Schoen, Martin

2004-01-01

We investigate the wetting of planar, nonselective solid substrates by symmetric binary mixtures where the attraction strength between like molecules of components A and B is the same, that is ε AA ε BB AB vertical bar ≤ vertical bar ε AA vertical bar, that is by varying the attraction between a pair of unlike molecules. By means of mean-field lattice density functional calculations we observe a rich wetting behaviour as a result of the interplay between ε AB and the attraction of fluid molecules by the solid substrate ε W . In accord with previous studies we observe complete wetting only above the critical end point if the bulk mixture exhibits a moderate to weak tendency to liquid-liquid phase separation even for relatively strong fluid-substrate attraction. However, in this case layering transitions may arise below the temperature of the critical end point. For strongly phase separating mixtures complete wetting is observed for all temperatures T ≥0 along the line of discontinuous phase transitions in the bulk

Temperature dependence on mutual solubility of binary (methanol + limonene) mixture and (liquid + liquid) equilibria of ternary (methanol + ethanol + limonene) mixture

International Nuclear Information System (INIS)

Tamura, Kazuhiro; Li Xiaoli; Li Hengde

2009-01-01

Mutual solubility data of the binary (methanol + limonene) mixture at the temperatures ranging from 288.15 K close to upper critical solution temperature, and ternary (liquid + liquid) equilibrium (tie-lines) of the (methanol + ethanol + limonene) mixture at the temperatures (288.15, 298.15, and 308.15) K have been obtained. The experimental results have been represented accurately in terms of the extended and modified UNIQUAC models with binary parameters, compared with the UNIQUAC model. The temperature dependence of binary and ternary (liquid + liquid) equilibrium for the binary (methanol + limonene) and ternary (methanol + ethanol + limonene) mixtures could be calculated successfully using the extended and modified UNIQUAC model

Anomalous relaxation in binary mixtures: a dynamic facilitation picture

International Nuclear Information System (INIS)

Moreno, A J; Colmenero, J

2007-01-01

Recent computational investigations of polymeric and non-polymeric binary mixtures have reported anomalous relaxation features when both components exhibit very different mobilities. Anomalous relaxation is characterized by sublinear power-law behaviour for mean-squared displacements, logarithmic decay in dynamic correlators, and a striking concave-to-convex crossover in the latter by tuning the relevant control parameter, in analogy with predictions of the mode-coupling theory for state points close to higher-order transitions. We present Monte Carlo simulations on a coarse-grained model for relaxation in binary mixtures. The liquid structure is substituted by a three-dimensional array of cells. A spin variable is assigned to each cell, representing unexcited and excited local states of a mobility field. Changes in local mobility (spin flip) are permitted according to kinetic constraints determined by the mobilities of the neighbouring cells. We introduce two types of cell ('fast' and 'slow') with very different rates for spin flip. This coarse-grained model qualitatively reproduces the mentioned anomalous relaxation features observed for real binary mixtures

Comparison of methods for calculating thermodynamic properties of binary mixtures in the sub and super critical state: Lee-Kesler and cubic equations of state for binary mixtures containing either CO2 or H2S

International Nuclear Information System (INIS)

Yang, Jyisy; Griffiths, Peter R.; Goodwin, Anthony R.H.

2003-01-01

The (ρ,T,p) and (vapor + liquid) equilibria for fluid mixtures containing either CO 2 or H 2 S have been determined from 13 equations of state. The estimated values have been compared with published experimental results. CO 2 and H 2 S were used to represent non-polar and polar fluids, respectively. The equations of state investigated were as follows: (a) the Lee-Kesler equation; (b) two equations that included new reference fluids for the Lee-Kesler method; (c) three so-called extended equations of state; and (d) seven cubic equations of state. After adjustment of the binary interaction parameters the predicted values differed from the experimental data by about 0.8% for CO 2 mixtures while for H 2 S mixtures the uncertainty was about ±2.8%. Somewhat larger errors, although still lower than ±5%, were obtained for co-existing phase densities; the Lee-Kesler method provided results of the highest accuracy. The cubic equations proposed by Schmidt and Wenzel and Valderrama provide the most reliable predictions of both single and co-existing phase densities. Comparison of the predicted (vapor + liquid) equilibrium with experiment shows that each of the seven cubic equations provides results of similar accuracy and all within ±6%

Spectrophotometric determination of volautile inorganic hydrides in binary gaseous mixtures

International Nuclear Information System (INIS)

Rezchikov, V.G.; Skachkova, I.N.; Kuznetsova, T.S.; Khrushcheva, V.V.

1985-01-01

A study was made on possibility of single and continuons analysis of binary mixtures (hydride-gas) for the content of volatile inorganic hydrides (VIH) from absorption spectra in the 185-280 nm band. Dependences of the percentage of VIH transmission on the wavelength are presented. It is shown that the maximum of their absorption depends on the element-hydrogen the bond length and binding energy. Detection limit for boron hydride was established to be n x 10 -3 % vol at 185-190 nm wavelength. Technique for spectrophotometric hydride determination in binary mixtures with hydrogen, argon, helium was developed. The technique provides the continuous control of gaseous mixture composition

Shear viscosity of binary mixtures: The Gay–Berne potential

International Nuclear Information System (INIS)

Khordad, R.

2012-01-01

Highlights: ► Most useful potential model to study the real systems is the Gay–Berne (GB) potential. ► We use GB model to examine thermodynamical properties of some anisotropic binary mixtures in two different phases. ► The integral equation methods are applied to solve numerically the Percus–Yevick (PY) equation. ► We obtain expansion coefficients of correlation functions needed to calculate the properties of studied mixtures. ► The results are compared with the available experimental data [e.g., HFC-125 + propane, R-125/143a, methanol + toluene, etc.] - Abstract: 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.

A classification system for tableting behaviors of binary powder mixtures

Directory of Open Access Journals (Sweden)

Changquan Calvin Sun

2016-08-01

Full Text Available The ability to predict tableting properties of a powder mixture from individual components is of both fundamental and practical importance to the efficient formulation development of tablet products. A common tableting classification system (TCS of binary powder mixtures facilitates the systematic development of new knowledge in this direction. Based on the dependence of tablet tensile strength on weight fraction in a binary mixture, three main types of tableting behavior are identified. Each type is further divided to arrive at a total of 15 sub-classes. The proposed classification system lays a framework for a better understanding of powder interactions during compaction. Potential applications and limitations of this classification system are discussed.

Phase equilibria of binary mixtures by molecular simulation and cubic equations of state

Directory of Open Access Journals (Sweden)

Cabral V.F.

2001-01-01

Full Text Available Molecular simulation data were used to study the performance of equations of state (EoS and combining rules usually employed in thermodynamic property calculations. The Monte Carlo method and the Gibbs ensemble technique were used for determining composition and densities of vapor and liquid phases in equilibrium for binary mixtures of Lennard-Jones fluids. Simulation results are compared to data in the literature and to those calculated by the t-PR-LJ EoS. The use of adequate combining rules has been shown to be very important for the satisfactory representation of molecular simulation data.

Gas suspension flows of a moderately dense binary mixture of solid particles in vertical tubes

Energy Technology Data Exchange (ETDEWEB)

Zamankhan, P.; Huotari, J. [VTT Energy, Jyvaeskylae (Finland). Combustion and Conversion Lab.

1996-12-01

The turbulent, steady, fully-developed flow of a moderately dense (solid volume faction >>0.001) binary mixture of spherical particles in a gaseous carrier is investigated for the case of flow in a vertical riser. The suspended particles are considered to be in turbulent motion, driven by random aerodynamic forces acting between the particle and the gaseous carrier as well as particle-particle interactive forces. A model is constructed based on the combination of the time-averaged after volume-averaged conservation equations of mass, momentum and mechanical energy of the gas phase in the continuum theory and the corresponding equations for the solid particles obtained using the recently developed Enskog theory for dense multi-component mixtures of slightly inelastic spherical particles. The model properly takes into account the contributions of particle-particle collisions, as well as the fluid-dynamic fluctuating forces on individual particles. To demonstrate the validity of this approach, the fully-developed steady-state mean velocity and concentration distributions of a moderately dense binary mixture of solid particles in a turbulent vertical flow calculated by the present model are compared with available experimental measurements. The results provide a qualitative description of the experimentally observed motion of coarse particles in a fast bed of fine solids. (author)

Spectrophotometric determination of rare earths in binary mixtures

International Nuclear Information System (INIS)

Krasnova, A.V.; Shvarev, V.S.

1978-01-01

The possibility was investigated of using the reaction with brompyrogallol red (BPR) (dibrompyrogallosulfophthalein) for analyzing binary mixtures of rare earth metals close in ordinal numbers (La-Y, La-Eu, La-Sm, La-Nd, Nd-Y, Nd-Eu). Heavy REM are masked by nitrile-acetic acid (NAA). The experimental design method was used to determine optimum conditions. The optimizing parameters were the optical density measured with respect to water and the amount of the component bound into the complex. It was found that optimum conditions for the analysis of investigated mixtures differ only in the amount of NAA necessary to mask the heavy element [NAA]/[Sm 3+ ]=4; [NAA]/[Eu 3+ ]=5; [NAA]/Nb 3+ ]=10; [NAA]/[Y 3+ ]=2.5. The optimum acidity and the amount of BPR are always the same: pH 6.5; [BPR]/[La 3+ ]=[BPR]/[Nd 3+ ]=4. The given method for analyzing binary mixtures of lanthanoids surpasses considerably in sensitivity the methods based on intrinsic absorption spectra, while retaining the same reproducibility

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

International Nuclear Information System (INIS)

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

2016-01-01

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 0.1 mg/L 4MBC but returned to normal levels after exposure to mixtures of 4MBC with 0.1, 1, and 10 mg/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. - Highlights: • Chironomus riparius is sensitive to UV filter binary mixtures. • UV filters binary mixtures show antagonism on survival of 4th instar larvae. • BP-3 and OMC antagonize the stimulatory effect of 4MBC on EcR gene. • 4MBC, OMC, and BP-3 induce hsp70

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

Energy Technology Data Exchange (ETDEWEB)

Ozáez, Irene; Morcillo, Gloria; Martínez-Guitarte, José-Luis, E-mail: jlmartinez@ccia.uned.es

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 0.1 mg/L 4MBC but returned to normal levels after exposure to mixtures of 4MBC with 0.1, 1, and 10 mg/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. - Highlights: • Chironomus riparius is sensitive to UV filter binary mixtures. • UV filters binary mixtures show antagonism on survival of 4th instar larvae. • BP-3 and OMC antagonize the stimulatory effect of 4MBC on EcR gene. • 4MBC, OMC, and BP-3 induce hsp70

Wavelength selection in traveling-wave convection in a fluid mixture

International Nuclear Information System (INIS)

Surko, C.M.; Eaton, K.D.; Baxter, G.W.; Iwata, K.

1993-01-01

The mechanisms by which a one-dimensional pattern of traveling waves changes wavelength (i.e. the Eckhaus instability) is studied in a binary fluid mixture. Propagating wavelength modulations develop when the Rayleigh number of the system is decreased below a wavelength-dependent threshold, commonly referred to as the Eckhaus boundary. These wavelength modulations increase in amplitude and narrow in spatial extent until they trigger the creation or annihilation of convection roll pairs and thereby change the average wavelength of the system. The authors find qualitatively different dynamics for wavelength-increasing events and wavelength-decreasing events; these differences are due to the strong wavelength dependence of the group velocity

Thermophysical properties of supercritical fluids and fluid mixtures

International Nuclear Information System (INIS)

Sengers, J.V.

1991-07-01

This research is concerned with the development of a quantitative scientific description of the thermodynamic and transport properties of supercritical and subcritical fluids and fluid mixtures. It is known that the thermophysical properties of fluids and fluid mixtures asymptotically close to the critical point satisfy scaling laws with universal critical exponents and universal scaling functions. However, the range of validity of these asymptotic scaling laws is quite small. As a consequence, the impact of the modern theory of critical phenomena on chemical engineering has been limited. On the other hand, an a priori estimate of the range of temperatures and densities, where critical fluctuations become significant, can be made on the basis of the so-called Ginzburg criterion. A recent analysis of this criterion suggests that this range is actually quite large and for a fluid like carbon dioxide can easily extend to 100 degrees or so above the critical temperature. Hence, the use of traditional engineering equations like cubic equations is not scientifically justified in a very wide range of temperatures and densities around the critical point. We have therefore embarked on a scientific approach to deal with the global effects of critical fluctuations on the thermophysical properties of fluids and fluid mixtures. For this purpose it is not sufficient to consider the asymptotic critical fluctuations but we need to deal also with the nonasymptotic critical fluctuations. The goal is to develop scientifically based questions that account for the crossover of the thermophysical properties from their asymptotic singular behavior in the near vicinity of the critical point to their regular behavior very far away from the critical point

Thermodynamic studies of mixtures for topical anesthesia: Lidocaine-salol binary phase diagram

Energy Technology Data Exchange (ETDEWEB)

Lazerges, Mathieu [Laboratoire de Chimie Physique (EA 4066), Faculte des Sciences Pharmaceutiques et Biologiques, Universite Paris Descartes, 4 Avenue de l' Observatoire, 75270 Paris Cedex 06 (France); Rietveld, Ivo B., E-mail: ivo.rietveld@parisdescartes.fr [Laboratoire de Chimie Physique (EA 4066), Faculte des Sciences Pharmaceutiques et Biologiques, Universite Paris Descartes, 4 Avenue de l' Observatoire, 75270 Paris Cedex 06 (France); Corvis, Yohann; Ceolin, Rene; Espeau, Philippe [Laboratoire de Chimie Physique (EA 4066), Faculte des Sciences Pharmaceutiques et Biologiques, Universite Paris Descartes, 4 Avenue de l' Observatoire, 75270 Paris Cedex 06 (France)

2010-01-10

The lidocaine-salol binary system has been investigated by differential scanning calorimetry, direct visual observations, and X-ray powder diffraction, resulting in a temperature-composition phase diagram with a eutectic equilibrium. The eutectic mixture, found at 0.423 {+-} 0.007 lidocaine mole-fraction, melts at 18.2 {+-} 0.5 {sup o}C with an enthalpy of 17.3 {+-} 0.5 kJ mol{sup -1}. This indicates that the liquid phase around the eutectic composition is stable at room temperature. Moreover, the undercooled liquid mixture does not easily crystallize. The present binary mixture exhibits eutectic behavior similar to the prilocaine-lidocaine mixture in the widely used EMLA topical anesthetic preparation.

Thermodynamic studies of mixtures for topical anesthesia: Lidocaine-salol binary phase diagram

International Nuclear Information System (INIS)

Lazerges, Mathieu; Rietveld, Ivo B.; Corvis, Yohann; Ceolin, Rene; Espeau, Philippe

2010-01-01

The lidocaine-salol binary system has been investigated by differential scanning calorimetry, direct visual observations, and X-ray powder diffraction, resulting in a temperature-composition phase diagram with a eutectic equilibrium. The eutectic mixture, found at 0.423 ± 0.007 lidocaine mole-fraction, melts at 18.2 ± 0.5 o C with an enthalpy of 17.3 ± 0.5 kJ mol -1 . This indicates that the liquid phase around the eutectic composition is stable at room temperature. Moreover, the undercooled liquid mixture does not easily crystallize. The present binary mixture exhibits eutectic behavior similar to the prilocaine-lidocaine mixture in the widely used EMLA topical anesthetic preparation.

Preferential solvation of fluorenone and 4-hydroxyfluorenone in binary solvent mixtures

International Nuclear Information System (INIS)

Jozefowicz, Marek; Heldt, Janina R.

2003-01-01

Preferential solvation of fluorenone and 4-hydroxyfluorenone in binary solvent mixtures has been studied using steady-state spectroscopic measurements. This study concerns the solvent-induced shift of the absorption and fluorescence spectra of both molecules in two solvent mixtures, i.e., cyclohexane-tetrahydrofuran and cyclohexane-ethanol. The first system contains polar solute molecules, fluorenone and 4-hydroxyfluorenone, in a mixture of polar aprotic (tetrahydrofuran) and non-polar (cyclohexane) solvents. In the second solvents mixture, hydrogen bonding with solute molecules (ethanol) may occur. The results of spectroscopic measurements are analysed using theoretical models of Bakshiev, Mazurenko and Suppan which describe preferential solvation phenomena. In the case of cyclohexane-tetrahydrofuran mixtures, the deviation from linearity in the absorption and fluorescence solvatochromic shifts vs. the solution polarity is due to non-specific dipolar solvent-solute interactions. For cyclohexane-ethanol binary mixtures, both non-specific and specific (hydrogen bond and proton-relay tautomerization) interactions contribute to the observed solvatochromism

Excess molar volumes and isentropic compressibilities of binary ...

Indian Academy of Sciences (India)

Excess molar volume; binary liquid mixtures; isentropic compressibility; intermolecular interactions. ... mixtures are essential for fluid flow, mass flow and heat transfer processes in chemical ... Experimentally determined values of density(ρ).

Composition measurements of binary mixture droplets by rainbow refractometry.

Science.gov (United States)

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.

Composition measurements of binary mixture droplets by rainbow refractometry

International Nuclear Information System (INIS)

Wilms, J.; Weigand, B.

2007-01-01

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

Capillary condensation and adsorption of binary mixtures.

Science.gov (United States)

Weinberger, B; Darkrim-Lamari, F; Levesque, D

2006-06-21

The adsorption of equimolar binary mixtures of hydrogen-carbon dioxide, hydrogen-methane, and methane-carbon dioxide in porous material models is determined by grand canonical Monte Carlo simulations. The material models have an adsorbent surface similar to that of nanofibers with a herringbone structure. Our main result, which is relevant for hydrogen purification and carbon dioxide capture, is that the adsorption selectivities calculated for the mixtures can differ significantly from those deduced from simulations of the adsorption of pure gases, in particular, when one of the adsorbed gases presents a capillary condensation induced by confinement within the pore network. A comparison of our data is also made with theoretical models used in the literature for predicting the properties of the mixture adsorption.

An improved molecular dynamics algorithm to study thermodiffusion in binary hydrocarbon mixtures

Science.gov (United States)

Antoun, Sylvie; Saghir, M. Ziad; Srinivasan, Seshasai

2018-03-01

In multicomponent liquid mixtures, the diffusion flow of chemical species can be induced by temperature gradients, which leads to a separation of the constituent components. This cross effect between temperature and concentration is known as thermodiffusion or the Ludwig-Soret effect. The performance of boundary driven non-equilibrium molecular dynamics along with the enhanced heat exchange (eHEX) algorithm was studied by assessing the thermodiffusion process in n-pentane/n-decane (nC5-nC10) binary mixtures. The eHEX algorithm consists of an extended version of the HEX algorithm with an improved energy conservation property. In addition to this, the transferable potentials for phase equilibria-united atom force field were employed in all molecular dynamics (MD) simulations to precisely model the molecular interactions in the fluid. The Soret coefficients of the n-pentane/n-decane (nC5-nC10) mixture for three different compositions (at 300.15 K and 0.1 MPa) were calculated and compared with the experimental data and other MD results available in the literature. Results of our newly employed MD algorithm showed great agreement with experimental data and a better accuracy compared to other MD procedures.

Shear viscosity of binary mixtures: The Gay-Berne potential

Science.gov (United States)

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.

Low-temperature behaviour of the Kob-Andersen binary mixture

International Nuclear Information System (INIS)

Ashwin S S; Sastry, Srikanth

2003-01-01

The dynamical behaviours of glass-forming liquids have been analysed extensively via computer simulations of model liquids, among which the Kob-Andersen binary Lennard-Jones mixture has been a widely studied system. Typically, studies of this model have been restricted to temperatures above the mode coupling temperature. Preliminary results concerning the dynamics of the Kob-Andersen binary mixture are presented at temperatures that extend below the mode coupling temperature, along with properties of the local energy minima sampled. These results show that a crossover in the dynamics occurs alongside changes in the properties of the inherent structures sampled. Furthermore, a crossover is observed from non-Arrhenius behaviour of the diffusivity above the mode coupling temperature to Arrhenius behaviour at lower temperatures

Modeling the effects of binary mixtures on survival in time.

NARCIS (Netherlands)

Baas, J.; van Houte, B.P.P.; van Gestel, C.A.M.; Kooijman, S.A.L.M.

2007-01-01

In general, effects of mixtures are difficult to describe, and most of the models in use are descriptive in nature and lack a strong mechanistic basis. The aim of this experiment was to develop a process-based model for the interpretation of mixture toxicity measurements, with effects of binary

Superlattice configurations in linear chain hydrocarbon binary mixtures

Indian Academy of Sciences (India)

Unknown

Long-chain alkanes; binary mixtures; superlattices; discrete orientational changes. 1. Introduction ... tem and a model of superlattice configuration was proposed4, in terms of .... C18 system,4 the angle with value = 3⋅3° was seen to play an ...

Cosmological models described by a mixture of van der Waals fluid and dark energy

International Nuclear Information System (INIS)

Kremer, G.M.

2003-01-01

The Universe is modeled as a binary mixture whose constituents are described by a van der Waals fluid and by a dark energy density. The dark energy density is considered either as quintessence or as the Chaplygin gas. The irreversible processes concerning the energy transfer between the van der Waals fluid and the gravitational field are taken into account. This model can simulate (a) an inflationary period where the acceleration grows exponentially and the van der Waals fluid behaves like an inflaton, (b) an accelerated period where the acceleration is positive but it decreases and tends to zero whereas the energy density of the van der Waals fluid decays, (c) a decelerated period which corresponds to a matter dominated period with a non-negative pressure, and (d) a present accelerated period where the dark energy density outweighs the energy density of the van der Waals fluid

in Binary Liquid Mixtures of Ethyl benzoate

Directory of Open Access Journals (Sweden)

Shaik Babu

2012-01-01

Full Text Available Ultrasonic velocity is measured at 2MHz frequency in the binary mixtures of Ethyl Benzoate with 1-Propanol, 1-Butanol, 1-Pentanol and theoretical values of ultrasonic velocity have been evaluated at 303K using Nomoto's relation, Impedance relation, Ideal mixture relation, Junjie's method and free length theory. Theoretical values are compared with the experimental values and the validity of the theories is checked by applying the chi-square test for goodness of fit and by calculating the average percentage error (APE. A good agreement has been found between experimental and Nomoto’s ultrasonic velocity.

Quasi-Chemical PC-SAFT: An Extended Perturbed Chain-Statistical Associating Fluid Theory for Lattice-Fluid Mixtures.

Science.gov (United States)

Parvaneh, Khalil; Shariati, Alireza

2017-09-07

In this study, a new modification of the perturbed chain-statistical associating fluid theory (PC-SAFT) has been proposed by incorporating the lattice fluid theory of Guggenheim as an additional term to the original PC-SAFT terms. As the proposed model has one more term than the PC-SAFT, a new mixing rule has been developed especially for the new additional term, while for the conventional terms of the PC-SAFT, the one-fluid mixing rule is used. In order to evaluate the proposed model, the vapor-liquid equilibria were estimated for binary CO 2 mixtures with 16 different ionic liquids (ILs) of the 1-alkyl-3-methylimidazolium family with various anions consisting of bis(trifluoromethylsulfonyl) imide, hexafluorophosphate, tetrafluoroborate, and trifluoromethanesulfonate. For a comprehensive comparison, three different modes (different adjustable parameters) of the proposed model were compared with the conventional PC-SAFT. Results indicate that the proposed modification of the PC-SAFT EoS is generally more reliable with respect to the conventional PC-SAFT in all the three proposed modes of vapor-liquid equilibria, giving good agreement with literature data.

Thermophysical properties of supercritical fluids and fluid mixtures

International Nuclear Information System (INIS)

Sengers, J.V.

1989-08-01

The purpose of the research is to extend the theory of critical phenomena in fluids and fluid mixtures to obtain scientifically based equations that include the crossover from the asymptotic singular behavior of the thermophysical properties close to the critical point to the regular behavior of these properties far away from the critical point

Composition dependent non-ideality in aqueous binary mixtures as ...

Indian Academy of Sciences (India)

understanding in the molecular level. The origin of the .... analysis of inherent structures (IS) of binary mixture in ... liminary molecular dynamics simulation to equilibrate the system at ..... the clusters gradually increase as the concentration of.

Thermodynamics Properties of Binary Gas Mixtures for Brayton Space Nuclear Power System

International Nuclear Information System (INIS)

You Ersheng; Shi Lei; Zhang Zuoyi

2014-01-01

Space nuclear power system with closed Brayton cycle has the potential advantages of high cycle efficiency. It can be achieved to limit the specific mass of the system with a competitive design scheme, so as to strengthen the advantage of the nuclear energy applying in space propulsion and electric generating compared to solar or chemical propellant. Whereby, the thermodynamic properties of working fluids have a significant influence on the performance of the plant. Therefore, two binary mixtures helium-nitrogen and helium-carbon dioxide are introduced to analysis the variation in the transport and heat transfer capacity of working fluids. Based on the parameters of pure gases, the heat transfer coefficient, pressure losses and aerodynamic loading are calculated as a function of mole fraction at the temperature of 400 K and 1200 K, as well as the typical operating pressure of 2 MPa. Results indicated that the mixture of helium-carbon dioxide with a mole fraction of 0.4 is a more attractive choice for the high heat transfer coefficient, low aerodynamic loading and acceptable pressure losses in contrast to helium-nitrogen and other mixing ratios of helium-carbon dioxide. Its heat transfer coefficient is almost 20% more than that of pure helium and the normalized aerodynamic loading is less than 34% at 1200 K. However; the pressure losses are a little higher with ~3.5 times those of pure helium. (author)

Study of the influence of diffusion on the flow velocity, for binary mixtures in Poiseuille and Couette flows

International Nuclear Information System (INIS)

Caetano Filho, E.

1981-05-01

The influence of diffusion on the flow of binary mixtures of incompressible fluids in POISEUILLE and COUETTE flows, is studied. The constitutive equations sugested by SAMPAIO and WILLIAMS and by STRUMINSKII for the constituent stress tensor and for the diffusive force are used. Results show that diffusion does not influence the flow in the case of planar and circular COUETTE flows. On the other hand, diffusion does play an important part in planar and circular POISEUILLE flows. (Author) [pt

Phase behaviour, interactions, and structural studies of (amines+ionic liquids) binary mixtures.

Science.gov (United States)

Jacquemin, Johan; Bendová, Magdalena; Sedláková, Zuzana; Blesic, Marijana; Holbrey, John D; Mullan, Claire L; Youngs, Tristan G A; Pison, Laure; Wagner, Zdeněk; Aim, Karel; Costa Gomes, Margarida F; Hardacre, Christopher

2012-05-14

We present a study on the phase equilibrium behaviour of binary mixtures containing two 1-alkyl-3-methylimidazolium bis{(trifluoromethyl)sulfonyl}imide-based ionic liquids, [C(n)mim] [NTf(2)] (n=2 and 4), mixed with diethylamine or triethylamine as a function of temperature and composition using different experimental techniques. Based on this work, two systems showing an LCST and one system with a possible hourglass shape are measured. Their phase behaviours are then correlated and predicted by using Flory-Huggins equations and the UNIQUAC method implemented in Aspen. The potential of the COSMO-RS methodology to predict the phase equilibria was also tested for the binary systems studied. However, this methodology is unable to predict the trends obtained experimentally, limiting its use for systems involving amines in ionic liquids. The liquid-state structure of the binary mixture ([C(2)mim] [NTf(2)]+diethylamine) is also investigated by molecular dynamics simulation and neutron diffraction. Finally, the absorption of gaseous ethane by the ([C(2)mim][NTf(2)]+diethylamine) binary mixture is determined and compared with that observed in the pure solvents. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A Variational approach to thin film hydrodynamics of binary mixtures

KAUST Repository

Xu, Xinpeng

2015-02-04

In order to model the dynamics of thin films of mixtures, solutions, and suspensions, a thermodynamically consistent formulation is needed such that various coexisting dissipative processes with cross couplings can be correctly described in the presence of capillarity, wettability, and mixing effects. In the present work, we apply Onsager\\'s variational principle to the formulation of thin film hydrodynamics for binary fluid mixtures. We first derive the dynamic equations in two spatial dimensions, one along the substrate and the other normal to the substrate. Then, using long-wave asymptotics, we derive the thin film equations in one spatial dimension along the substrate. This enables us to establish the connection between the present variational approach and the gradient dynamics formulation for thin films. It is shown that for the mobility matrix in the gradient dynamics description, Onsager\\'s reciprocal symmetry is automatically preserved by the variational derivation. Furthermore, using local hydrodynamic variables, our variational approach is capable of introducing diffusive dissipation beyond the limit of dilute solute. Supplemented with a Flory-Huggins-type mixing free energy, our variational approach leads to a thin film model that treats solvent and solute in a symmetric manner. Our approach can be further generalized to include more complicated free energy and additional dissipative processes.

Quantitative Characterization of the Toxicities of Cd-Ni and Cd-Cr Binary Mixtures Using Combination Index Method

Directory of Open Access Journals (Sweden)

Lingyun Mo

2016-01-01

Full Text Available Direct equipartition ray design was used to construct Cd-Ni and Cd-Cr binary mixtures. Microplate toxicity analysis was used to evaluate the toxicity of individual substance and the Cd-Ni and Cd-Cr mixtures on Chlorella pyrenoidosa and Selenastrum capricornutum. The interacting toxicity of the mixture was analyzed with concentration addition (CA model. In addition, combination index method (CI was proposed and used to quantitatively characterize the toxicity of the binary mixtures of Cd-Ni and Cd-Cr observed in experiment and find the degree of deviation from the predicted outcome of the CA model, that is, the intensity of interacting toxicity. Results indicate that most of the 20 binary mixtures exhibit enhancing and synergistic effect, and only Cd-Cr-R4 and Cd-Cr-R5 mixtures have relatively high antagonistic effects against C. pyrenoidosa. Based on confidence interval, CI can compare the intensities of interaction of the mixtures under varying levels of effect. The characterization methods are applicable for analyzing binary mixture with complex interaction.

Experimental vapor-liquid equilibria data for binary mixtures of xylene isomers

Directory of Open Access Journals (Sweden)

W.L. Rodrigues

2005-09-01

Full Text Available Separation of aromatic C8 compounds by distillation is a difficult task due to the low relative volatilities of the compounds and to the high degree of purity required of the final commercial products. For rigorous simulation and optimization of this separation, the use of a model capable of describing vapor-liquid equilibria accurately is necessary. Nevertheless, experimental data are not available for all binaries at atmospheric pressure. Vapor-liquid equilibria data for binary mixtures were isobarically obtained with a modified Fischer cell at 100.65 kPa. The vapor and liquid phase compositions were analyzed with a gas chromatograph. The methodology was initially tested for cyclo-hexane+n-heptane data; results obtained are similar to other data in the literature. Data for xylene binary mixtures were then obtained, and after testing, were considered to be thermodynamically consistent. Experimental data were regressed with Aspen Plus® 10.1 and binary interaction parameters were reported for the most frequently used activity coefficient models and for the classic mixing rules of two cubic equations of state.

Mesoscopic electrohydrodynamic simulations of binary colloidal suspensions

NARCIS (Netherlands)

Rivas, Nicolas; Frijters, Stefan; Pagonabarraga, Ignacio; Harting, Jens

2018-01-01

A model is presented for the solution of electrokinetic phenomena of colloidal suspensions in fluid mixtures. We solve the discrete Boltzmann equation with a Bhatnagar-Gross-Krook collision operator using the lattice Boltzmann method to simulate binary fluid flows. Solvent-solvent and solvent-solute

Surface tension of decane binary and ternary mixtures with eicosane, docosane, and tetracosane

DEFF Research Database (Denmark)

Queimada, Antonio; Cao, A.I.; Marrucho, I.M.

2005-01-01

-C24H50 and the ternary n-C10H22 + n-C20H42 + n-C24H50 were measured from 293.15 K (or above the solution melting temperature) up to 343.15 K. An average absolute deviation of 1.3% was obtained in comparison with pure component literature data. No mixture information for the reported systems was found......A tensiometer operating on the Wilhelmy plate method was employed to measure liquid-vapor interfacial tensions of three binary mixtures and one ternary mixture of decane with eicosane, docosane, and tetracosane. Tensions of binary mixtures n-C10H22 + n-C20H42, n-C10H22 + n-C22H46, and n-C10H22 + n...

Non-linearity parameter of binary liquid mixtures at elevated pressures

Indian Academy of Sciences (India)

. Ultrasonic studies in liquid mixtures provide valuable information about structure and interaction in such systems. The present investigation comprises of theoretical evaluation of the acoustic non-linearity parameter / of four binary liquid ...

Steady-state organization of binary mixtures by active impurities

DEFF Research Database (Denmark)

Sabra, Mads Christian; Gilhøj, Henriette; Mouritsen, Ole G.

1998-01-01

The structural reorganization of a phase-separated binary mixture in the presence of an annealed dilution of active impurities is studied by computer-simulation techniques via a simple two-dimensional lattice-gas model. The impurities, each of which has two internal states with different affinity...

Quantitative structure activity relationships (QSAR) for binary mixtures at non-equitoxic ratios based on toxic ratios-effects curves.

Science.gov (United States)

Tian, Dayong; Lin, Zhifen; Yin, Daqiang

2013-01-01

The present study proposed a QSAR model to predict joint effects at non-equitoxic ratios for binary mixtures containing reactive toxicants, cyanogenic compounds and aldehydes. Toxicity of single and binary mixtures was measured by quantifying the decrease in light emission from the Photobacterium phosphoreum for 15 min. The joint effects of binary mixtures (TU sum) can thus be obtained. The results showed that the relationships between toxic ratios of the individual chemicals and their joint effects can be described by normal distribution function. Based on normal distribution equations, the joint effects of binary mixtures at non-equitoxic ratios ( [Formula: see text]) can be predicted quantitatively using the joint effects at equitoxic ratios ( [Formula: see text]). Combined with a QSAR model of [Formula: see text]in our previous work, a novel QSAR model can be proposed to predict the joint effects of mixtures at non-equitoxic ratios ( [Formula: see text]). The proposed model has been validated using additional mixtures other than the one used for the development of the model. Predicted and observed results were similar (p>0.05). This study provides an approach to the prediction of joint effects for binary mixtures at non-equitoxic ratios.

VISCOSITY OF BINARY NON-ELECTROLYTE LIQUID MIXTURES: PREDICTION AND CORRELATION

Directory of Open Access Journals (Sweden)

Mirjana Lj. Kijevčanin

2008-11-01

Full Text Available The viscosity of 31 binary liquid mixtures containing diverse groups of organic compounds, determined at atmospheric pressure: alcohols, alkanes (cyclo and aliphatic, esters, aromatics, ketones etc., were calculated using two different approaches, correlative (with Teja-Rice and McAllister models and predictive by group contribution models (UNIFAC-VISCO, ASOG-VISCO and Grunberg-Nissan. The obtained results were analysed in terms of the applied approach and model, the structure of the investigated mixtures, the nature of components of the mixtures and the influence of alkyl chain length of the alcohol molecule.

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part II: Binary mixtures with CO2

DEFF Research Database (Denmark)

Tsivintzelis, Ioannis; Kontogeorgis, Georgios; Michelsen, Michael Locht

2011-01-01

In Part I of this series of articles, the study of H2S mixtures has been presented with CPA. In this study the phase behavior of CO2 containing mixtures is modeled. Binary mixtures with water, alcohols, glycols and hydrocarbons are investigated. Both phase equilibria (vapor–liquid and liquid–liqu...

Excess molar enthalpies for binary mixtures of different amines with water

International Nuclear Information System (INIS)

Zhang, Ruilei; Chen, Jian; Mi, Jianguo

2015-01-01

Highlights: • Isothermal excess molar enthalpies for binary mixtures of different amines with water. • The Redlich–Kister equation and the NRTL model was used to fit the experimental data. • The excess molar enthalpies were discussed with different structures of amines. - Abstract: The isothermal excess molar enthalpies for binary mixtures of different amines with water were measured with a C-80 Setaram calorimeter. The experimental results indicate that the excess molar enthalpy is related to the molecular structure. The experimental excess molar enthalpies were satisfactorily fitted with the Redlich–Kister equation. They were also used to test the suitability of the NRTL model, and the deviations are a little larger than the R–K equation

Modeling and analysis of advanced binary cycles

Energy Technology Data Exchange (ETDEWEB)

Gawlik, K.

1997-12-31

A computer model (Cycle Analysis Simulation Tool, CAST) and a methodology have been developed to perform value analysis for small, low- to moderate-temperature binary geothermal power plants. The value analysis method allows for incremental changes in the levelized electricity cost (LEC) to be determined between a baseline plant and a modified plant. Thermodynamic cycle analyses and component sizing are carried out in the model followed by economic analysis which provides LEC results. The emphasis of the present work is on evaluating the effect of mixed working fluids instead of pure fluids on the LEC of a geothermal binary plant that uses a simple Organic Rankine Cycle. Four resources were studied spanning the range of 265{degrees}F to 375{degrees}F. A variety of isobutane and propane based mixtures, in addition to pure fluids, were used as working fluids. This study shows that the use of propane mixtures at a 265{degrees}F resource can reduce the LEC by 24% when compared to a base case value that utilizes commercial isobutane as its working fluid. The cost savings drop to 6% for a 375{degrees}F resource, where an isobutane mixture is favored. Supercritical cycles were found to have the lowest cost at all resources.

Investigation on some thermophysical properties of poly(ethylene glycol) binary mixtures at different temperatures

International Nuclear Information System (INIS)

Moosavi, Mehrdad; Motahari, Ahmad; Omrani, Abdollah; Rostami, Abbas Ali

2013-01-01

Highlights: ► Measuring densities and viscosities for binary mixtures of PEG + water or alcohols. ► Finding excess molar volume, refractive index and coefficient of thermal expansion. ► Estimating binary coefficients using Redlich–Kister polynomial equation. ► Deducing excess Gibbs free energy of activation and other activation parameters. ► Correlation of viscosity data with Grunberg–Nissan and Tamura–Kurata equations. -- Abstract: Densities ρ and viscosities η for the binary mixtures of poly(ethylene glycol) + water, + 1,2-ethanediol, + 1,3-propanediol, + 1,4-butanediol over the entire concentration range were determined at temperatures (298.15 to 308.15) K with 5 K interval. The experimental data were used to calculate the excess molar volume V m E , coefficient of thermal expansion α, excess coefficient of thermal expansion α E , excess Gibbs free energy of activation ΔG ∗E , and other activation parameters (i.e., ΔG ∗ ,ΔH ∗ ,ΔS ∗ ). The values of excess properties were fitted to Redlich–Kister polynomial equation to estimate the binary coefficients. The excess refractive index n E and electronic polarizability α e of PEG + water binary mixtures were also determined from the experimental values of refractive indices. The viscosity data were correlated with Grunberg–Nissan and Tamura–Kurata equations. Moreover, the Prigogine–Flory–Patterson theory has been used to correlate the excess molar volumes of the studied mixtures

Extension of the new proposed association equation of state (AEOS) to associating fluid mixtures

International Nuclear Information System (INIS)

Rezaei, H.; Modarress, H.; Mohsen-Nia, M.

2010-01-01

Recently, a new statistical mechanic-based equation of state has been proposed by Mohsen-Nia and Modarress [M. Mohsen-Nia, H. Modarress, Chem. Phys. 336 (2007) 22-26] for associating pure fluids. The new association equation of state (AEOS) was successfully applied to calculate the saturated properties of water, methanol, and ammonia. In this work, the new proposed AEOS is used to evaluate the (vapour + liquid) equilibrium (VLE) of 25 associating pure compounds and the adjusted parameters are reported. The new AEOS is also extended to mixtures containing associating and non-associating compounds. The calculated saturated properties of the pure compounds are compared with those calculated by other AEOSs. The results of VLE calculation for various binary mixtures such as: alcohol/hydrocarbon, alcohol/CO 2 , alcohol/aromatic-hydrocarbons, and the quaternary system (H 2 O/CH 4 /CO 2 /H 2 S) indicate the capability of the new proposed AEOS for associating pure and mixture calculations.

Reduced viscosity interpreted for fluid/gas mixtures

Science.gov (United States)

Lewis, D. H.

1981-01-01

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

Flash-Point prediction for binary partially miscible aqueous-organic mixtures

OpenAIRE

Liaw, Horng-Jang; Chen, Chien Tsun; Gerbaud, Vincent

2008-01-01

Flash point is the most important variable used to characterize fire and explosion hazard of liquids. Herein, partially miscible mixtures are presented within the context of liquid-liquid extraction processes and heterogeneous distillation processes. This paper describes development of a model for predicting the flash point of binary partially miscible mixtures of aqueous-organic system. To confirm the predictive efficiency of the derived flash points, the model was verified by comparing the ...

Photoacoustic study of heated binary mixtures containing whey and skimmed-milk powders

NARCIS (Netherlands)

Doka, O.; Bicanic, D.; Frankhuizen, R.

1999-01-01

A novel methodology is proposed to determine the amount of whey powder in a binary mixture containing whey and skimmed-milk powders. This new approach is based on measurement of the amplitude of the photoacoustic (PA) signal obtained when the mixture is exposed to a controlled thermal treatment; the

Statistical mechanics of binary mixture adsorption in metal-organic frameworks in the osmotic ensemble

Science.gov (United States)

Dunne, Lawrence J.; Manos, George

2018-03-01

Although crucial for designing separation processes little is known experimentally about multi-component adsorption isotherms in comparison with pure single components. Very few binary mixture adsorption isotherms are to be found in the literature and information about isotherms over a wide range of gas-phase composition and mechanical pressures and temperature is lacking. Here, we present a quasi-one-dimensional statistical mechanical model of binary mixture adsorption in metal-organic frameworks (MOFs) treated exactly by a transfer matrix method in the osmotic ensemble. The experimental parameter space may be very complex and investigations into multi-component mixture adsorption may be guided by theoretical insights. The approach successfully models breathing structural transitions induced by adsorption giving a good account of the shape of adsorption isotherms of CO2 and CH4 adsorption in MIL-53(Al). Binary mixture isotherms and co-adsorption-phase diagrams are also calculated and found to give a good description of the experimental trends in these properties and because of the wide model parameter range which reproduces this behaviour suggests that this is generic to MOFs. Finally, a study is made of the influence of mechanical pressure on the shape of CO2 and CH4 adsorption isotherms in MIL-53(Al). Quite modest mechanical pressures can induce significant changes to isotherm shapes in MOFs with implications for binary mixture separation processes. This article is part of the theme issue `Modern theoretical chemistry'.

Solubilities of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures

International Nuclear Information System (INIS)

Wang, Hui; Wang, Qinbo; Xiong, Zhenhua; Chen, Chuxiong; Shen, Binwei

2015-01-01

Highlights: • Solubilities of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were measured at 1 atm. • The experimental temperature ranges at (298.35 to 355.65) K. • Effects of benzyl alcohol mass concentration at (0.00 to 1.00) on the solubilities of benzoic acid were studied. • The experimental data were correlated with NRTL model. • Thermodynamic functions of dissolution of benzoic acid in (benzyl alcohol + benzaldehyde) mixtures were discussed. - Abstract: The solubility of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures was measured at temperature from (298.35 to 355.65) K and atmospheric pressure. The measured solubility increases with the increasing temperature at constant solvent composition. The effects of mass fraction benzaldehyde in the solvent mixtures at (0.0 to 1.00) on the solubility were studied. The measured solubility decreases with the increasing mass fraction of benzaldehyde. The experimental results were correlated with the non-random two-liquid (NRTL) equations, and good agreement between the correlated and the experimental values was obtained. Thermodynamic functions for the solution of benzoic acid in binary (benzyl alcohol + benzaldehyde) solvent mixtures were calculated with the van’t Hoff plot. The apparent dissolution Gibbs free energy change was also calculated

Non-linearity parameter of binary liquid mixtures at elevated pressures

Indian Academy of Sciences (India)

parameter B/A of four binary liquid mixtures using Tong and Dong equation at high pressures and .... in general as regular or ideal as no recognized association takes place between the unlike molecules. In this case ... Using the definition and.

Prediction of the Flash Point of Binary and Ternary Straight-Chain Alkane Mixtures

Directory of Open Access Journals (Sweden)

X. Li

2014-01-01

Full Text Available The flash point is an important physical property used to estimate the fire hazard of a flammable liquid. To avoid the occurrence of fire or explosion, many models are used to predict the flash point; however, these models are complex, and the calculation process is cumbersome. For pure flammable substances, the research for predicting the flash point is systematic and comprehensive. For multicomponent mixtures, especially a hydrocarbon mixture, the current research is insufficient to predict the flash point. In this study, a model was developed to predict the flash point of straight-chain alkane mixtures using a simple calculation process. The pressure, activity coefficient, and other associated physicochemical parameters are not required for the calculation in the proposed model. A series of flash points of binary and ternary mixtures of straight-chain alkanes were determined. The results of the model present consistent experimental results with an average absolute deviation for the binary mixtures of 0.7% or lower and an average absolute deviation for the ternary mixtures of 1.03% or lower.

Excess Molar Volumes and Viscosities of Binary Mixture of Diethyl Carbonate+Ethanol at Different Temperatures

Institute of Scientific and Technical Information of China (English)

MA Peisheng; LI Nannan

2005-01-01

The purpose of this work was to report excess molar volumes and dynamic viscosities of the binary mixture of diethyl carbonate (DEC)+ethanol. Densities and viscosities of the binary mixture of DEC+ethanol at temperatures 293.15 K-343.15 K and atmospheric pressure were determined over the entire composition range. Densities of the binary mixture of DEC+ethanol were measured by using a vibrating U-shaped sample tube densimeter. Viscosities were determined by using Ubbelohde suspended-level viscometer. Densities are accurate to 1.0×10-5 g·cm-3, and viscosities are reproducible within ±0.003 mPa·s. From these data, excess molar volumes and deviations in viscosity were calculated. Positive excess molar volumes and negative deviations in viscosity for DEC+ethanol system are due to the strong specific interactions.All excess molar vo-lumes and deviations in viscosity fit to the Redlich-Kister polynomial equation.The fitting parameters were presented,and the average deviations and standard deviations were also calculated.The errors of correlation are very small.It proves that it is valuable for estimating densities and viscosities of the binary mixture by the correlated equation.

Shock formation in mixtures of fluids

International Nuclear Information System (INIS)

Virgopia, N.; Ferraioli, F.

1987-01-01

The problem of weak-discontinuity propagation in mixtures of two ideal fluids is examined. The presence of exchenge of momentum reduces or enhances the time for shock formation depending on the machanism with whom the exchange of momentum takes place. Numerical evaluation are also presented for mixtures of nitrogen and oxygen simulating dry-air models

Chemical composition and binary mixture of human urinary stones using FT-Raman spectroscopy method.

Science.gov (United States)

Selvaraju, R; Raja, A; Thiruppathi, G

2013-10-01

In the present study the human urinary stones were observed in their different chemical compositions of calcium oxalate monohydrate, calcium oxalate dihydrate, calcium phosphate, struvite (magnesium ammonium phosphate), uric acid, cystine, oxammite (ammonium oxalate monohydrate), natroxalate (sodium oxalate), glushinkite (magnesium oxalate dihydrate) and moolooite (copper oxalate) were analyzed using Fourier Transform-Raman (FT-Raman) spectroscopy. For the quantitative analysis, various human urinary stone samples are used for ratios calculation of binary mixtures compositions such as COM/COD, HAP/COD, HAP/COD, Uric acid/COM, uric acid/COD and uric acid/HAP. The calibration curve is used for further analysis of binary mixture of human urinary stones. For the binary mixture calculation the various intensities bands at 1462 cm(-1) (I(COM)), 1473 cm(-1) (I(COD)), 961 cm(-1) (I(HAP)) and 1282 cm(-1) (I(UA)) were used. Copyright © 2013 Elsevier B.V. All rights reserved.

Phase behaviour of symmetric binary mixtures with partially miscible components in slit-like pores. Application of the fundamental measure density functional approach

CERN Document Server

Martínez, A; Patrykiejew, A; Sokolowski, S

2003-01-01

We investigate adsorption in slit-like pores of model symmetric binary mixtures exhibiting demixing in bulk phase, by using a density functional approach. Our focus is on the evaluation of the first-order phase transitions in adsorbed fluids and the lines separating mixed and demixed phases. The scenario for phase transitions is sensitive to the pore width and to the energy of adsorption. Both these parameters can change the phase diagrams of the confined fluid. In particular, for relatively wide pores and for strong wall-fluid interactions, the demixing line can precede the first-order transition. Moreover, a competition between layering transitions and demixing within particular layers also leads to further enrichment of the phase diagram.

Capillary Condensation of Binary and Ternary Mixtures of n-Pentane-Isopentane-CO2 in Nanopores: An Experimental Study on the Effects of Composition and Equilibrium.

Science.gov (United States)

Barsotti, Elizabeth; Saraji, Soheil; Tan, Sugata P; Piri, Mohammad

2018-02-06

Confinement in nanopores can significantly impact the chemical and physical behavior of fluids. While some quantitative understanding is available for how pure fluids behave in nanopores, there is little such insight for mixtures. This study aims to shed light on how nanoporosity impacts the phase behavior and composition of confined mixtures through comparison of the effects of static and dynamic equilibrium on experimentally measured isotherms and chromatographic analysis of the experimental fluids. To this end, a novel gravimetric apparatus is introduced and validated. Unlike apparatuses that have been previously used to study the confinement-induced phase behavior of fluids, this apparatus employs a gravimetric technique capable of discerning phase transitions in a wide variety of nanoporous media under both static and dynamic conditions. The apparatus was successfully validated against data in the literature for pure carbon dioxide and n-pentane. Then, isotherms were generated for binary mixtures of carbon dioxide and n-pentane using static and flow-through methods. Finally, two ternary mixtures of carbon dioxide, n-pentane, and isopentane were measured using the static method. While the equilibrium time was found important for determination of confined phase transitions, flow rate in the dynamic method was not found to affect the confined phase behavior. For all measurements, the results indicate qualitative transferability of the bulk phase behavior to the confined fluid.

Evaluation of Thermodynamic Models for Predicting Phase Equilibria of CO2 + Impurity Binary Mixture

Science.gov (United States)

Shin, Byeong Soo; Rho, Won Gu; You, Seong-Sik; Kang, Jeong Won; Lee, Chul Soo

2018-03-01

For the design and operation of CO2 capture and storage (CCS) processes, equation of state (EoS) models are used for phase equilibrium calculations. Reliability of an EoS model plays a crucial role, and many variations of EoS models have been reported and continue to be published. The prediction of phase equilibria for CO2 mixtures containing SO2, N2, NO, H2, O2, CH4, H2S, Ar, and H2O is important for CO2 transportation because the captured gas normally contains small amounts of impurities even though it is purified in advance. For the design of pipelines in deep sea or arctic conditions, flow assurance and safety are considered priority issues, and highly reliable calculations are required. In this work, predictive Soave-Redlich-Kwong, cubic plus association, Groupe Européen de Recherches Gazières (GERG-2008), perturbed-chain statistical associating fluid theory, and non-random lattice fluids hydrogen bond EoS models were compared regarding performance in calculating phase equilibria of CO2-impurity binary mixtures and with the collected literature data. No single EoS could cover the entire range of systems considered in this study. Weaknesses and strong points of each EoS model were analyzed, and recommendations are given as guidelines for safe design and operation of CCS processes.

Excess enthalpies and (vapour + liquid) equilibrium data for the binary mixtures of dimethylsulphoxide with ketones

International Nuclear Information System (INIS)

Radhamma, M.; Venkatesu, P.; Rao, M.V. Prabhakara; Prasad, D.H.L.

2007-01-01

Excess enthalpies (H E ), at ambient pressure and T = 298.15 K, have been measured by using a solution calorimeter for the binary liquid mixtures of dimethyl sulphoxide (DMSO) with ketones, as a function of composition. The ketones chosen in the present investigation were methyl ethyl ketone (MEK), methyl isobutyl ketone (MIBK), and cyclohexanone (CH). The H E values are positive over the entire composition range for the three binary mixtures. Furthermore, the (vapour + liquid) equilibrium (VLE) was measured at 715 Torr for these mixtures, of different compositions, with the help of Swietoslawski-ebulliometer. The experimental temperature-mole fraction (t-x) data were used to compute Wilson parameters and then used to calculate the equilibrium vapour-phase compositions as well as the theoretical points for these binary mixtures. These Wilson parameters are used to calculate activity coefficients (γ) and these in turn to calculate excess Gibbs free energy (G E ). The intermolecular interactions and structural effects were analyzed on the basis of the measured and derived properties

Diode Laser-Based Sensor for Fast Measurement of Binary Gas Mixtures

National Research Council Canada - National Science Library

McNesby, Kevin

1999-01-01

The development and characterization of a gas sensor to measure binary mixtures of oxygen and the vapor from a series of volatile organic compounds, with a time resolution of 10 milliseconds, is described...

Thermophysical properties of binary mixtures of N,N-dimethylformamide with three cyclic ethers

Directory of Open Access Journals (Sweden)

Sinha Biswajit

2013-01-01

Full Text Available Densities and viscosities of the binary mixtures consisting of tetrahydrofuran (THF, 1,3-dioxolane (1,3-DO and 1,4-dioxane (1,4-DO with N,N-dimethylformamide (DMF over the entire range of composition were measured at temperatures 298.15, 308.15 and 318.15 K and at atmospheric pressure. Ultrasonic speeds of sound of these binary mixtures were measured at ambient temperature and atmospheric pressure (T = 298.15 K and P = 1.01×105 Pa. The various experimental data were utilized to derive excess molar volumes (VmE, excess viscosities (ηE, and excess isentropic compressibilities (κsE. Using the excess molar volumes (VmE, excess partial molar volumes (and and excess partial molar volumes at infinite dilution (and of each liquid component in the mixtures were derived and discussed. Excess molar volumes (VmE as a function of composition at ambient temperature and atmospheric pressure were used further to test the applicability of the Prigogine-Flory-Patterson (PFP theory to the experimental binaries. The excess properties were found to be either negative or positive depending on the nature of molecular interactions and structural effects of liquid mixtures. Em,1V Em,2VE0,m,1VE0,m,2V.

Pycnonuclear reaction rates for binary ionic mixtures

Science.gov (United States)

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.

Investigation of the powder flow behaviour of binary mixtures of microcrystalline celluloses and paracetamol

Directory of Open Access Journals (Sweden)

Ira Soppela

2010-03-01

Full Text Available The flow behaviour of binary mixtures of paracetamol and different grades of microcrystalline celluloses (Avicel® PH101, PH102 and PH200 was studied using a new testing method. The effect of physical characteristics of the powder including tribocharging and the addition of lubricant on the flow properties of the different mixtures was investigated. As expected, the flowability of the samples was affected both by the amount of paracetamol and the physical properties of microcrystalline celluloses (MCC and the mixtures. The effect of lubricant varied depending on the MCC grade: magnesium stearate was able to improve the flowability of the mixtures containing PH102 and PH200 while it did not affect the flowability of PH101. Multivariate analysis showed that the flow of the binary excipient-drug mixtures through an orifice is affected by several phenomena, such as charging, surface moisture, carrier payload and particle size.

Forage production of grass-legume binary mixtures on Intermountain Western USA irrigated pastures

Science.gov (United States)

A well-managed irrigated pasture is optimized for forage production with the use of N fertilizer which incurs extra expense. The objective was to determine which binary grass-legume mixture and mixture planting ratio of tall fescue (Festuca arundinacea Schreb.) (TF), meadow brome (Bromus bieberstei...

Determination and correlation of pyridoxine hydrochloride solubility in different binary mixtures at temperatures from (278.15 to 313.15) K

International Nuclear Information System (INIS)

Han, Dandan; Li, Xiaona; Wang, Haisheng; Wang, Yan; Du, Shichao; Yu, Bo; Liu, Yumin; Xu, Shijie; Gong, Junbo

2016-01-01

Highlights: • Solubility of pyridoxine hydrochloride in three binary mixtures was determined. • Experimental solubility of pyridoxine hydrochloride was correlated by four models. • Mixing thermodynamics of pyridoxine hydrochloride were calculated and discussed. - Abstract: The solubility of pyridoxine hydrochloride in binary solvent mixtures, including (acetone + water), (methanol + water) and (ethanol + water), was measured over temperature range from (278.15 to 313.15) K by a gravimetric method at atmospheric pressure (P = 0.1 MPa). The solubility increased with increasing temperature in binary solvent mixtures at constant solvent composition. Besides, the dissolving capacity of pyridoxine hydrochloride in the three binary solvent mixtures at constant temperature ranked as (methanol + water > ethanol + water > acetone + water) in general, partly depending on the polarity of the solvents. Additionally, the modified Apelblat equation, van’t Hoff equation, CNIBS/R–K model and Jouyban–Acree model were used to correlate the solubility data in binary mixtures, it turned out that all the selected thermodynamic models could give satisfactory results. Furthermore, the mixing thermodynamic properties of pyridoxine hydrochloride in different binary solvent mixtures were also calculated and discussed. The results indicate that the mixing process of pyridoxine hydrochloride in the selected solvents is exothermic.

Excess molar volumes and viscosities of binary mixtures of 1,2

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 113; Issue 3. Excess molar volumes and viscosities of binary mixtures of 1,2-diethoxyethane with chloroalkanes ... The Bloomfield and Dewan model has been used to calculate viscosity ...

Exact results in a lattice model of a binary reactant mixture

International Nuclear Information System (INIS)

Thomas, P.B.

1995-01-01

We study phase separation in a binary mixture of two particles, which can react with each other and form a third compound. We determine the exact phase boundaries for a restricted range of the interaction parameters

Pattern selection near the onset of convection in binary mixtures in cylindrical cells

International Nuclear Information System (INIS)

Alonso, Arantxa; Mercader, Isabel; Batiste, Oriol

2014-01-01

We report numerical investigations of three-dimensional pattern formation of binary mixtures in a vertical cylindrical container heated from below. Negative separation ratio mixtures, for which the onset of convection occurs via a subcritical Hopf bifurcation, are considered. We focus on the dynamics in the neighbourhood of the initial oscillatory instability and analyze the spatio-temporal properties of the patterns for different values of the aspect ratio of the cell, 0.25≲Γ≲11 (Γ≡R/d, where R is the radius of the cell and d its height). Despite the oscillatory nature of the primary instability, for highly constrained geometries, Γ≲2.5, only pure thermal stationary modes are selected after long transients. As the aspect ratio of the cell increases, for intermediate aspect ratio cells such as Γ=3, multistability and coexistence of stationary and time-dependent patterns is observed. In highly extended cylinders, Γ≈11, the dynamics near the onset is completely different from the pure fluid case, and a startling diversity of confined patterns is observed. Many of these patterns are consistent with experimental observations. Remarkably, though, we have obtained persistent large amplitude highly localized states not reported previously. (paper)

Pattern selection near the onset of convection in binary mixtures in cylindrical cells

Energy Technology Data Exchange (ETDEWEB)

Alonso, Arantxa; Mercader, Isabel; Batiste, Oriol, E-mail: arantxa@fa.upc.edu [Departament de Física Aplicada, Universitat Politècnica de Catalunya, Mòdul B4, 08034 Barcelona (Spain)

2014-08-01

We report numerical investigations of three-dimensional pattern formation of binary mixtures in a vertical cylindrical container heated from below. Negative separation ratio mixtures, for which the onset of convection occurs via a subcritical Hopf bifurcation, are considered. We focus on the dynamics in the neighbourhood of the initial oscillatory instability and analyze the spatio-temporal properties of the patterns for different values of the aspect ratio of the cell, 0.25≲Γ≲11 (Γ≡R/d, where R is the radius of the cell and d its height). Despite the oscillatory nature of the primary instability, for highly constrained geometries, Γ≲2.5, only pure thermal stationary modes are selected after long transients. As the aspect ratio of the cell increases, for intermediate aspect ratio cells such as Γ=3, multistability and coexistence of stationary and time-dependent patterns is observed. In highly extended cylinders, Γ≈11, the dynamics near the onset is completely different from the pure fluid case, and a startling diversity of confined patterns is observed. Many of these patterns are consistent with experimental observations. Remarkably, though, we have obtained persistent large amplitude highly localized states not reported previously. (paper)

Enzymatic synthesis of 6-O-glucosyl-poly(3-hydroxyalkanoate) in organic solvents and their binary mixture.

Science.gov (United States)

Gumel, A M; Annuar, M S M; Heidelberg, T

2013-04-01

The effects of organic solvents and their binary mixture in the glucose functionalization of bacterial poly-3-hydroxyalkanoates catalyzed by Lecitase™ Ultra were studied. Equal volume binary mixture of DMSO and chloroform with moderate polarity was more effective for the enzyme catalyzed synthesis of the carbohydrate polymer at ≈38.2 (±0.8)% reactant conversion as compared to the mono-phasic and other binary solvents studied. The apparent reaction rate constant as a function of medium water activity (aw) was observed to increase with increasing solvent polarity, with optimum aw of 0.2, 0.4 and 0.7 (±0.1) observed in hydrophilic DMSO, binary mixture DMSO:isooctane and hydrophobic isooctane, respectively. Molecular sieve loading between 13 to 15gL(-1) (±0.2) and reaction temperature between 40 to 50°C were found optimal. Functionalized PHA polymer showed potential characteristics and biodegradability. Copyright © 2012 Elsevier B.V. All rights reserved.

Critical exponents of a fluid mixture in the presence of isotope exchange: Isobutyric acid/D2O

International Nuclear Information System (INIS)

Gulari, E.; Chu, B.; Woermann, D.

1980-01-01

Experiments on phase diagrams and critical opalescence of a fluid mixture, isobutyric acid in D 2 O, indicate that the presence of isotope exchange reactions can change the critical behavior of such a system from that of a simple binary fluid mixture. Appreciable amounts of additional species due to isotope exchange distort the coexistence curve, shift the critical solution concentration y/sub c/ away from the concentration (y/sub I/*) where the maximal phase separation temperature T/sub p/,max occurs, and make the critical exponents γ and ν in the one-phase region (T>T/sub c/) different from those of the coexisting two-phase region (T 0 C differing from y/sub I/*=0.310 at T/sub p/,max=45.11 0 C. In the one-phase region, γ=1.25, ν=0.633, and xi 0 =3.13 A, in excellent agreement with γ=1.24 and ν=0.633 of simple fluid systems. However, in the coexisting two-phase region, the critical exponents appear to be renormalized with γ/sub x/ =1.39, ν/sub x/approx. =0.76, and xi 0 approx. =0.6 A. These results are in agreement with the renormalized critical exponents γ/sub x/=1.40 +- 0.02 and ν/sub x/ =0.73 +- 0.04 near the plait point of a ternary liquid mixture: ethanol--water--chloroform

Study of structural and transport properties of argon, krypton, and their binary mixtures at different temperatures.

Science.gov (United States)

Ghimire, Sunil; Adhikari, Narayan Prasad

2017-03-01

Molecular dynamics simulation of argon, krypton, and their binary mixtures were performed at different temperatures and constant pressure (P = 1.013 bar) using GROMACS - Groningen Machine for Chemical Simulations. The gases are modeled by Lennard-Jones pair potential, with parameters taken from the literature. The study of radial distribution functions (RDFs) shows a single peak which indicates that there is no packing effect in gaseous state for argon, krypton, and their binary mixtures. The self-diffusion coefficients of argon and krypton is determined by using mean-square displacement(MSD) method and the mutual diffusion coefficients of binary mixtures are determined using Darken's relation. The values of simulated diffusion coefficients are compared with their corresponding theoretical values, numerical estimation, and experimental data. A good agreement between these sets of data is found. The diffusion coefficients obey Arrhenius behavior to a good extent for both pure components and binary mixtures. The values of simulated diffusion coefficient are used to estimate viscosities and thermal conductivities which agree with theoretical values, numerical estimation, and experimental data within 10 %. These results support that the LJ potential is sufficient for description of molecular interactions in argon and krypton.

Densities and viscosities of binary and ternary mixtures of cyclohexanone, 1,4-dioxane and isooctane from T = (288.15 to 313.15) K

International Nuclear Information System (INIS)

Rafiee, Hamid Reza; Ranjbar, Shahram; Poursalman, Fariborz

2012-01-01

Graphical abstract: For binary and ternary mixtures of the following liquids the densities and viscosities have been determined at several temperatures and over the entire range of composition. Also the Δη and excess molar volumes for binary mixtures determined and have been fitted to the Redlich–Kister equation. The interaction parameters, G 12 in the Grunberg–Nissan equation have been found to be negative for all binary mixtures which indicates decreasing the interaction between unlike molecules. Highlights: ► Experimental data for viscosity and density of binary and ternary mixtures reported. ► The considered solvents are Cyclohexanone, 1,4-Dioxane and Isooctane. ► Temperature ranges from 288.15 to 313.15 K and entire range of composition is considered. ► G 12 , in Grunberg–Nissan equation was negative in all binary mixtures at all temperatures. ► V E and Δη for binary mixtures have been fitted to Redlich–Kister equation. - Abstract: Densities and viscosities of binary and ternary mixtures of cyclohexanone, 1,4-dioxane and isooctane have been measured at temperatures from 288.15 K to 313.15 K and over the entire composition range, under atmospheric pressure. From these binary data, the excess molar volumes have been determined and then fitted to Redlich–Kister equation to determine the appropriate coefficients. This work also provides a test of the Grunberg and Nissan equation for correlation the dynamic viscosities of binary mixtures with mole fractions. The interaction parameters for this equation, G 12 were negative for all binary mixtures at different temperatures over entire range of composition which attributed to decreasing the strength of interaction between unlike molecules in mixture.

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

Science.gov (United States)

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

2012-03-08

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.

Transport benchmarks for one-dimensional binary Markovian mixtures revisited

International Nuclear Information System (INIS)

Malvagi, F.

2013-01-01

The classic benchmarks for transport through a binary Markovian mixture are revisited to look at the probability distribution function of the chosen 'results': reflection, transmission and scalar flux. We argue that the knowledge of the ensemble averaged results is not sufficient for reliable predictions: a measure of the dispersion must also be obtained. An algorithm to estimate this dispersion is tested. (author)

Microscopic Theory of Coupled Slow Activated Dynamics in Glass-Forming Binary Mixtures.

Science.gov (United States)

Zhang, Rui; Schweizer, Kenneth S

2018-04-05

The Elastically Collective Nonlinear Langevin Equation theory for one-component viscous liquids and suspensions is generalized to treat coupled slow activated relaxation and diffusion in glass-forming binary sphere mixtures of any composition, size ratio, and interparticle interactions. A trajectory-level dynamical coupling parameter concept is introduced to construct two coupled dynamic free energy functions for the smaller penetrant and larger matrix particle. A two-step dynamical picture is proposed where the first-step process involves matrix-facilitated penetrant hopping quantified in a self-consistent manner based on a temporal coincidence condition. After penetrants dynamically equilibrate, the effectively one-component matrix particle dynamics is controlled by a new dynamic free energy (second-step process). Depending on the time scales associated with the first- and second-step processes, as well as the extent of matrix-correlated facilitation, distinct physical scenarios are predicted. The theory is implemented for purely hard-core interactions, and addresses the glass transition based on variable kinetic criteria, penetrant-matrix coupled activated relaxation, self-diffusion of both species, dynamic fragility, and shear elasticity. Testable predictions are made. Motivated by the analytic ultralocal limit idea derived for pure hard sphere fluids, we identify structure-thermodynamics-dynamics relationships. As a case study for molecule-polymer thermal mixtures, the chemically matched fully miscible polystyrene-toluene system is quantitatively studied based on a predictive mapping scheme. The resulting no-adjustable-parameter results for toluene diffusivity and the mixture glass transition temperature are in good agreement with experiment. The theory provides a foundation to treat diverse dynamical problems in glass-forming mixtures, including suspensions of colloids and nanoparticles, polymer-molecule liquids, and polymer nanocomposites.

Volumetric and viscometric properties of binary and ternary mixtures of 1-butyl-3-methylimidazolium tetrafluoroborate, monoethanolamine and water

International Nuclear Information System (INIS)

Yin, Yaran; Zhu, Chunying; Ma, Youguang

2016-01-01

Highlights: • Densities and viscosities of [Bmim][BF 4 ] + MEA + H 2 O solutions were measured. • Volumetric and viscometric properties were deduced from experimental results. • Intermolecular interactions were analysed by volumetric and viscometric properties. - Abstract: Densities and viscosities of binary {[Bmim][BF 4 ] + H 2 O}, {[Bmim][BF 4 ] + MEA}, (MEA + H 2 O) and ternary mixtures {[Bmim][BF 4 ] + MEA + H 2 O} were measured at T = (293.15–333.15) K. The volumetric and viscometric properties, such as excess molar volume V E , viscosity deviation Δη, and excess Gibbs energy of activation of viscous flow ΔG ∗E for all mixtures, and apparent molar volume, excess partial molar volume and Grunberg-Nissan interaction parameter G 12 for binary mixtures, were deduced from experimental results, and the intermolecular interactions in solutions were also analysed. The excess molar volumes were correlated using the Redlich-Kister polynomial equation for binary mixtures, and Singh et al. equation for the ternary mixture with corresponding binary parameters. The viscosities of binary and ternary solutions were respectively fitted by Jouyban-Acree equation and its extended equation at each measurement temperature, the correlated values are in good agreement with the corresponding experimental data.

Phase behaviors of binary mixtures composed of electron-rich and electron-poor triphenylene discotic liquid crystals

International Nuclear Information System (INIS)

An Lingling; Jing Min; Xiao Bo; Bai Xiao-Yan; Zhao Ke-Qing; Zeng Qing-Dao

2016-01-01

Disk-like liquid crystals (DLCs) can self-assemble to ordered columnar mesophases and are intriguing one-dimensional organic semiconductors with high charge carrier mobility. To improve their applicable property of mesomorphic temperature ranges, we exploit the binary mixtures of electronic donor-acceptor DLC materials. The electron-rich 2,3,6,7,10,11-hexakis(alkoxy)triphenylenes (C4, C6, C8, C10, C12) and an electron-deficient tetrapentyl triphenylene-2,3,6,10-tetracarboxylate have been prepared and their binary mixtures have been investigated. The mesomorphism of the 1:1 (molar ratio) mixtures has been characterized by polarizing optical microscopy (POM), differential scanning calorimetry (DSC), and small angel x-ray scattering (SAXS). The self-assembled monolayer structure of a discogen on a solid-liquid interface has been imaged by the high resolution scanning tunneling microscopy (STM). The match of peripheral chain length has important influence on the mesomorphism of the binary mixtures. (special topic)

Simultaneous spectrophotometric determination of binary mixtures of surfactants using continuous wavelet transformation

International Nuclear Information System (INIS)

Afkhami, Abbas; Nematollahi, Davood; Madrakian, Tayyebeh; Abbasi-Tarighat, Maryam; Hajihadi, Mitra

2009-01-01

This work presents a simple, rapid, and novel method for simultaneous determination of binary mixtures of some surfactants using continuous wavelet transformation. The method is based on the difference in the effect of surfactants Cetyltrimethylammoniumbromide (CTAB), dodecyl trimethylammonium bromide (DTAB), cetylpyridinium bromide (CPB) and TritonX-100 (TX-100) on the absorption spectra of complex of Beryllium with Chrome Azurol S (CAS) at pH 5.4. Binary mixtures of CTAB-DTAB, DTAB-CPB and CTAB-TX-100 were analyzed without prior separation steps. Different mother wavelets from the family of continuous wavelet transforms were selected and applied under the optimal conditions for simultaneous determinations. The proposed methods, under the working conditions, were successfully applied to simultaneous determination of surfactants in hair conditioner and mouthwash samples.

Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C1-C4) and dimethyl carbonate

International Nuclear Information System (INIS)

Matsuda, Hiroyuki; Fukano, Makoto; Kikkawa, Shinichiro; Constantinescu, Dana; Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji; Gmehling, Juergen

2012-01-01

Highlights: → The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. → VLE data for ternary and binary mixtures containing alcohol and DMC were measured. → Several activity coefficient models were used for data reduction or prediction. → Valley line, i.e., distillation boundary, was observed for the ternary mixture. → Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {methanol + propan-1-ol + dimethyl carbonate (DMC)}, and four binary mixtures, namely an {alcohol (C 3 or C 4 ) + DMC}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

A quantitative analysis on latent heat of an aqueous binary mixture.

Science.gov (United States)

Han, Bumsoo; Choi, Jeung Hwan; Dantzig, Jonathan A; Bischof, John C

2006-02-01

The latent heat during phase change of water-NaCl binary mixture was measured using a differential scanning calorimeter, and the magnitude for two distinct phase change events, water/ice and eutectic phase change, were analyzed considering the phase change characteristics of a binary mixture. During the analysis, the latent heat associated with each event was calculated by normalizing the amount of each endothermic peak with only the amount of sample participating in each event estimated from the lever rule for the phase diagram. The resulting latent heat of each phase change measured is 303.7 +/- 2.5 J/g for water/ice phase change, and 233.0 +/- 1.6 J/g for eutectic phase change, respectively regardless of the initial concentration of mixture. Although the latent heats of water/ice phase change in water-NaCl mixtures are closely correlated, further study is warranted to investigate the reason for smaller latent heat of water/ice phase change than that in pure water (335 J/g). The analysis using the lever rule was extended to estimate the latent heat of dihydrate as 115 J/g with the measured eutectic and water/ice latent heat values. This new analysis based on the lever rule will be useful to estimate the latent heat of water-NaCl mixtures at various concentrations, and may become a framework for more general analysis of latent heat of various biological solutions.

Measurement and correlation of solubility of cefmenoxime hydrochloride in pure solvents and binary solvent mixtures

International Nuclear Information System (INIS)

Wang, Jinxiu; Xie, Chuang; Yin, Qiuxiang; Tao, Linggang; Lv, Jun; Wang, Yongli; He, Fang; Hao, Hongxun

2016-01-01

Highlights: • Solubility of cefmenoxime hydrochloride in pure and binary solvents was determined. • The experimental solubility data were correlated by thermodynamic models. • A model was employed to calculate the melting temperature of cefmenoxime hydrochloride. • Mixing thermodynamic properties of cefmenoxime hydrochloride were calculated. - Abstract: The solubility of cefmenoxime hydrochloride in pure solvents and binary solvent mixtures was measured at temperatures from (283.15 to 313.15) K by using the UV spectroscopic method. The results reveal that the solubility of cefmenoxime hydrochloride increases with increasing temperature in all solvent selected. The solubility of cefmenoxime hydrochloride reaches its maximum value when the mole fraction of isopropanol is 0.2 in the binary solvent mixtures of (isopropanol + water). The modified Apelblat equation and the NRTL model were successfully used to correlate the experimental solubility in pure solvents while the modified Apelblat equation, the CNIBS/R–K model and the Jouyban–Acree model were applied to correlate the solubility in binary solvent mixtures. In addition, the mixing thermodynamic properties of cefmenoxime hydrochloride in different solvents were also calculated based on the NRTL model and experimental solubility data.

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

International Nuclear Information System (INIS)

Stiegler, Thomas; Sadus, Richard J.

2015-01-01

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

Homogeneous Free Cooling State in Binary Granular Fluids of Inelastic Rough Hard Spheres

Science.gov (United States)

Santos, Andrés

2011-05-01

In a recent paper [A. Santos, G. M. Kremer, and V. Garzó, Prog. Theor. Phys. Suppl. 184, 31-48 (2010)] the collisional energy production rates associated with the translational and rotational granular temperatures in a granular fluid mixture of inelastic rough hard spheres have been derived. In the present paper the energy production rates are explicitly decomposed into equipartition rates (tending to make all the temperatures equal) plus genuine cooling rates (reflecting the collisional dissipation of energy). Next the homogeneous free cooling state of a binary mixture is analyzed, with special emphasis on the quasi-smooth limit. A previously reported singular behavior (according to which a vanishingly small amount of roughness has a finite effect, with respect to the perfectly smooth case, on the asymptotic long-time translational/translational temperature ratio) is further elaborated. Moreover, the study of the time evolution of the temperature ratios shows that this dramatic influence of roughness already appears in the transient regime for times comparable to the relaxation time of perfectly smooth spheres.

Volumetric and transport properties of binary liquid mixtures of sulfolane with aniline, N,N-dimethylaniline and N,N-diethylaniline at different temperatures and atmospheric pressure

International Nuclear Information System (INIS)

Aftabuzzaman, M.; Islam, M. Monirul; Nasiruddin; Rima, Farhana Rahman; Islam, M. Nazrul; Ali, M. Azhar

2016-01-01

Highlights: • ρ and η of sulfolane + aniline, +N,N-DMA, +N,N-DEA binary mixtures were measured. • V"E values for sulfolane + aniline, +N,N-DMA, +N,N-DEA binary mixtures are negative. • Δη &d_1_2 are positive for sulfolane + aniline, and negative for +N,N-DMA, +N,N-DEA. • The chemical or strong specific interactions exist in sulfolane + aniline mixtures. • The structural effects are dominated in sulfolane +N,N-DMA, +N,N-DEA mixtures.​ - Abstract: Densities and viscosities of pure sulfolane, aniline, N,N-dimethylaniline, N,N-diethylaniline and their binary mixtures with sulfolane as common component were measured over the entire composition range at T = (303.15, 308.15, and 313.15) K and atmospheric pressure. A high precision vibrating-tube densitometer (DSA 5000, Anton-Paar, Austria) was used for the density measurements and a Cannon–Fenske routine type viscometer for the viscosity. The various thermodynamic properties such as excess molar volumes, deviation of viscosity, free energy and excess free energy of activation for viscous flow were calculated for each of the systems. The excess properties were fitted to the Redlich–Kister equation, and coefficients along with standard deviation of fit were also presented. All these properties were discussed in terms of molecular interactions. The experimental findings would be tremendous important for the accurate design of equipment, and controlling the process parameters of various chemical and industrial processes such as separation of chemicals, fluid flow, heat flow or chemical reactions.

Properties of noble gases and binary mixtures for closed Brayton Cycle applications

International Nuclear Information System (INIS)

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

2008-01-01

A review is conducted of the properties of the noble gases, helium, neon, argon, krypton and xenon, and their binary mixtures at pressures from 0.1 to 20 MPa and temperatures up to 1400 K. An extensive database of experimental measurements is compiled and used to develop semi-empirical properties correlations. The correlations accurately account for the effects of pressure and temperature on the thermodynamic and transport properties of these gases for potential uses in space (∼2 MPa and up to 1400 K) and terrestrial (∼7.0 MPa and up to 1200 K) applications of Closed Brayton Cycle (CBC). The developed correlations are based on the Chapman-Enskog kinetic theory for dilute gases, and on the application of the law of corresponding states to account for the dependence of properties on pressure. The correlations use the critical temperature and density of the gases as scaling parameters, and their predictions are compared with the compiled database. At temperatures ≥400 K and pressures ≤2 MPa in CBC space power systems, He and Ne, and the binary mixtures of He-Xe and He-Kr with molecular weights ≤40 g/mole behave essentially like a perfect gas, and the error of neglecting the effect of pressure on their compressibility factor, specific heats and transport properties is ≤1%. At a typical operating pressure of 7.0 MPa and up to 1200 K in terrestrial CBC power plants, neglecting the effect of pressure can result in ∼4% error in the properties of noble gases and the binary mixtures of He-Xe and He-Kr with molecular weights ≤40 g/mole, and as much as 20% error for pure argon. Therefore, when operating at pressures >2.0 MPa and/or using noble gases or binary mixtures with molecular weights > 40 g/mole, the present correlations should be used to accurately predict the thermodynamic and transport properties

Diffusive flux of energy in binary mixtures

International Nuclear Information System (INIS)

Sampaio, R.S.

1976-04-01

The diffusive flux of energy j tilde is studied through the reduced diffusive flux of energy K tilde, which obeys equations of the form: sim(delta K tilde/delta grad rho sub(α))= sim(delta K tilde/delta grad theta)=0. By a representation theorem, herein proved, is obtained a general representation for K tilde which is simplified, for the case of binary mixtures, using the principle of objectivity. Some consequences of this representation are discussed such as the symmetry of the partial stresses T 1 tilde and T 2 tilde and the difference between the normal stresses [pt

Toxic effect of metal cation binary mixtures to the seaweed Gracilaria domingensis (Gracilariales, Rhodophyta).

Science.gov (United States)

Mendes, Luiz Fernando; Stevani, Cassius Vinicius; Zambotti-Villela, Leonardo; Yokoya, Nair Sumie; Colepicolo, Pio

2014-01-01

The macroalga Gracilaria domingensis is an important resource for the food, pharmaceutical, cosmetic, and biotechnology industries. G. domingensis is at a part of the food web foundation, providing nutrients and microelements to upper levels. As seaweed storage metals in the vacuoles, they are considered the main vectors to magnify these toxic elements. This work describes the evaluation of the toxicity of binary mixtures of available metal cations based on the growth rates of G. domingensis over a 48-h exposure. The interactive effects of each binary mixture were determined using a toxic unit (TU) concept that was the sum of the relative contribution of each toxicant and calculated using the ratio between the toxicant concentration and its endpoint. Mixtures of Cd(II)/Cu(II) and Zn(II)/Ca(II) demonstrated to be additive; Cu(II)/Zn(II), Cu(II)/Mg(II), Cu(II)/Ca(II), Zn(II)/Mg(II), and Ca(II)/Mg(II) mixtures were synergistic, and all interactions studied with Cd(II) were antagonistic. Hypotheses that explain the toxicity of binary mixtures at the molecular level are also suggested. These results represent the first effort to characterize the combined effect of available metal cations, based on the TU concept on seaweed in a total controlled medium. The results presented here are invaluable to the understanding of seaweed metal cation toxicity in the marine environment, the mechanism of toxicity action and how the tolerance of the organism.

Thermo-acoustical molecular interaction study in binary mixtures of glycerol and ethylene glycol

Science.gov (United States)

Kaur, Kirandeep; Juglan, K. C.; Kumar, Harsh

2017-07-01

Ultrasonic velocity, density and viscosity are measured over the entire composition range for binary liquid mixtures of glycerol (CH2OH-CHOH-CH2OH) and ethylene glycol (HOCH2CH2OH) at different temperatures and constant frequency of 2MHz using ultrasonic interferometer, specific gravity bottle and viscometer respectively. Measured experimental values are used to obtained various acoustical parameters such as adiabatic compressibility, acoustic impedance, intermolecular free length, relaxation time, ultrasonic attenuation, effective molar weight, free volume, available volume, molar volume, Wada's constant, Rao's constant, Vander Waal's constant, internal pressure, Gibb's free energy and enthalpy. The variation in acoustical parameters are interpreted in terms of molecular interactions between the components of molecules of binary liquid mixtures.

Measurement and modelling of hydrogen bonding in 1-alkanol plus n-alkane binary mixtures

DEFF Research Database (Denmark)

von Solms, Nicolas; Jensen, Lars; Kofod, Jonas L.

2007-01-01

Two equations of state (simplified PC-SAFT and CPA) are used to predict the monomer fraction of 1-alkanols in binary mixtures with n-alkanes. It is found that the choice of parameters and association schemes significantly affects the ability of a model to predict hydrogen bonding in mixtures, eve...... studies, which is clarified in the present work. New hydrogen bonding data based on infrared spectroscopy are reported for seven binary mixtures of alcohols and alkanes. (C) 2007 Elsevier B.V. All rights reserved....... though pure-component liquid densities and vapour pressures are predicted equally accurately for the associating compound. As was the case in the study of pure components, there exists some confusion in the literature about the correct interpretation and comparison of experimental data and theoretical...

Dynamics of glycerine and water transport across human skin from binary mixtures.

Science.gov (United States)

Ventura, S A; Kasting, G B

2017-04-01

Skin transport properties of glycerine and water from binary mixtures contacting human skin were determined to better understand the mechanism of skin moisturization by aqueous glycerine formulations. Steady-state permeation for 3 H 2 O and 14 C-glycerine across split-thickness human skin in vitro and desorption dynamics of the same permeants in isolated human stratum corneum (HSC) were experimentally determined under near equilibrium conditions. These data were compared to a priori values developed in the context of a thermodynamic model for binary mixtures of glycerine and water and a previously determined water sorption isotherm for HSC. This allowed the estimation of diffusion and partition coefficients for each permeant in the HSC, as well as HSC thickness, as a function of composition of the contacting solution. These data may be used to estimate water retention and associated HSC swelling related to the absorption and slow release of glycerine from the skin. It took 6+ days for glycerine to completely desorb from HSC immersed in glycerine/water binary solutions. Desorption of both 3 H 2 O and 14 C-glycerine from HSC was slower in pure water than from binary mixtures, a result that is largely explained by the greater swelling of HSC in water. Parametric relationships were developed for water and glycerine intradiffusivities in HSC as functions of HSC water content, and a mutual diffusion coefficient was estimated by analogy with glycerine/water binary solutions. The intradiffusivity of 14 C-glycerine in HSC as inferred from sorption/desorption experiments was shown to be approximately 10-fold less than that inferred from permeation experiments, whereas the corresponding values for 3 H 2 O were comparable. These studies confirm that glycerine enters HSC in substantial quantities and has a long residence time therein. The coupling between bulk water and glycerine transport projected from binary solution data suggests the net effect of glycerine is to slow water

Double diffusive unsteady convective micropolar flow past a vertical porous plate moving through binary mixture using modified Boussinesq approximation

Directory of Open Access Journals (Sweden)

Isaac Lare Animasaun

2016-06-01

Full Text Available The problem of unsteady convective with thermophoresis, chemical reaction and radiative heat transfer in a micropolar fluid flow past a vertical porous surface moving through binary mixture considering temperature dependent dynamic viscosity and constant vortex viscosity has been investigated theoretically. For proper and correct analysis of fluid flow along vertical surface with a temperature lesser than that of the free stream, Boussinesq approximation and temperature dependent viscosity model were modified and incorporated into the governing equations. The governing equations are converted to systems of ordinary differential equations by applying suitable similarity transformations and solved numerically using fourth-order Runge–Kutta method along with shooting technique. The results of the numerical solution are presented graphically and in tabular forms for different values of parameters. Velocity profile increases with temperature dependent variable fluid viscosity parameter. Increase of suction parameter corresponds to an increase in both temperature and concentration within the thin boundary layer.

Composition inversion in mixtures of binary colloids and polymer

Science.gov (United States)

Zhang, Isla; Pinchaipat, Rattachai; Wilding, Nigel B.; Faers, Malcolm A.; Bartlett, Paul; Evans, Robert; Royall, C. Patrick

2018-05-01

Understanding the phase behaviour of mixtures continues to pose challenges, even for systems that might be considered "simple." Here, we consider a very simple mixture of two colloidal and one non-adsorbing polymer species, which can be simplified even further to a size-asymmetrical binary mixture, in which the effective colloid-colloid interactions depend on the polymer concentration. We show that this basic system exhibits surprisingly rich phase behaviour. In particular, we enquire whether such a system features only a liquid-vapor phase separation (as in one-component colloid-polymer mixtures) or whether, additionally, liquid-liquid demixing of two colloidal phases can occur. Particle-resolved experiments show demixing-like behaviour, but when combined with bespoke Monte Carlo simulations, this proves illusory, and we reveal that only a single liquid-vapor transition occurs. Progressive migration of the small particles to the liquid phase as the polymer concentration increases gives rise to composition inversion—a maximum in the large particle concentration in the liquid phase. Close to criticality, the density fluctuations are found to be dominated by the larger colloids.

Fluids in porous media. IV. Quench effect on chemical potential.

Science.gov (United States)

Qiao, C Z; Zhao, S L; Liu, H L; Dong, W

2017-06-21

It appears to be a common sense to measure the crowdedness of a fluid system by the densities of the species constituting it. In the present work, we show that this ceases to be valid for confined fluids under some conditions. A quite thorough investigation is made for a hard sphere (HS) fluid adsorbed in a hard sphere matrix (a quench-annealed system) and its corresponding equilibrium binary mixture. When fluid particles are larger than matrix particles, the quench-annealed system can appear much more crowded than its corresponding equilibrium binary mixture, i.e., having a much higher fluid chemical potential, even when the density of each species is strictly the same in both systems, respectively. We believe that the insight gained from this study should be useful for the design of functionalized porous materials.

Application of the cubic-plus-association (CPA) equation of state to model the fluid phase behaviour of binary mixtures of water and tetrahydrofuran

DEFF Research Database (Denmark)

Herslund, Peter Jørgensen; Thomsen, Kaj; Abildskov, Jens

2013-01-01

The complex fluid phase behaviour, of the binary system comprised of water and tetrahydrofuran (THF) is modelled by use of the cubic-plus-association (CPA) equation of state. A total of seven modelling approaches are analysed, differing only in their way of describing THF and its interactions...

Choice of optimal working fluid for binary power plants at extremely low temperature brine

Science.gov (United States)

Tomarov, G. V.; Shipkov, A. A.; Sorokina, E. V.

2016-12-01

The geothermal energy development problems based on using binary power plants utilizing lowpotential geothermal resources are considered. It is shown that one of the possible ways of increasing the efficiency of heat utilization of geothermal brine in a wide temperature range is the use of multistage power systems with series-connected binary power plants based on incremental primary energy conversion. Some practically significant results of design-analytical investigations of physicochemical properties of various organic substances and their influence on the main parameters of the flowsheet and the technical and operational characteristics of heat-mechanical and heat-exchange equipment for binary power plant operating on extremely-low temperature geothermal brine (70°C) are presented. The calculation results of geothermal brine specific flow rate, capacity (net), and other operation characteristics of binary power plants with the capacity of 2.5 MW at using various organic substances are a practical interest. It is shown that the working fluid selection significantly influences on the parameters of the flowsheet and the operational characteristics of the binary power plant, and the problem of selection of working fluid is in the search for compromise based on the priorities in the field of efficiency, safety, and ecology criteria of a binary power plant. It is proposed in the investigations on the working fluid selection of the binary plant to use the plotting method of multiaxis complex diagrams of relative parameters and characteristic of binary power plants. Some examples of plotting and analyzing these diagrams intended to choose the working fluid provided that the efficiency of geothermal brine is taken as main priority.

Solid-Liquid Equilibria for the Binary Mixtures 1,4-Xylene + Ethylbenzene and 1,4-Xylene + Toluene

DEFF Research Database (Denmark)

Huyghe, Raphaël; Rasmussen, Peter; Thomsen, Kaj

2004-01-01

Solid-liquid equilibrium (SLE) data for the binary mixtures 1,4-xylene + ethylbenzene, and 1,4-xylene + toluene have been measured using differential scanning calorimetry (DSC) in the temperature range from 133.15 K to 293.15 K.......Solid-liquid equilibrium (SLE) data for the binary mixtures 1,4-xylene + ethylbenzene, and 1,4-xylene + toluene have been measured using differential scanning calorimetry (DSC) in the temperature range from 133.15 K to 293.15 K....

CONSOLIDATION AND COMPACTION OF POWDER MIXTURES .2. BINARY-MIXTURES OF DIFFERENT PARTICLE-SIZE FRACTIONS OF ALPHA-LACTOSE MONOHYDRATE

NARCIS (Netherlands)

RIEPMA, KA; VEENSTRA, J; DEBOER, AH; BOLHUIS, GK; ZUURMAN, K; LERK, CF; VROMANS, H

1991-01-01

Binary mixtures of different particle size fractions of alpha-lactose monohydrate were compacted into tablets. The results showed decreased crushing strengths and decreased internal specific surface areas of the tablets as compared with the values calculated by linear interpolation of the data

Optical properties of binary and ternary liquid mixtures containing tetralin, isobutylbenzene and dodecane

International Nuclear Information System (INIS)

Sechenyh, Vitaliy V.; Legros, Jean-Claude; Shevtsova, Valentina

2013-01-01

Highlights: ► The refractive indices in binary and ternary mixtures of hydrocarbons were measured. ► The error of the theoretical prediction of the refractive indices does not exceed 0.13%. ► The error of the prediction of concentration derivatives is unsatisfactory large. ► Feasibility of application of optical methods to measuring mass transport coefficients is studied. -- Abstract: Refractive indices of binary and ternary mixtures formed by tetralin (1,2,3,4-tetrahydronaphthalene), isobutylbenzene (2-methyl-1-propyl benzene) and n-dodecane are presented over a wide range of compositions. All measurements of the refractive index have been conducted at 298.15 K and atmospheric pressure using two light sources: one in the visible (λ = 670 nm) and the other in the infrared (λ = 925 nm) spectrum. The concentration derivatives of the refractive index have been determined. The mixture compositions, where these two wavelengths are applicable for the measurements of mass transport coefficients by interferometry, are estimated and discussed

CRITICALITY CURVES FOR PLUTONIUM HYDRAULIC FLUID MIXTURES

International Nuclear Information System (INIS)

WITTEKIND WD

2007-01-01

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

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

Energy Technology Data Exchange (ETDEWEB)

Martínez-Ruiz, F. J.; Blas, F. J., E-mail: felipe@uhu.es [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Física Aplicada, Universidad de Huelva, 21007 Huelva (Spain); Moreno-Ventas Bravo, A. I. [Laboratorio de Simulación Molecular y Química Computacional, CIQSO-Centro de Investigación en Química Sostenible and Departamento de Geología, Universidad de Huelva, 21007 Huelva (Spain)

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

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

International Nuclear Information System (INIS)

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

2015-01-01

We determine the interfacial properties of a symmetrical binary mixture of equal-sized spherical Lennard-Jones molecules, σ 11 = σ 22 , with the same dispersive energy between like species, ϵ 11 = ϵ 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 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 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 with a desorption of the

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

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

Almasi, Mohammad

2013-01-01

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, V m E . were calculated and correlated by the Redlich–Kister equation to obtain the binary coefficients and the standard deviations. Excess molar volumes, V m E , 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

Implementation of an ultrasonic instrument for simultaneous mixture and flow analysis of binary gas systems

Energy Technology Data Exchange (ETDEWEB)

Alhroob, M.; Boyd, G.; Hasib, A.; Pearson, B.; Srauss, M.; Young, J. [Department of Physics and Astronomy, University of Oklahoma, Norman, OK 73019, (United States); Bates, R.; Bitadze, A. [School of Physics and Astronomy, University of Glasgow, G12 8QQ, (United Kingdom); Battistin, M.; Berry, S.; Bonneau, P.; Botelho-Direito, J.; Bozza, G.; Crespo-Lopez, O.; DiGirolamo, B.; Favre, G.; Godlewski, J.; Lombard, D.; Zwalinski, L. [CERN, 1211 Geneva 23, (Switzerland); Bousson, N.; Hallewell, G.; Mathieu, M.; Rozanov, A. [Centre de Physique des Particules de Marseille, 163 Avenue de Luminy, 13288 Marseille Cedex 09, (France); Deterre, C.; O' Rourke, A. [Deutsches Elektronen-Synchrotron, Notkestrasse 85, D-22607 Hamburg, (Germany); Doubek, M.; Vacek, V. [Czech Technical University, Technick 4, 166 07 Prague 6, (Czech Republic); Degeorge, C. [Physics Department, Indiana University, Bloomington, IN 47405, (United States); Katunin, S. [B.P. Konstantinov Petersburg Nuclear Physics Institute (PNPI), 188300 St. Petersburg, (Russian Federation); Langevin, N. [Institut Universitaire de Technologie of Marseille, University of Aix-Marseille, 142 Traverse Charles Susini, 13013 Marseille, (France); McMahon, S. [Rutherford Appleton Laboratory - Science and Technology Facilities Council, Harwell Science and Innovation Campus, Didcot OX11 OQX, (United Kingdom); Nagai, K. [Department of Physics, Oxford University, Oxford OX1 3RH, (United Kingdom); Robinson, D. [Department of Physics and Astronomy, University of Cambridge, (United Kingdom); Rossi, C. [INFN - Genova, Via Dodecaneso 33, 16146 Genova, (Italy)

2015-07-01

Precision ultrasonic measurements in binary gas systems provide continuous real-time monitoring of mixture composition and flow. Using custom micro-controller-based electronics, we have developed an ultrasonic instrument, with numerous potential applications, capable of making continuous high-precision sound velocity measurements. The instrument measures sound transit times along two opposite directions aligned parallel to - or obliquely crossing - the gas flow. The difference between the two measured times yields the gas flow rate while their average gives the sound velocity, which can be compared with a sound velocity vs. molar composition look-up table for the binary mixture at a given temperature and pressure. The look-up table may be generated from prior measurements in known mixtures of the two components, from theoretical calculations, or from a combination of the two. We describe the instrument and its performance within numerous applications in the ATLAS experiment at the CERN Large Hadron Collider (LHC). The instrument can be of interest in other areas where continuous in-situ binary gas analysis and flowmetry are required. (authors)

Investigation of Boiling Heat Transfer of Binary Mixture from Vertical Tube Embedded in porous Media

Institute of Scientific and Technical Information of China (English)

HailongMo; TongzeMa; 等

1996-01-01

Ethanol-water binary mixtures with 7 different mole fractions of ethanol ranging from 0 to 1 were adopted as testing liquids in the experiment.The vertical heating tube was inserted in porous matrix composed of five well sorted glass beads whise diameters range from 0.5 to 4.3mm.Due to the effect of composition,the trend of combination of vapor bubbles was reduced.resulting in the increase of peak heat flux of binary mixture,With the increase of ethanol mole fraction,0.5mm diameter bead of peak heat flux of binary mixture.with the increase of ethanol mole fraction.0.5mm diameter bead had lower value of peak heat flux,while for pure liquid the critical state is difficult to appear,with given diameter of glass bead,there existed an optimum value of mole fraction of ethanol,which was decreased with the increase of bead diameter,A dimensionless heat transfer coefficient was predicted through the introduction of a dimensionless parameter of porous matrix which agreed with the experimental results satisfactorily.

Onset of Soret-driven convection of binary fluid in square cavity heated from above at different gravity levels

Science.gov (United States)

Lyubimova, Tatyana; Zubova, Nadezhda

The instability of incompressible viscous binary fluid with the Soret effect in square cavity heated from above is studied for different gravity levels. The no slip and zero mass flux conditions are imposed on all the boundaries. The horizontal boundaries are perfectly conductive, they are maintained at constant different temperatures and vertical boundaries are adiabatic. The calculations are performed for water - isopropanol mixture 90:10. Initial conditions correspond to the motionless state with uniform distribution of components and uniform temperature gradient directed upward. For binary fluid under consideration the separation parameter is negative therefore the Soret effect leads to the accumulation of heavy component in the upper part of cavity, moreover, the rate of accumulation is independent of the gravity level. The linear stability of the unsteady motionless state is studied numerically by solving linearized equations for small perturbations. To determine the time t* for the onset of instability, the criterion suggested in [1] is used. The dependence of t* on the gravity level is obtained. The work was done under financial support of Government of Perm Region, Russia (Contract C-26/212). 1. Shliomis M.I., Souhar M. Europhysics Letters. 2000. Vol. 49 (1), pp. 55-61.

Potential of organic Rankine cycle using zeotropic mixtures as working fluids for waste heat recovery

International Nuclear Information System (INIS)

Li, You-Rong; Du, Mei-Tang; Wu, Chun-Mei; Wu, Shuang-Ying; Liu, Chao

2014-01-01

The performance of the ORC (organic Rankine cycle) systems using zeotropic mixtures as working fluids for recovering waste heat of flue gas from industrial boiler is examined on the basis of thermodynamics and thermo-economics under different operating conditions. In order to explore the potential of the mixtures as the working fluids in the ORC, the effects of various mixtures with different components and composition proportions on the system performance have been analyzed. The results show that the compositions of the mixtures have an important effect on the ORC system performance, which is associated with the temperature glide during the phase change of mixtures. From the point of thermodynamics, the performance of the ORC system is not always improved by employing the mixtures as the working fluids. The merit of the mixtures is related to the restrictive conditions of the ORC, different operating conditions results in different conclusions. At a fixed pinch point temperature difference, the small mean heat transfer temperature difference in heat exchangers will lead to a larger heat transfer area and the larger total cost of the ORC system. Compared with the ORC with pure working fluids, the ORC with the mixtures presents a poor economical performance. - Highlights: • Organic Rankine cycle system with the mixture working fluids for recovering waste heat is analyzed. • The performance of the mixture-fluid ORC is related to temperature glide in phase change of mixture working fluids. • The relative merit of the mixture working fluids depends on the restrictive operation conditions of the ORC. • The ORC with mixture working fluid presents a poor economical performance compared with the pure working fluid case

Ebulliometric determination and prediction of (vapor + liquid) equilibria for binary and ternary mixtures containing alcohols (C{sub 1}-C{sub 4}) and dimethyl carbonate

Energy Technology Data Exchange (ETDEWEB)

Matsuda, Hiroyuki, E-mail: matsuda@chem.cst.nihon-u.ac.jp [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Fukano, Makoto; Kikkawa, Shinichiro [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Constantinescu, Dana [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany); Kurihara, Kiyofumi; Tochigi, Katsumi; Ochi, Kenji [Department of Materials and Applied Chemistry, Nihon University, 1-8 Kanda Surugadai, Chiyoda-ku, Tokyo 101-8308 (Japan); Gmehling, Juergen [Carl von Ossietzky Universitaet Oldenburg, Technische Chemie, D-26111 Oldenburg (Germany)

2012-01-15

Highlights: > The VLE behavior of systems containing dimethyl carbonate (DMC) was investigated. > VLE data for ternary and binary mixtures containing alcohol and DMC were measured. > Several activity coefficient models were used for data reduction or prediction. > Valley line, i.e., distillation boundary, was observed for the ternary mixture. > Residue curves were calculated to investigate composition profile for distillation. - Abstract: (Vapor + liquid) equilibrium (VLE) data for a ternary mixture, namely {l_brace}methanol + propan-1-ol + dimethyl carbonate (DMC){r_brace}, and four binary mixtures, namely an {l_brace}alcohol (C{sub 3} or C{sub 4}) + DMC{r_brace}, containing the binary constituent mixtures of the ternary mixture, were measured at p = (40.00 to 93.32) kPa using a modified Swietoslawski-type ebulliometer. The experimental data for the binary systems were correlated using the Wilson model. The Wilson model was also applied to the ternary system to predict the VLE behavior using parameters from the binary mixtures. The modified UNIFAC (Dortmund) model was also tested for the predictions of the VLE behavior of the binary and ternary mixtures. In addition, the experimental VLE data for the ternary and constituent binary mixtures were correlated using the extended Redlich-Kister (ERK) model, which can completely represent the azeotropic points. For the ternary system, a comparison of the experimental and the predicted or correlated boiling points obtained using the Wilson and ERK models showed that the ERK model is more accurate. The valley line, i.e., the curve which divides the patterns of vapor-liquid tie lines, was found in the (methanol + propan-1-ol + DMC) system. This valley line could be represented by the ERK model. Finally, the composition profile for simple distillation of this ternary mixture was obtained by analysis of the residue curves from the estimated Wilson parameters of the constituent binary mixtures.

Measurements of mixtures with carbon dioxide under supercritical conditions using commercial high pressure equipment

Energy Technology Data Exchange (ETDEWEB)

Andrade, Luciana L.P.R. de; Rutledge, Luis Augusto Medeiros; Moreno, Eesteban L.; Hovell, Ian; Rajagopal, Krishnaswamy [Universidade Federal do Rio de Janeiro (LATCA-EQ-UFRJ), RJ (Brazil). Escola de Quimica. Lab. de Termodinamica e Cinetica Aplicada

2012-07-01

There is a growing interest in studying physical properties of binary and multicomponent fluid mixtures with supercritical carbon dioxide (CO{sub 2}) over an extended range of temperature and pressure. The estimation of properties such as density, viscosity, saturation pressure, compressibility, solubility and surface tension of mixtures is important in design, operation and control as well as optimization of chemical processes especially in extractions, separations, catalytic and enzymatic reactions. The phase behaviour of binary and multicomponent mixtures with supercritical CO{sub 2} is also important in the production and refining of petroleum where mixtures of paraffin, naphthene and aromatics with supercritical fluids are often encountered. Petroleum fluids can present a complex phase behaviour in the presence of CO{sub 2}, where two-phase (VLE and LLE) and three phase regions (VLLE) might occur within ranges of supercritical conditions of temperature and pressure. The objective of this study is to develop an experimental methodology for measuring the phase behaviour of mixtures containing CO{sub 2} in supercritical regions, using commercial high-pressure equipment. (author)

New knowledge on the temperature-entropy saturation boundary slope of working fluids

International Nuclear Information System (INIS)

Su, Wen; Zhao, Li; Deng, Shuai

2017-01-01

The slope of temperature-entropy saturation boundary of working fluids has a significant effect on the thermodynamic performance of cycle processes. However, for the working fluids used in cycles, few studies have been conducted to analyze the saturated slope from the molecular structure and mixture composition. Thus, in this contribution, an analytical expression on the slope of saturated curve is obtained based on the highly accurate Helmholtz energy equation. 14 pure working fluids and three typical binary mixtures are employed to analyze the influence of molecular groups and mixture compositions on the saturated slope, according to the correlated parameters of Helmholtz energy equation. Based on the calculated results, a preliminary trend is demonstrated that with an increase of the number of molecular groups, the positive liquid slope of pure fluids increases and the vapor slope appears positive sign in a narrow temperature range. Particularly, for the binary mixtures, the liquid slope is generally located between the corresponding pure fluids', while the vapor slope can be infinity by mixing dry and wet fluids ingeniously. It can be proved through the analysis of mixtures' saturated slope that three types of vapor slope could be obtained by regulating the mixture composition. - Highlights: • The saturated slope is derived from the Helmholtz function for working fluids. • The effect of molecular structure on the saturated slope is analyzed. • The variation of saturated slope with the mixture composition is investigated.

Soot modeling of counterflow diffusion flames of ethylene-based binary mixture fuels

KAUST Repository

Wang, Yu; Raj, Abhijeet Dhayal; Chung, Suk-Ho

2015-01-01

of ethylene and its binary mixtures with methane, ethane and propane based on the method of moments. The soot model has 36 soot nucleation reactions from 8 PAH molecules including pyrene and larger PAHs. Soot surface growth reactions were based on a modified

New approach in modeling Cr(VI) sorption onto biomass from metal binary mixtures solutions

Energy Technology Data Exchange (ETDEWEB)

Liu, Chang [College of Environmental Science and Engineering, Anhui Normal University, South Jiuhua Road, 189, 241002 Wuhu (China); Chemical Engineering Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain); Fiol, Núria [Chemical Engineering Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain); Villaescusa, Isabel, E-mail: Isabel.Villaescusa@udg.edu [Chemical Engineering Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain); Poch, Jordi [Applied Mathematics Department, Escola Politècnica Superior, Universitat de Girona, Ma Aurèlia Capmany, 61, 17071 Girona (Spain)

2016-01-15

In the last decades Cr(VI) sorption equilibrium and kinetic studies have been carried out using several types of biomasses. However there are few researchers that consider all the simultaneous processes that take place during Cr(VI) sorption (i.e., sorption/reduction of Cr(VI) and simultaneous formation and binding of reduced Cr(III)) when formulating a model that describes the overall sorption process. On the other hand Cr(VI) scarcely exists alone in wastewaters, it is usually found in mixtures with divalent metals. Therefore, the simultaneous removal of Cr(VI) and divalent metals in binary mixtures and the interactive mechanism governing Cr(VI) elimination have gained more and more attention. In the present work, kinetics of Cr(VI) sorption onto exhausted coffee from Cr(VI)–Cu(II) binary mixtures has been studied in a stirred batch reactor. A model including Cr(VI) sorption and reduction, Cr(III) sorption and the effect of the presence of Cu(II) in these processes has been developed and validated. This study constitutes an important advance in modeling Cr(VI) sorption kinetics especially when chromium sorption is in part based on the sorbent capacity of reducing hexavalent chromium and a metal cation is present in the binary mixture. - Highlights: • A kinetic model including Cr(VI) reduction, Cr(VI) and Cr(III) sorption/desorption • Synergistic effect of Cu(II) on Cr(VI) elimination included in the model • Model validation by checking it against independent sets of data.

New approach in modeling Cr(VI) sorption onto biomass from metal binary mixtures solutions

International Nuclear Information System (INIS)

Liu, Chang; Fiol, Núria; Villaescusa, Isabel; Poch, Jordi

2016-01-01

In the last decades Cr(VI) sorption equilibrium and kinetic studies have been carried out using several types of biomasses. However there are few researchers that consider all the simultaneous processes that take place during Cr(VI) sorption (i.e., sorption/reduction of Cr(VI) and simultaneous formation and binding of reduced Cr(III)) when formulating a model that describes the overall sorption process. On the other hand Cr(VI) scarcely exists alone in wastewaters, it is usually found in mixtures with divalent metals. Therefore, the simultaneous removal of Cr(VI) and divalent metals in binary mixtures and the interactive mechanism governing Cr(VI) elimination have gained more and more attention. In the present work, kinetics of Cr(VI) sorption onto exhausted coffee from Cr(VI)–Cu(II) binary mixtures has been studied in a stirred batch reactor. A model including Cr(VI) sorption and reduction, Cr(III) sorption and the effect of the presence of Cu(II) in these processes has been developed and validated. This study constitutes an important advance in modeling Cr(VI) sorption kinetics especially when chromium sorption is in part based on the sorbent capacity of reducing hexavalent chromium and a metal cation is present in the binary mixture. - Highlights: • A kinetic model including Cr(VI) reduction, Cr(VI) and Cr(III) sorption/desorption • Synergistic effect of Cu(II) on Cr(VI) elimination included in the model • Model validation by checking it against independent sets of data

Potential theory of adsorption for associating mixtures: possibilities and limitations

DEFF Research Database (Denmark)

Bjørner, Martin Gamel; Shapiro, Alexander; Kontogeorgis, Georgios

2013-01-01

The applicability of the Multicomponent Potential Theory of Adsorption (MPTA) for prediction of the adsorption equilibrium of several associating binary mixtures on different industrial adsorbents is investigated. In the MPTA the adsorbates are considered to be distributed fluids subject...... to describe the solid-fluid interactions. The potential is extended to include adsorbate-absorbent specific capacities rather than an adsorbent specific capacity. Correlations of pure component isotherms are generally excellent with individual capacities, although adsorption on silicas at different...... temperatures still poses a challenge. The quality of the correlations is usually independent on the applied EoS. Predictions for binary mixtures indicate that the MPTA+SRK is superior when adsorption occurs on non-polar or slightly polar adsorbents, while MPTA+CPA performs better for polar adsorbents, or when...

Dipolar fluid-wall systems. Beyond the image potential

International Nuclear Information System (INIS)

Boudh-hir, M.E.

1989-02-01

The case of dipolar fluid in front of an ideal wall is examined. The surface-fluid system is introduced as a limit case of a binary mixture Using the diagrammatic development, the expansion of the one-particle distribution function is given. 16 refs

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

Energy Technology Data Exchange (ETDEWEB)

Govindaiah, T. N., E-mail: tngovi.phy@gmail.com; Sreepad, H. R. [Post-Graduate Department of Physics, Government College (Autonomous), Mandya-571401 (India); Sridhar, K. N.; Sridhara, G. R.; Nagaraja, N. [Government College for Boys, Kolar-563101 (India)

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.

Measurement of critical temperatures and critical pressures for binary mixtures of methyl tert-butyl ether (MTBE) + alcohol and MTBE + alkane

International Nuclear Information System (INIS)

Han, Kewei; Xia, Shuqian; Ma, Peisheng; Yan, Fangyou; Liu, Tao

2013-01-01

Highlights: • The critical properties of seven binary mixtures related to gasoline were measured. • The critical properties of the five systems containing MTBE were reported for the first time. • Binary interaction parameters were fitted by experimental data using PR EOS with Wong–Sandler mixing rule. • Redlich–Kister equation was used to correlate the experimental data. -- Abstract: A set of high-pressure view apparatus was designed for determining the critical properties of chemicals. In order to check the reliability of the apparatus, the critical temperatures (T c ) and critical pressures (P c ) of pure n-heptane, cyclohexane, methanol, ethanol, 1-propanol, methyl tert-butyl ether (MTBE), and binary mixture n-hexane + ethanol were measured. The experimental data were in good agreement with the literature data, which proves the reliability of the apparatus used in the work. The critical temperatures and critical pressures of five binary mixtures containing gasoline additive (MTBE + n-heptane, MTBE + cyclohexane, MTBE + methanol, MTBE + ethanol, MTBE + 1-propanol) were measured using the high-pressure view cell with visual observation. The critical temperatures and critical pressures for the five binary mixtures were all reported for the first time. In addition, the critical temperatures and critical pressures of the binary mixture n-heptane + cyclohexane (two of main components in gasoline) were also measured. All the critical lines for the mixtures studied are continuous which connect the critical points of the two pure components, indicating their phase diagrams belong to type I proposed by Scott and van Konynenburg. The critical points of these systems were calculated by the Peng–Robinson equation of state with the Wong–Sandler mixing rule. This model could calculate the critical properties of the mixtures well with the binary interaction parameter k ij obtained by fitting the experimental critical data. And the experimental data were all

Modeling diffusion coefficients in binary mixtures of polar and non-polar compounds

DEFF Research Database (Denmark)

Medvedev, Oleg; Shapiro, Alexander

2005-01-01

The theory of transport coefficients in liquids, developed previously, is tested on a description of the diffusion coefficients in binary polar/non-polar mixtures, by applying advanced thermodynamic models. Comparison to a large set of experimental data shows good performance of the model. Only f...

Interfacial tensions of binary mixtures of ethanol with octane, decane, dodecane, and tetradecane

International Nuclear Information System (INIS)

Mejia, Andres; Cartes, Marcela; Segura, Hugo

2011-01-01

Highlights: → Experimental interfacial tensions in binary mixtures with aneotropic behavior. → Experimental interfacial tensions for ethanol + hydrocarbon mixtures. → Aneotropic displacement in ethanol mixtures. - Abstract: This contribution is devoted to the experimental characterization of interfacial tensions of a representative group of binary mixtures pertaining to the (ethanol + linear hydrocarbon) series (i.e. octane, decane, dodecane, and tetradecane). Experimental measurements were isothermically performed using a maximum differential bubble pressure technique, which was applied over the whole mole fraction range and over the temperature range 298.15 K < T/K < 318.15 K. Experimental results show that the interfacial tensions of (ethanol + octane or decane) negatively deviate from the linear behavior and that sharp minimum points on concentration, or aneotropes, are observed for each isotherm. The interfacial tensions of (ethanol + dodecane or tetradecane), in turn, are characterized by combined deviations from the linear behavior, and inflecting behavior observed on concentration for each isotherm. The experimental evidence also shows that these latter mixtures are close to exhibit aneotropy. For the case of (ethanol + octane or decane) mixtures, aneotropy was clearly induced by the similarity of the interfacial tension values of the constituents. The inflecting behavior of the interfacial tensions of (ethanol + dodecane or tetradecane), in turn, was observed in the vicinity of the coordinates of the critical point of these mixtures, thus pointing to the fact that the quasi-aneotropic singularity that affects these mixtures was provoked by the proximity of an immiscibility gap of the liquid phase. Finally, the experimental data of interfacial tensions were smoothed with the Scott-Myers expansion, from which it is possible to conclude that the observed aneotropic concentrations weakly depend on temperature for all the analyzed mixtures.

Modelling of volumetric properties of binary and ternary mixtures by CEOS, CEOS/GE and empirical models

Directory of Open Access Journals (Sweden)

BOJAN D. DJORDJEVIC

2007-12-01

Full Text Available Although many cubic equations of state coupled with van der Waals-one fluid mixing rules including temperature dependent interaction parameters are sufficient for representing phase equilibria and excess properties (excess molar enthalpy HE, excess molar volume VE, etc., difficulties appear in the correlation and prediction of thermodynamic properties of complex mixtures at various temperature and pressure ranges. Great progress has been made by a new approach based on CEOS/GE models. This paper reviews the last six-year of progress achieved in modelling of the volumetric properties for complex binary and ternary systems of non-electrolytes by the CEOS and CEOS/GE approaches. In addition, the vdW1 and TCBT models were used to estimate the excess molar volume VE of ternary systems methanol + chloroform + benzene and 1-propanol + chloroform + benzene, as well as the corresponding binaries methanol + chloroform, chloroform + benzene, 1-propanol + chloroform and 1-propanol + benzene at 288.15–313.15 K and atmospheric pressure. Also, prediction of VE for both ternaries by empirical models (Radojković, Kohler, Jackob–Fitzner, Colinet, Tsao–Smith, Toop, Scatchard, Rastogi was performed.

Vapor-liquid equilibria of binary and ternary mixtures of acetaldehyde with Versatic 9 and Veova 9

NARCIS (Netherlands)

Raeissi, S.; Florusse, L.J.; Kroon, M.C.; Peters, C.J.

2016-01-01

In continuation of our earlier publication on the phase behavior of binary and ternary mixtures involving acetaldehyde, Versatic 10, and Veova 10, in this work we present bubble-point pressures of the binary and ternary systems of acetaldehyde, Versatic 9, and Veova 9. The measurements were carried

Diffusion measurements in binary liquid mixtures by Raman spectroscopy

DEFF Research Database (Denmark)

Berg, Rolf W.; Hansen, Susanne Brunsgaard; Shapiro, Alexander

2007-01-01

It is shown that Raman spectroscopy allows determination of the molar fractions in mixtures subjected to molecular diffusion. Spectra of three binary systems, benzene/n-hexane, benzene/cyclohexane, and benzene/ acetone, were obtained during vertical (exchange) diffusion at several different heights...... in the literature were found, even in a thermostatically controlled diffusion cell, recording spectra through circulating water. For the system benzene/acetone, the determined diffusion coefficients were in good agreement with the literature data. The limitations of the Raman method are discussed...

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

Science.gov (United States)

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.

Investigation of the effect of different refrigerants on performances of binary geothermal power plants

International Nuclear Information System (INIS)

Basaran, Anil; Ozgener, Leyla

2013-01-01

Highlights: • Working fluid selection plays a key role on binary cycle performance. • Selected refrigerants were analyzed in the sample cycle under the same working conditions. • Energy and exergy efficiencies of binary cycle were calculated for 8 refrigerants. - Abstract: The paper tries to review the argument of the use of working fluids for binary cycle power plants and has been dedicated to this specific argument with a more general perspective. Binary cycle that allows the production of electricity from geothermal energy sources is one of these systems. In this cycle, thermal energy obtained from geothermal sources is transferred to second working fluid. Therefore, selection of second working fluid plays a key role on the cycle performance. In this study, a sample geothermal binary power cycle was modeled and 12 refrigerants that are HFC, HC, and zoetrope refrigerant mixtures were selected as working fluid. Energy and exergy efficiencies of binary cycle were calculated for 12 refrigerants. Dry type fluids of investigated refrigerants R 236ea, R 600, R 600a, and R 227ea showed higher energy and exergy efficiencies, respectively. On the other hand, R 143a, R 415A, R 290, and R 413A that are wet fluids indicated lower energy and exergy efficiencies, respectively

Excess molar volume and viscosity deviation for binary mixtures of γ-butyrolactone with dimethyl sulfoxide

International Nuclear Information System (INIS)

Krakowiak, Joanna; Śmiechowski, Maciej

2017-01-01

Highlights: • Densities and viscosities of DMSO-GBL binary liquid mixtures were measured. • The volumetric parameters and excess quantities were obtained. • Ab initio calculations were performed for single molecules and dimers in the studied mixture. • The interactions in solutions are weaker than in pure solvents. - Abstract: The densities of binary liquid mixtures of dimethyl sulfoxide and γ-butyrolactone at (293.15, 298.15, 303.15 and 313.15) K and viscosity at T = 298.15 K have been measured at atmospheric pressure over the entire range of concentration. From these data the excess molar volumes V E at (293.15, 298.15, 303.15 and 313.15) K and the viscosity deviation, the excess entropy, and the excess Gibbs energy of activation for viscous flow at T = 298.15 K have been determined. These data were mathematically represented by the Redlich-Kister polynomial. Partial and apparent molar volumes have been calculated for better understanding of the interactions in the binary systems. The obtained data indicate the lack of specific interactions between unlike molecules, which seem to be a little weaker as compared to the interactions in pure solvents.

A globally accurate theory for a class of binary mixture models

Science.gov (United States)

Dickman, Adriana G.; Stell, G.

The self-consistent Ornstein-Zernike approximation results for the 3D Ising model are used to obtain phase diagrams for binary mixtures described by decorated models, yielding the plait point, binodals, and closed-loop coexistence curves for the models proposed by Widom, Clark, Neece, and Wheeler. The results are in good agreement with series expansions and experiments.

Instabilities in vertically vibrated fluid-grain systems.

Science.gov (United States)

King, P J; Lopez-Alcaraz, P; Pacheco-Martinez, H A; Clement, C P; Smith, A J; Swift, M R

2007-03-01

When a bed of fluid-immersed fine grains is exposed to vertical vibration a wealth of phenomena may be observed. At low frequencies a horizontal bed geometry is generally unstable and the bed breaks spatial symmetry, acquiring a tilt. At the same time it undergoes asymmetric granular convection. Fine binary mixtures may separate completely into layers or patterns of stripes. The separated regions may exhibit instabilities in which they undergo wave-like motion or exhibit quasi-periodic oscillations. We briefly review these and a number of related behaviours, identifying the physical mechanisms behind each. Finally, we discuss the magneto-vibratory separation of binary mixtures which results from exposing each component to a different effective gravity and describe the influence of a background fluid on this process.

Experimental, theoretical and numerical interpretation of thermodiffusion separation for a non-associating binary mixture in liquid/porous layers

International Nuclear Information System (INIS)

Ahadi, Amirhossein; Jawad, H.; Saghir, M.Z.; Giraudet, C.; Croccolo, F.; Bataller, H.

2014-01-01

Thermodiffusion in a hydrocarbon binary mixture has been investigated experimentally and numerically in a liquid-porous cavity. The solutal separation of the 50% toluene and 50% n-hexane binary mixture induced by a temperature difference at atmospheric pressure has been performed in a new thermodiffusion cell. A new optimized cell design is used in this study. The inner part of the cell is a cylindrical porous medium sandwiched between two liquid layers of the same binary hydrocarbon mixture. Experimental measurement and theoretical estimation of the molecular diffusion and thermodiffusion coefficients showed a good agreement. In order to understand the different regimes occurring in the different parts of the cell, a full transient numerical simulation of the solutal separation of the binary mixture has been performed. Numerical results showed that the lighter species, which are of n-hexane migrated toward the hot surface, while the denser species, which is toluene migrated towards the cold surface. Also, it was found that a good agreement has been reached between experimental measurements and numerical calculations for the solutal separation between the hot and cold surface for different medium porosity. In addition, we used the numerical results to analyse convection and diffusion regions in the cell precisely. (authors)

Cosolvent effect on the dynamics of water in aqueous binary mixtures

Science.gov (United States)

Zhang, Xia; Zhang, Lu; Jin, Tan; Zhang, Qiang; Zhuang, Wei

2018-04-01

Water rotational dynamics in the mixtures of water and amphiphilic molecules, such as acetone and dimethyl sulfoxide (DMSO), measured by femtosecond infrared, often vary non-monotonically as the amphiphilic molecule's molar fraction changes from 0 to 1. Recent study has attributed the non-ideal water rotation with concentration in DMSO-water mixtures to different microscopic hydrophilic-hydrophobic segregation structure in water-rich and water-poor mixtures. Interestingly, the acetone molecule has very similar molecular structure to DMSO, but the extremum of the water rotational time in the DMSO-water mixtures significantly shifts to lower concentration and the rotation of water is much faster than those in acetone-water mixtures. The simulation results here shows that the non-ideal rotational dynamics of water in both mixtures are due to the frame rotation during the interval of hydrogen bond (HB) switchings. A turnover of the frame rotation with concentration takes place as the structure transition of mixture from the hydrogen bond percolation structure to the hydrophobic percolation structure. The weak acetone-water hydrogen bond strengthens the hydrophobic aggregation and accelerates the relaxation of the hydrogen bond, so that the structure transition takes places at lower concentration and the rotation of water is faster in acetone-water mixture than in DMSO-water mixture. A generally microscopic picture on the mixing effect on the water dynamics in binary aqueous mixtures is presented here.

CONSOLIDATION AND COMPACTION OF POWDER MIXTURES .1. BINARY-MIXTURES OF SAME PARTICLE-SIZE FRACTIONS OF DIFFERENT TYPES OF CRYSTALLINE LACTOSE

NARCIS (Netherlands)

RIEPMA, KA; LERK, CF; DEBOER, AH; BOLHUIS, GK; KUSSENDRAGER, KD

1990-01-01

Binary powder mixtures of four different types of crystalline lactose: alpha-lactose monohydrate, anhydrous alpha-lactose, roller-dried beta-lactose and crystalline beta-lactose, were compressed into tablets. The results showed a proportional intercorrelation of the crushing strength and internal

Diffusion of Magnetized Binary Ionic Mixtures at Ultracold Plasma Conditions

Science.gov (United States)

Vidal, Keith R.; Baalrud, Scott D.

2017-10-01

Ultracold plasma experiments offer an accessible means to test transport theories for strongly coupled systems. Application of an external magnetic field might further increase their utility by inhibiting heating mechanisms of ions and electrons and increasing the temperature at which strong coupling effects are observed. We present results focused on developing and validating a transport theory to describe binary ionic mixtures across a wide range of coupling and magnetization strengths relevant to ultracold plasma experiments. The transport theory is an extension of the Effective Potential Theory (EPT), which has been shown to accurately model correlation effects at these conditions, to include magnetization. We focus on diffusion as it can be measured in ultracold plasma experiments. Using EPT within the framework of the Chapman-Enskog expansion, the parallel and perpendicular self and interdiffusion coefficients for binary ionic mixtures with varying mass ratios are calculated and are compared to molecular dynamics simulations. The theory is found to accurately extend Braginskii-like transport to stronger coupling, but to break down when the magnetization strength becomes large enough that the typical gyroradius is smaller than the interaction scale length. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-16-1-0221.

Study of thermodynamic and acoustic behaviour of nicotinic acid in binary aqueous mixtures of D-lactose

Science.gov (United States)

Sharma, Ravi; Thakur, R. C.

2017-07-01

In the present study, the thermodynamic properties such as partial molar volumes, partial molar expansibilities, partial molar compressibilities, partial molar heat capacities and isobaric thermal expansion coefficient of different solutions of nicotinic acid in binary aqueous mixtures of D-lactose have been determined at different temperatures (298.15, 303.15, 308.15, 313.15) K. Masson's equation is used to interpret the data in terms of solute-solute and solute-solvent interactions. In the present study it has been found that nicotinic acid behaves as structure maker in aqueous and binary aqueous mixtures of D-lactose.

Computer simulation of solid-liquid coexistence in binary hard sphere mixtures

NARCIS (Netherlands)

Kranendonk, W.G.T.; Frenkel, D.

1991-01-01

We present the results of a computer simulation study of the solid-liquid coexistence of a binary hard sphere mixture for diameter ratios in the range 0·85 ⩽ ğa ⩽ 1>·00. For the solid phase we only consider substitutionally disordered FCC and HCP crystals. For 0·9425 < α < 1·00 we find a

Concept of planetary gear system to control fluid mixture ratio

Science.gov (United States)

Mcgroarty, J. D.

1966-01-01

Mechanical device senses and corrects for fluid flow departures from the selected flow ratio of two fluids. This system has been considered for control of rocket engine propellant mixture control but could find use wherever control of the flow ratio of any two fluids is desired.

Stability indicating HPLC-DAD method for analysis of Ketorolac binary and ternary mixtures in eye drops: Quantitative analysis in rabbit aqueous humor.

Science.gov (United States)

El Yazbi, Fawzy A; Hassan, Ekram M; Khamis, Essam F; Ragab, Marwa A A; Hamdy, Mohamed M A

2017-11-15

Ketorolac tromethamine (KTC) with phenylephrine hydrochloride (PHE) binary mixture (mixture 1) and their ternary mixture with chlorpheniramine maleate (CPM) (mixture 2) were analyzed using a validated HPLC-DAD method. The developed method was suitable for the in vitro as well as quantitative analysis of the targeted mixtures in rabbit aqueous humor. The analysis in dosage form (eye drops) was a stability indicating one at which drugs were separated from possible degradation products arising from different stress conditions (in vitro analysis). For analysis in aqueous humor, Guaifenesin (GUF) was used as internal standard and the method was validated according to FDA regulation for analysis in biological fluids. Agilent 5 HC-C18(2) 150×4.6mm was used as stationary phase with a gradient eluting solvent of 20mM phosphate buffer pH 4.6 containing 0.2% triethylamine and acetonitrile. The drugs were resolved with retention times of 2.41, 5.26, 7.92 and 9.64min for PHE, GUF, KTC and CPM, respectively. The method was sensitive and selective to analyze simultaneously the three drugs in presence of possible forced degradation products and dosage form excipients (in vitro analysis) and also with the internal standard, in presence of aqueous humor interferences (analysis in biological fluid), at a single wavelength (261nm). No extraction procedure was required for analysis in aqueous humor. The simplicity of the method emphasizes its capability to analyze the drugs in vivo (in rabbit aqueous humor) and in vitro (in pharmaceutical formulations). Copyright © 2017 Elsevier B.V. All rights reserved.

The phase behavior of a hard sphere chain model of a binary n-alkane mixture

International Nuclear Information System (INIS)

Malanoski, A. P.; Monson, P. A.

2000-01-01

Monte Carlo computer simulations have been used to study the solid and fluid phase properties as well as phase equilibrium in a flexible, united atom, hard sphere chain model of n-heptane/n-octane mixtures. We describe a methodology for calculating the chemical potentials for the components in the mixture based on a technique used previously for atomic mixtures. The mixture was found to conform accurately to ideal solution behavior in the fluid phase. However, much greater nonidealities were seen in the solid phase. Phase equilibrium calculations indicate a phase diagram with solid-fluid phase equilibrium and a eutectic point. The components are only miscible in the solid phase for dilute solutions of the shorter chains in the longer chains. (c) 2000 American Institute of Physics

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

Energy Technology Data Exchange (ETDEWEB)

Barata, Carlos [Laboratory of Environmental Toxicology, Universitat Poltiecnica de Catalunya, CN 150 Km 14.5, Terrassa 08220 (Spain)]. E-mail: barata@intexter.upc.edu; Baird, D.J. [National Water Research Institute (Environment Canada) at Canadian Rivers Institute, 10 Bailey Drive, PO Box 45111, University of New Brunswick, Fredericton E3B 6E1, New Brunswick (Canada); Nogueira, A.J.A. [Departamento de Biologia, Universidade de Aveiro, 3810-193 Aveiro (Portugal); Soares, A.M.V.M. [Departamento de Biologia, Universidade de Aveiro, 3810-193 Aveiro (Portugal); Riva, M.C. [Laboratory of Environmental Toxicology, Universitat Poltiecnica de Catalunya, CN 150 Km 14.5, Terrassa 08220 (Spain)

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

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

International Nuclear Information System (INIS)

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

2006-01-01

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 (λ-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

Binary mixtures of condensates in generic confining potentials

Energy Technology Data Exchange (ETDEWEB)

Facchi, P [Dipartimento di Matematica and MECENAS, Universita di Bari, I-70125 Bari (Italy); Florio, G; Pascazio, S; Pepe, F V, E-mail: Francesco.Pepe@ba.infn.it [INFN, Sezione di Bari, I-70126 Bari (Italy)

2011-12-16

We study a binary mixture of Bose-Einstein condensates, confined in a generic potential, in the Thomas-Fermi approximation. We search for the zero-temperature ground state of the system, both in the case of fixed numbers of particles and fixed chemical potentials. For generic potentials, we analyze the transition from mixed to separated ground-state configurations as the inter-species interaction increases. We derive a simple formula that enables one to determine the location of the domain walls. Finally, we find criteria for the energetic stability of separated configurations, depending on the number and the position of the domain walls separating the two species. (paper)

Binary mixtures of condensates in generic confining potentials

Science.gov (United States)

Facchi, P.; Florio, G.; Pascazio, S.; Pepe, F. V.

2011-12-01

We study a binary mixture of Bose-Einstein condensates, confined in a generic potential, in the Thomas-Fermi approximation. We search for the zero-temperature ground state of the system, both in the case of fixed numbers of particles and fixed chemical potentials. For generic potentials, we analyze the transition from mixed to separated ground-state configurations as the inter-species interaction increases. We derive a simple formula that enables one to determine the location of the domain walls. Finally, we find criteria for the energetic stability of separated configurations, depending on the number and the position of the domain walls separating the two species.

Binary mixtures of condensates in generic confining potentials

International Nuclear Information System (INIS)

Facchi, P; Florio, G; Pascazio, S; Pepe, F V

2011-01-01

We study a binary mixture of Bose–Einstein condensates, confined in a generic potential, in the Thomas–Fermi approximation. We search for the zero-temperature ground state of the system, both in the case of fixed numbers of particles and fixed chemical potentials. For generic potentials, we analyze the transition from mixed to separated ground-state configurations as the inter-species interaction increases. We derive a simple formula that enables one to determine the location of the domain walls. Finally, we find criteria for the energetic stability of separated configurations, depending on the number and the position of the domain walls separating the two species. (paper)

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

Science.gov (United States)

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.

Control of Native Spoilage Yeast on Dealcoholized Red Wine by Preservatives Alone and in Binary Mixtures.

Science.gov (United States)

Sánchez-Rubio, Marta; Guerrouj, Kamal; Taboada-Rodríguez, Amaury; López-Gómez, Antonio; Marín-Iniesta, Fulgencio

2017-09-01

In order to preserve a commercial dealcoholized red wine (DRW), a study with 4 preservatives and binary mixtures of them were performed against 2 native spoilage yeasts: Rhodotorula mucilaginosa and Saccharomyces cerevisiae. Minimal inhibitory concentration (MIC) and minimal fungicidal concentration (MFC) for potassium sorbate, sodium benzoate, sodium metabisulfite and dimethyl dicarbonate (DMDC) were evaluated in DRW stored at 25 °C. MICs of potassium sorbate and sodium metabisulfite were 250 and 60 mg/kg, respectively for both target strains. However for sodium benzoate, differences between yeasts were found; R. mucilaginosa was inhibited at 125 mg/kg, while S. cerevisiae at 250 mg/kg. Regarding MFC, differences between strains were only found for sodium metabisulfite obtaining a MFC of 500 mg/kg for R. mucilaginosa and a MFC of 250 mg/kg for S. cerevisiae. Potassium sorbate and sodium benzoate showed the MFC at 1000 mg/kg and DMDC at 200 mg/kg. Regarding the effect of binary mixtures the Fractional Fungicidal Concentration Index (FFC i ) methodology showed that binary mixtures of 100 mg/kg DMDC/200 mg/kg potassium sorbate (FFC i = 0.7) and 50 mg/kg DMDC / 400 mg/kg sodium benzoate (FFC i = 0.65) have both synergistic effect against the 2 target strains. These binary mixtures can control the growth of spoilage yeasts in DRW without metabisulfite addition. The results of this work may be important in preserving the health of DRW consumers by eliminating the use of metabisulfite and reducing the risk of growth of R. mucilagosa, recently recognized as an emerging pathogen. © 2017 Institute of Food Technologists®.

Status of thermophysical properties data for pure fluids and mixtures of cryogenic interest

International Nuclear Information System (INIS)

Haynes, W.M.; Hiza, M.J.; Kidney, A.J.; Olien, N.A.

1984-01-01

This chapter discusses the importance, availability, and deficiencies of the existing data bases for the thermophysical properties of cryogenic fluids, including mixtures, considering both scientific and engineering interests. The following types of phase equilibria are emphasized: liquid-vapor, solid-vapor, liquid-liquid (or liquid-liquid-vapor), and solid-liquid (or solid-liquid-vapor). The available thermophysical properties data for both pure fluids and mixtures are summarized. Specific recommendations are made for future experimental measurements. It is predicted that the major thrust of future studies of cryogenic fluids will involve mixtures. The fluids considered include those involved in cryogenic processing with melting temperatures below ambient

Computational fluid dynamics modeling and analysis of Pd-based membrane module for CO{sub 2} capture from H{sub 2}/CO{sub 2} binary gas mixture

Energy Technology Data Exchange (ETDEWEB)

Shin, Dong-Yoon; Park, Myung-June [Ajou University, Suwon (Korea, Republic of); Hwang, Kyung-Ran; Park, Jong-Soo [Korea Institute of Energy Research, Daejeon (Korea, Republic of)

2015-07-15

A Pd-based membrane module for the capture of CO{sub 2} from a H{sub 2}/CO{sub 2} binary gas mixture was considered, and computational fluid dynamics modeling was used to predict the module performance. Detailed models of momentum and mass balances, including local flux as a function of local linear velocity, satisfactorily described CO{sub 2} fraction in a retentate tube when compared to the experimental data under various feed flow rates. By using the model, several cases having different geometries, including the location and diameter of feed tube and the number and location of the feed and retentate tubes, were considered. Among tested geometries, the case of two feed tubes with each offset by an angle, θ, of 45° from the center line, and a feed tube diameter of 2.45mm showed the increase of the feed flow rate up to 11.80% compared to the reference case while a CO{sub 2} fraction of 90% in the retentate, which was the criterion for effective CO{sub 2} capture in the present study, was guaranteed. This would result in a plausible reduction in capital expenditures for the CO{sub 2} capture process.

Separation of a target substance from a fluid or mixture using encapsulated sorbents

Energy Technology Data Exchange (ETDEWEB)

Aines, Roger D; Spadaccini, Christopher M; Stolaroff, Joshuah K; Bourcier, William L; Lewis, Jennifer A; Duoss, Eric B; Vericella, John J

2014-09-16

Method and apparatus for separating a target substance from a fluid or mixture. Capsules having a coating and stripping solvents encapsulated in the capsules are provided. The coating is permeable to the target substance. The capsules having a coating and stripping solvents encapsulated in the capsules are exposed to the fluid or mixture. The target substance migrates through the coating and is taken up by the stripping solvents. The target substance is separated from the fluid or mixture by driving off the target substance from the capsules.

Direct numerical simulations of nucleate boiling flows of binary mixtures

International Nuclear Information System (INIS)

Didier Jamet; Celia Fouillet

2005-01-01

phenomena. Namely, it is numerically observed that, for binary mixtures involving small amounts of a quasi non-condensable gas, the large decrease of the heat transfer coefficient observed is mostly due to the concentration distribution close to the triple line. Therefore, for direct numerical simulations of nucleate boiling of binary mixtures to provide quantitative results, it is important to account for the variations of the interface temperature with the local concentration of the mixture components in the close vicinity of the triple line. This knowledge requires a better modeling of the triple line motion of binary mixtures during liquid-vapor phase-change, which is still a very difficult modeling task. (author)

Dielectric study of molecular association in the binary mixtures (2-ethyl-1-hexanol + alcohol) and (cyclohexane + alcohol) at 298.2 K

Energy Technology Data Exchange (ETDEWEB)

Ghanadzadeh, A. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of)]. E-mail: aggilani@guilan.ac.ir; Ghanadzadeh, H. [Department of Chemical Engineering, Guilan University, Rasht (Iran, Islamic Republic of); Sariri, R. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of); Ebrahimi, L. [Department of Chemistry, Guilan University, Rasht (Iran, Islamic Republic of)

2005-04-15

Experimental results of dielectric investigations of three binary mixtures (ethanol + 2-ethyl-1-hexanol), (n-butanol + 2-ethyl-1-hexanol), and (tert-butanol + 2-ethyl-1-hexanol) were reported for various mole fractions at 298.2 K. The variations of dipole moment and correlation factor, g, with mole fraction in these mixtures were investigated using a unified quasichemical method described by Durov. The molecular associations of (ethanol + cyclohexane), (n-butanol + cyclohexane), and (tert-butanol + cyclohexane) binary mixtures were also investigated using the static dielectric method. A similar trend was observed in the variation of the dipole moments with the solute mole fractions in the both binary systems (i.e., alcohol + 2-ethyl-1-hexanol and alcohol + cyclohexane)

Behavior of the Thermodynamic Properties of Binary Mixtures near the Critical Azeotrope

Directory of Open Access Journals (Sweden)

Azzedine Abbaci

2003-12-01

Full Text Available Abstract: In this work we investigate the critical line of binary azeotropic mixtures of acetone-n-pentane. We pinpoint the abnormal behavior of the critical density line as a function of the mole fraction of one of the component and show its influence on other thermodynamic properties such as the volume, the enthalpy and the entropy.

An energy stable algorithm for a quasi-incompressible hydrodynamic phase-field model of viscous fluid mixtures with variable densities and viscosities

Science.gov (United States)

Gong, Yuezheng; Zhao, Jia; Wang, Qi

2017-10-01

A quasi-incompressible hydrodynamic phase field model for flows of fluid mixtures of two incompressible viscous fluids of distinct densities and viscosities is derived by using the generalized Onsager principle, which warrants the variational structure, the mass conservation and energy dissipation law. We recast the model in an equivalent form and discretize the equivalent system in space firstly to arrive at a time-dependent ordinary differential and algebraic equation (DAE) system, which preserves the mass conservation and energy dissipation law at the semi-discrete level. Then, we develop a temporal discretization scheme for the DAE system, where the mass conservation and the energy dissipation law are once again preserved at the fully discretized level. We prove that the fully discretized algorithm is unconditionally energy stable. Several numerical examples, including drop dynamics of viscous fluid drops immersed in another viscous fluid matrix and mixing dynamics of binary polymeric solutions, are presented to show the convergence property as well as the accuracy and efficiency of the new scheme.

Densimetry for the Quantification of Sorption Phenomena on Nonporous Media Near the Dew Point of Fluid Mixtures.

Science.gov (United States)

Richter, Markus; McLinden, Mark O

2017-07-21

Phase equilibria of fluid mixtures are important in numerous industrial applications and are, thus, a major focus of thermophysical property research. Improved data, particularly along the dew line, are needed to improve model predictions. Here we present experimental results utilizing highly accurate densimetry to quantify the effects of sorption and capillary condensation, which exert a distorting influence on measured properties near the dew line. We investigate the (pressure, density, temperature, composition) behaviour of binary (CH 4  + C 3 H 8 ) and (Ar + CO 2 ) mixtures over the temperature range from (248.15 to 273.15) K starting at low pressures and increasing in pressure towards the dew point along isotherms. Three distinct regions are observed: (1) minor sorption effects in micropores at low pressures; (2) capillary condensation followed by wetting in macro-scale surface scratches beginning approximately 2% below the dew-point pressure; (3) bulk condensation. We hypothesize that the true dew point lies within the second region.

Study of the refractive index of gasoline+alcohol pseudo-binary mixtures

Directory of Open Access Journals (Sweden)

Nita Irina

2017-02-01

Full Text Available The properties of gasoline change as a result of blending with a bioalcohol, affecting the behavior of the pseudo-binary system. The aim of this paper is to present experimental data of the refractive index for pseudobinary mixtures of a reformate gasoline with ethanol, isopropanol and n-butanol over the entire composition range and for temperature ranging from 293.15 K to 313.15 K. The accuracy of different equations to predict the refractive index of the mixtures was tested. The best prediction accuracy (the lower AAD corresponded to Eykman and Lorentz-Lorenz mixing rules. A logarithmic equation proposed to correlate the refractive index with composition and temperature of gasoline+alcohol mixtures showed a good accuracy (the absolute average deviation AAD < 0.052%. The deviations in refractive index for investigated systems are negative over the entire composition range and at all investigated temperatures.

Surface tension of heptane, decane, hexadecane, eicosane, and some of their binary mixtures

DEFF Research Database (Denmark)

Rolo, Lara I.; Caco, Ana I.; Queimada, Antonio

2002-01-01

Surface tension measurements were performed by the Wilhelmy plate method. Measured systems included pure heptane, decane, hexadecane, eicosane, and some of their binary mixtures at temperatures from 293.15 K to 343.15 K with an average absolute deviation of 1.6%. The results were compared with a ...

Study of thermodynamic and transport properties of binary liquid mixture of diesel with biodiesel at 298.15K

Science.gov (United States)

Suthar, Shyam Sunder; Purohit, Suresh

2018-05-01

Properties of diesel and biodiesel (produced from corn oil) are used. Densities and viscosities of binary mixture of diesel with biodiesel (produced from corn oil) have been computed by using liquid binary mixture law over the entire range of compositions at T=298.15K and atmospheric pressure. From the computed values of density and viscosities, viscosity deviation (Δη), the excess molar volume (VE) and excess Gibbs energy of activation of viscous flow (ΔG#E) have been calculated. The results of excess volume, excess Gibbs energy of activation of viscous flow and viscosity deviation have been fitted to Redlich -Kister models to estimate the binary coefficients. The results are communicated in terms of the molecular interactions and the best suited composition has been found.

Densities and viscosities of the mixtures (formamide + 2-alkanol): Experimental and theoretical approaches

International Nuclear Information System (INIS)

Almasi, Mohammad

2014-01-01

Graphical abstract: Viscosity deviations △η vs. mole fraction of FA, for binary mixtures of FA with (□) 2-PrOH, (●) 2-BuOH, (■) 2-PenOH, (◀) 2-HexOH, (◊) 2-HepOH at T = 298.15 K. The solid curves were calculated from Redlich–Kister type equation. -- Highlights: • Densities and viscosities of the mixtures (formamide + 2-alkanols) were measured. • Experiments were performed over the entire mole fraction at four temperatures. • SAFT and PC-SAFT were applied to predict the volumetric behavior of mixtures. • PRSV equation of state (EOS) has been used to predict the binary viscosities. -- Abstract: Densities and viscosities of binary liquid mixtures of formamide (FA) with polar solvents namely, 2-PrOH, 2-BuOH, 2-PenOH, 2-HexOH, and 2-HepOH, have been measured as a function of composition range at temperatures (298.15, 303.15, 308.15, 313.15) K and ambient pressure. From experimental data, excess molar volumes, V m E and viscosity deviations Δη, were calculated and correlated by Redlich–Kister type function. The effect of temperature and chain-length of the 2-alkanols on the excess molar volumes and viscosity deviations are discussed in terms of molecular interaction between unlike molecules. The statistical associating fluid theory (SAFT), and perturbed chain statistical associating fluid theory (PC-SAFT) were applied to correlate and predict the volumetric behavior of the mixtures. The best predictions were achieved with the PC-SAFT equation of state. Also the Peng–Robinson–Stryjek–Vera equation of state has been used to predict the viscosity of binary mixtures

High pressure phase behaviour of the binary mixture for the 2-hydroxyethyl methacrylate, 2-hydroxypropyl acrylate, and 2-hydroxypropyl methacrylate in supercritical carbon dioxide

International Nuclear Information System (INIS)

Byun, Hun-Soo; Choi, Min-Yong

2007-01-01

Experimental data of high pressure phase behaviour for binary mixtures of {carbon dioxide + 2-hydroxyethyl methacrylate (HEMA)}, {carbon dioxide + 2-hydroxypropyl acrylate (HPA)}, and {carbon dioxide + 2-hydroxypropyl methacrylate (HPMA)} were determined using a static type with the variable-volume cell at temperatures from (313.2 to 393.2) K and pressures up to 27.10 MPa. Among these binary experimental data, the bubble-point data were correlated with the Peng-Robinson equation of state using a van der Waals one-fluid mixing rule containing two interaction parameters (k ij and η ij ). The (carbon dioxide + HEMA), (carbon dioxide + HPA), and (carbon dioxide + HPMA) systems exhibit type-I phase behaviour. At constant pressure, the solubility of HEMA, HPA, and HPMA for the (Carbon dioxide + HEMA), (carbon dioxide + HPA), and (carbon dioxide + HPMA) systems increases as the temperature increases

Measurement and modelling of high pressure density and interfacial tension of (gas + n-alkane) binary mixtures

International Nuclear Information System (INIS)

Pereira, Luís M.C.; Chapoy, Antonin; Burgass, Rod; Tohidi, Bahman

2016-01-01

Highlights: • (Density + IFT) measurements are performed in synthetic reservoir fluids. • Measured systems include CO_2, CH_4 and N_2 with n-decane. • Novel data are reported for temperatures up to 443 K and pressures up to 69 MPa. • Predictive models are tested in 16 (gas + n-alkane) systems. • Best modelling results are achieved with the Density Gradient Theory. - Abstract: The deployment of more efficient and economical extraction methods and processing facilities of oil and gas requires the accurate knowledge of the interfacial tension (IFT) of fluid phases in contact. In this work, the capillary constant a of binary mixtures containing n-decane and common gases such as carbon dioxide, methane and nitrogen was measured. Experimental measurements were carried at four temperatures (313, 343, 393 and 442 K) and pressures up to 69 MPa, or near the complete vaporisation of the organic phase into the gas-rich phase. To determine accurate IFT values, the capillary constants were combined with saturated phase density data measured with an Anton Paar densitometer and correlated with a model based on the Peng–Robinson 1978 equation of state (PR78 EoS). Correlated density showed an overall percentage absolute deviation (%AAD) to measured data of (0.2 to 0.5)% for the liquid phase and (1.5 to 2.5)% for the vapour phase of the studied systems and P–T conditions. The predictive capability of models to accurately describe both the temperature and pressure dependence of the saturated phase density and IFT of 16 (gas + n-alkane) binary mixtures was assessed in this work by comparison with data gathered from the literature and measured in this work. The IFT models considered include the Parachor, the Linear Gradient Theory (LGT) and the Density Gradient Theory (DGT) approaches combined with the Volume-Translated Predictive Peng–Robinson 1978 EoS (VT-PPR78 EoS). With no adjustable parameters, the VT-PPR78 EoS allowed a good description of both solubility and

Insights into Glycol Ether-Alkanol Mixtures from a Combined Experimental and Theoretical Approach.

Science.gov (United States)

Alcalde, Rafael; Gutiérrez, Alberto; Atilhan, Mert; Trenzado, José Luis; Aparicio, Santiago

2017-06-08

The binary liquid mixtures of glycol ethers (glymes) + 1-alkanol were characterized from the microscopic and macroscopic viewpoints through a combined experimental and theoretical study. Structuring, dynamics, and intermolecular forces were determined using density functional theory and classical molecular dynamics methods. The macroscopic behavior was studied though the measurement of relevant physicochemical properties and Raman IR studies. The changes in intermolecular forces with mixture composition, temperature, and the effects from the types of glymes as well as 1-alkanols were considered. Hydrogen bonding in the mixed fluids, its changes upon mixing, and mixture composition showed a large effect on fluids' structure and determined most of the fluids' properties together with the presence of hydrophobic domains from long 1-alkanols.

Osmotic and apparent molar properties of binary mixtures alcohol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate ionic liquid

International Nuclear Information System (INIS)

González, Emilio J.; Calvar, Noelia; Domínguez, Ángeles; Macedo, Eugénia A.

2013-01-01

Highlights: ► Osmotic and physical properties of binary mixtures {alcohol + [BMim][TfO]} were measured. ► From experimental data, apparent molar properties and osmotic coefficients were calculated. ► The apparent properties were fitted using a Redlich–Meyer type equation. ► The osmotic coefficients were correlated using the Extended Pitzer model. -- Abstract: In this work, physical properties (densities and speeds of sound) for the binary systems {1-propanol, or 2-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + 1-butyl-3-methylimidazolium trifluoromethanesulfonate} were experimentally measured from T = (293.15 to 323.15) K and at atmospheric pressure. These data were used to calculate the apparent molar volume and apparent molar isentropic compression which were fitted to a Redlich–Meyer type equation. This fit was used to obtain the corresponding apparent molar properties at infinite dilution. On the other hand, the osmotic and activity coefficients and vapor pressures of these binary mixtures were also determined at T = 323.15 K using the vapor pressure osmometry technique. The Extended Pitzer model of Archer was employed to correlate the experimental osmotic coefficients. From the parameters obtained in the correlation, the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated

Selective micellar electrokinetic chromatographic method for simultaneous determination of some pharmaceutical binary mixtures containing non-steroidal anti-inflammatory drugs

Directory of Open Access Journals (Sweden)

Michael E. El-Kommos

2013-02-01

Full Text Available A simple and selective micellar electrokinetic chromatographic (MEKC method has been developed for the analysis of five pharmaceutical binary mixtures containing three non-steroidal anti-inflammatory drugs (NSAIDs. The investigated mixtures were Ibuprofen (IP–Paracetamol (PC, Ibuprofen (IP–Chlorzoxazone (CZ, Ibuprofen (IP–Methocarbamol (MC, Ketoprofen (KP–Chlorzoxazone (CZ and Diclofenac sodium (DS–Lidocaine hydrochloride (LC. The separation was run for all mixtures using borate buffer (20 mM, pH 9 containing 15% (v/v methanol and 100 mM sodium dodecyl sulphate (SDS at 15 kV and the components were detected at 214 nm. Different factors affecting the electrophoretic mobility of the seven investigated drugs were studied and optimized. The method was validated according to international conference of harmonization (ICH guidelines and United States pharmacopoeia (USP. The method was applied to the analysis of five pharmaceutical binary mixtures in their dosage forms. The results were compared with other reported high performance liquid chromatographic methods and no significant differences were observed. Keywords: Capillary electrophoresis, Micellar electrokinetic chromatographic method, Non-steroidal anti-inflammatory drugs, Pharmaceutical binary mixtures, Pharmaceutical analysis

Refractive index and solubility control of para-cymene solutions for index-matched fluid-structure interaction studies

Science.gov (United States)

Fort, Charles; Fu, Christopher D.; Weichselbaum, Noah A.; Bardet, Philippe M.

2015-12-01

To deploy optical diagnostics such as particle image velocimetry or planar laser-induced fluorescence (PLIF) in complex geometries, it is beneficial to use index-matched facilities. A binary mixture of para-cymene and cinnamaldehyde provides a viable option for matching the refractive index of acrylic, a common material for scaled models and test sections. This fluid is particularly appropriate for large-scale facilities and when a low-density and low-viscosity fluid is sought, such as in fluid-structure interaction studies. This binary solution has relatively low kinematic viscosity and density; its use enables the experimentalist to select operating temperature and to increase fluorescence signal in PLIF experiments. Measurements of spectral and temperature dependence of refractive index, density, and kinematic viscosity are reported. The effect of the binary mixture on solubility control of Rhodamine 6G is also characterized.

Modeling adsorption of binary and ternary mixtures on microporous media

DEFF Research Database (Denmark)

Monsalvo, Matias Alfonso; Shapiro, Alexander

2007-01-01

it possible using the same equation of state to describe the thermodynamic properties of the segregated and the bulk phases. For comparison, we also used the ideal adsorbed solution theory (IAST) to describe adsorption equilibria. The main advantage of these two models is their capabilities to predict......The goal of this work is to analyze the adsorption of binary and ternary mixtures on the basis of the multicomponent potential theory of adsorption (MPTA). In the MPTA, the adsorbate is considered as a segregated mixture in the external potential field emitted by the solid adsorbent. This makes...... multicomponent adsorption equilibria on the basis of single-component adsorption data. We compare the MPTA and IAST models to a large set of experimental data, obtaining reasonable good agreement with experimental data and high degree of predictability. Some limitations of both models are also discussed....

Solubility determination and thermodynamic modelling of allisartan isoproxil in different binary solvent mixtures from T = (278.15 to 313.15) K and mixing properties of solutions

International Nuclear Information System (INIS)

Yang, Yaoyao; Yang, Peng; Du, Shichao; Li, Kangli; Zhao, Kaifei; Xu, Shijie; Hou, Baohong; Gong, Junbo

2016-01-01

Highlights: • The solubility of allisartan isoproxil in binary solvent mixtures were determined. • Apelblat, CNIBS/R-K and Jouyban-Acree models were used to correlate the solubility. • Solubility parameter theory was used to explain the co-solvency phenomenon. • Regular mixing rules were used to calculate solubility parameter of binary solvents. • The mixing thermodynamics were calculated and discussed based on NRTL model. - Abstract: In this work, the solubility of allisartan isoproxil in binary solvent mixtures, including (acetone + water), (acetonitrile + water) and (methanol + water), was determined by a gravimetric method with the temperature ranging from (278.15 to 313.15) K at atmospheric pressure (p = 0.1 MPa). The solubility of allisartan isoproxil in three binary solvent mixtures all increased with the rising of temperature at a constant solvent composition. For the binary solvent mixtures of (methanol + water), the solubility increased with the increasing of methanol fraction, while it appeared maximum value at a certain solvent composition in the other two binary solvent mixtures (acetone + water and acetonitrile + water). Based on the theory of solubility parameter, Fedors method and two mixing rules were employed to calculate the solubility parameters, by which the proximity of solubility parameters between allisartan isoproxil and binary solvent mixtures explained the co-solvent phenomenon. Additionally, the modified Apelblat equation, CNIBS/R-K model and Jouyban-Acree model were used to correlate the solubility data in binary solvent mixtures, and it turned out that all the three correlation models could give a satisfactory result. Furthermore, the mixing thermodynamic properties were calculated based on NRTL model, which indicated that the mixing process was spontaneous and exothermic.

An odor interaction model of binary odorant mixtures by a partial differential equation method.

Science.gov (United States)

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

2014-07-09

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.

A combined experimental and theoretical approach to the study of hydrogen bond interaction in the binary mixture of N-methylimidazole with water

International Nuclear Information System (INIS)

Huang, Rongyi; Du, Rongbin; Liu, Guangxiang; Zhao, Xiuqin; Ye, Shiyong; Wu, Genhua

2012-01-01

Highlights: ► Densities of N-methylimidazole with water binary mixture were measured. ► Excess molar volumes were fitted to Redlich–Kister polynomial equation. ► Excess molar volumes are negative in the whole mole fraction range. ► 1:1 Hydrogen complex formation between the unlike components was observed. ► Formation of hydrogen bonds in the binary mixture was confirmed by DFT//B3LYP. - Abstract: The intermolecular hydrogen bond interactions in the N-methylimidazole (MeIm) with water binary mixture have been studied by a combined experimental and theoretical approach. The densities of the binary mixture have been measured at T = (288.15 to 323.15) K and at atmospheric pressure. From the experimental data, excess molar volumes were determined as a function of composition at each temperature. The results reveal the formation of 1:1 hydrogen bond complex between MeIm with water at the maximal excess molar volume. Meanwhile, the formation of hydrogen bonds in the binary mixture was further confirmed by high level theoretical calculation. The structures, interactional energies and bond characteristics of the hydrogen bond complexes were calculated in the gas phase using density functional theory (DFT) at the B3LYP/6-311++G(d, p) theory levels. The changes of thermodynamic properties from the monomers to hydrogen bond complexes with the temperature ranging from (288.15 to 323.15) K were obtained using the statistical thermodynamic method. Thermodynamic analyses have been interpreted in terms of intermolecular interactions and excess molar volume changes in the binary mixture. It was also found that the formation reaction of the hydrogen bond complex of MeIm with water was an exothermic, entropy reduced and spontaneous thermodynamic process at all the temperature studied.

Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures

Energy Technology Data Exchange (ETDEWEB)

Dubey, Gyan Prakash, E-mail: gyan.dubey@rediffmail.com [Department of Chemistry, Kurukshetra University, Kurukshetra 136119 (India); Kumar, Krishan [Department of Chemistry, Kurukshetra University, Kurukshetra 136119 (India)

2011-09-20

Highlights: {yields} Thermodynamic study of diethylenetriamine + 2-methyl-1-propanol, +2-propanol or +1-butanol have been made. {yields} Excess molar volumes and isentropic compressibility were determined. {yields} Types of interactions were discussed based on derived properties. - Abstract: Densities, {rho}, viscosities, {eta}, and speeds of sound, u, were measured for the binary liquid mixtures containing diethylenetriamine with 2-methyl-1-propanol, 2-propanol and 1-butanol at 293.15, 298.15, 303.15, 308.15 and 313.15 K. From density and speed of sound data, excess molar volumes, V{sub m}{sup E} and deviations in isentropic compressibility, {Delta}{kappa}{sub s}, and speed of sound, {Delta}u have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow {Delta}G*{sup E} at 298.15, 303.15 and 308.15 K. A Redlich-Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg-Nissan, Tamura-Kurata, Heric-Brewer and of Hind et al. All the binary systems of the present study have negative values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which indicates strong interactions between the components of binary mixtures.

Thermodynamic properties of binary liquid mixtures of diethylenetriamine with alcohols at different temperatures

International Nuclear Information System (INIS)

Dubey, Gyan Prakash; Kumar, Krishan

2011-01-01

Highlights: → Thermodynamic study of diethylenetriamine + 2-methyl-1-propanol, +2-propanol or +1-butanol have been made. → Excess molar volumes and isentropic compressibility were determined. → Types of interactions were discussed based on derived properties. - Abstract: Densities, ρ, viscosities, η, and speeds of sound, u, were measured for the binary liquid mixtures containing diethylenetriamine with 2-methyl-1-propanol, 2-propanol and 1-butanol at 293.15, 298.15, 303.15, 308.15 and 313.15 K. From density and speed of sound data, excess molar volumes, V m E and deviations in isentropic compressibility, Δκ s , and speed of sound, Δu have been evaluated. Viscosity data were used to compute deviations in viscosity and excess Gibbs energy of activation of viscous flow ΔG* E at 298.15, 303.15 and 308.15 K. A Redlich-Kister type equation was applied to fit the excess molar volumes and deviations in isentropic compressibility, speed of sound and viscosity data. The viscosity data have been correlated with the equations of Grunberg-Nissan, Tamura-Kurata, Heric-Brewer and of Hind et al. All the binary systems of the present study have negative values of excess molar volumes and deviations in isentropic compressibility over whole composition range and at all temperatures which indicates strong interactions between the components of binary mixtures.

Dielectric studies on binary mixtures of Tri-n-butyl phosphate (TBP) and long-chain primary alcohols (modifiers)

International Nuclear Information System (INIS)

Dash, S.K.; Swain, B.B.

1993-01-01

Dielectric constant (ε) of Tri-n-butyl phosphate (TBP), in binary mixtures with five long-chain primary alcohols viz; 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol and 1-octanol has been measured at ν = 455 kHz and at temperature 302 K. The data is used to evaluate mutual correlation factor g ab , excess molar polarization ΔP and excess free energy of mixing ΔF ab by using Winkelmann-Quitzsch eqn. for binary mixtures to assess the suitability of the alcohols as modifiers. The trend of variation of these parameters exhibit marked dependence on chain-length of the alcohols indicating 1-heptanol to be an efficient modifier. (author)

Light scattering from a binary-liquid entanglement gel

Science.gov (United States)

Xia, K.-Q.; Maher, J. V.

1987-09-01

Light-scattering experiments have been carried out on an entanglement gel with a binary-liquid mixture as solvent. The onset temperature for critical opalescence has a composition dependence which is similar to the coexistence curve of the free-liquid mixture. This system resembles previously reported work on the cross-linked gel polyacrylamide in two ways: (1) As temperature is lowered toward the critical temperature of the free-liquid mixture, the binary-fluid gel exhibits a strong and increasing light scattering over a broad temperature region of several kelvins, and (2) no appreciable temporal fluctuations are observed throughout this temperature region. Two added features are observed in the present, entanglement-gel measurements: (a) Gel samples with solvent composition both near and off the critical composition of the free-liquid mixture exhibit similar light-scattering behavior, and (b) a Lorentzian-squared fit to the light-scattering angular distributions yields a characteristic wave number which does not change with temperature and an amplitude which shows a very strong dependence on the temperature.

Estimation of the minimum Prandtl number for binary gas mixtures formed with light helium and certain heavier gases: Application to thermoacoustic refrigerators

International Nuclear Information System (INIS)

Campo, Antonio; Papari, Mohammad M.; Abu-Nada, Eiyad

2011-01-01

This paper addresses a detailed procedure for the accurate estimation of low Prandtl numbers of selected binary gas mixtures. In this context, helium (He) is the light primary gas and the heavier secondary gases are nitrogen (N 2 ), oxygen (O 2 ), xenon (Xe), carbon dioxide (CO 2 ), methane (CH 4 ), tetrafluoromethane or carbon tetrafluoride (CF 4 ) and sulfur hexafluoride (SF 6 ). The three thermophysical properties forming the Prandtl number of binary gas mixtures Pr mix are heat capacity at constant pressure C p,mix (thermodynamic property), viscosity η mix (transport property) and thermal conductivity λ mix (transport property), which in general depend on temperature T and molar gas composition w. The precise formulas for the calculation of the trio C p,mix , η mix , and λ mix are gathered from various dependable sources. When the set of computed Pr mix values for the seven binary gas mixtures He + N 2 , He + O 2 , He + Xe, He + CO 2 , He + CH 4 , He + CF 4 , He + SF 6 at atmospheric conditions T = 300 K, p = 1 atm is plotted against the molar gas composition w on the w-domain [0,1], the family of Pr mix (w) curves exhibited distinctive concave shapes. In the curves format, all Pr mix (w) curves initiate with Pr ∼ 0.7 at w = 0 (associated with light primary He). Forthwith, each Pr mix (w) curve descends to a unique minimum and thereafter ascend back to Pr ∼ 0.7 at the terminal point w = 1 (connected to heavier secondary gases). Overall, it was found that among the seven binary gas mixtures tested, the He + Xe gas mixture delivered the absolute minimum Prandtl number Pr mix,min = 0.12 at the optimal molar gas composition w opt = 0.975. - Highlights: →Accurate estimation of low Prandtl numbers for some helium-based binary gas mixtures. →The thermophysical properties of the gases are calculated with precise formulas. →The absolute minimum Prandtl number is delivered by the He + Xe binary gas mixture. →Application to experimental thermoacoustic

Thermodynamic properties of (tetradecane + benzene, + toluene, + chlorobenzene, + bromobenzene, + anisole) binary mixtures at T = (298.15, 303.15, and 308.15) K

International Nuclear Information System (INIS)

Mutalik, Venkatesh; Manjeshwar, Lata S.; Sairam, Malladi; Aminabhavi, Tejraj M.

2006-01-01

Density ρ, viscosity η, and refractive index n D , values for (tetradecane + benzene, + toluene, + chlorobenzene, + bromobenzene, + anisole) binary mixtures over the entire range of mole fraction have been measured at temperatures (298.15, 303.15, and 308.15) K at atmospheric pressure. The speed of sound u has been measured at T = 298.15 K only. Using these data, excess molar volume V E , deviations in viscosity Δη, Lorentz-Lorenz molar refraction ΔR, speed of sound Δu, and isentropic compressibility Δk s have been calculated. These results have been fitted to the Redlich and Kister polynomial equation to estimate the binary interaction parameters and standard deviations. Excess molar volumes have exhibited both positive and negative trends in many mixtures, depending upon the nature of the second component of the mixture. For the (tetradecane + chlorobenzene) binary mixture, an incipient inversion has been observed. Calculated thermodynamic quantities have been discussed in terms of intermolecular interactions between mixing components

The Wertheim integral equation theory with the ideal chain approximation and a dimer equation of state: Generalization to mixtures of hard-sphere chain fluids

International Nuclear Information System (INIS)

Chang, J.; Sandler, S.I.

1995-01-01

We have extended the Wertheim integral equation theory to mixtures of hard spheres with two attraction sites in order to model homonuclear hard-sphere chain fluids, and then solved these equations with the polymer-Percus--Yevick closure and the ideal chain approximation to obtain the average intermolecular and overall radial distribution functions. We obtain explicit expressions for the contact values of these distribution functions and a set of one-dimensional integral equations from which the distribution functions can be calculated without iteration or numerical Fourier transformation. We compare the resulting predictions for the distribution functions with Monte Carlo simulation results we report here for five selected binary mixtures. It is found that the accuracy of the prediction of the structure is the best for dimer mixtures and declines with increasing chain length and chain-length asymmetry. For the equation of state, we have extended the dimer version of the thermodynamic perturbation theory to the hard-sphere chain mixture by introducing the dimer mixture as an intermediate reference system. The Helmholtz free energy of chain fluids is then expressed in terms of the free energy of the hard-sphere mixture and the contact values of the correlation functions of monomer and dimer mixtures. We compared with the simulation results, the resulting equation of state is found to be the most accurate among existing theories with a relative average error of 1.79% for 4-mer/8-mer mixtures, which is the worst case studied in this work. copyright 1995 American Institute of Physics

Flow of a non-Newtonian fluid through channels with permeable wall

Energy Technology Data Exchange (ETDEWEB)

Martins-Costa, Maria Laura [Universidade Federal Fluminense, Niteroi, RJ (Brazil). Dept. de Engenharia Mecanica. Lab. de Matematica Teorica e Aplicada]. E-mail: laura@mec.uff.br; Gama, Rogerio M. Saldanha da [Laboratorio Nacional de Computacao Cientifica (LNCC), Petropolis, RJ (Brazil)]. E-mail: rsgama@domain.com.br; Frey, Sergio [Rio Grande do Sul Univ., Porto Alegre, RS (Brazil). Dept. de Engenharia Mecanica. Grupo de Estudos Termicos e Energeticos

2000-07-01

In the present work the momentum transport in two adjacent flow regions is described by means of a continuum theory of mixtures, specially developed to model multiphase phenomena. A generalized Newtonian fluid flows through the permeable wall channel, originating a pure fluid region and a mixture region - where the fluid saturates the porous matrix. The fluid and the porous matrix are treated as continuous constituents of a binary mixture coexisting superposed, each of them occupying simultaneously the whole volume of the mixture. An Ostwald-de Waele behavior is assumed for both the fluid constituent (in the mixture region) and the fluid (in the so-called pure fluid region), while the porous matrix, represented by the solid constituent, is assumed rigid, homogeneous, isotropic and at rest. Compatibility conditions at the interface (pure fluid-mixture) for momentum transfer are proposed and discussed. Assuming no flow across the interface, the velocity should be zero on the solid parts of the boundary and should match the fluid diffusing velocity on the fluid parts of the boundary. Also the shear stress at the pure fluid region is to be balanced by a multiple of the partial shear stress at the mixture region. A minimum principle for the above-described problem, assuming fully developed flow in both regions, is presented, providing an easy and reliable way for carrying out numerical simulations. (author)

Thermophysical properties of binary mixtures of {ionic liquid 2-hydroxy ethylammonium acetate + (water, methanol, or ethanol)}

International Nuclear Information System (INIS)

Alvarez, Victor H.; Mattedi, Silvana; Martin-Pastor, Manuel; Aznar, Martin; Iglesias, Miguel

2011-01-01

Research highlights: → This paper reports the density and speed of sound data of binary mixtures {2-hydroxy ethylammonium acetate + (water, or methanol, or ethanol)} measured between the temperatures (298.15 and 313.15) K at atmospheric pressure. → The aggregation, dynamic behavior, and hydrogen-bond network were studied using thermo-acoustic, X-ray, and NMR techniques. → The Peng-Robinson equation of state, coupled with the Wong-Sandler mixing rule using the COSMO-SAC model predicted the density of the solutions with relative mean deviations below than 3.0%. - Abstract: In this work, density and speed of sound data of binary mixtures of an ionic liquid consisting of {2-hydroxy ethylammonium acetate (2-HEAA) + (water, methanol, or ethanol)} have been measured throughout the entire concentration range, from the temperature of (288.15 to 323.15) K at atmospheric pressure. The excess molar volumes, variations of the isentropic compressibility, the apparent molar volume, isentropic apparent molar compressibility, and thermal expansion coefficient were calculated from the experimental data. The excess molar volumes were negative throughout the whole composition range. Compressibility data in combination with low angle X-ray scattering and NMR measurements proved that the presence of micelles formed due to ion pair interaction above a critical concentration of the ionic liquid in the mixtures. The Peng-Robinson equation of state coupled with the Wong-Sandler mixing rule and COSMO-SAC model was used to predict densities and the calculated deviations were lower than 3%, for binary mixtures in all composition range.

High temperature solvent extraction of oil shale and bituminous coal using binary solvent mixtures

Energy Technology Data Exchange (ETDEWEB)

Goetz, G.K.E. [Lehrstuhl fuer Geologie, Geochemie und Lagerstaetten des Erdoels und der Kohle, RWTH Aachen (Germany)

1997-12-31

A high volatile bituminous coal from the Saar Basin and an oil shale from the Messel deposit, both Germany, were extracted with binary solvent mixtures using the Advanced Solvent Extraction method (ASE). Extraction temperature and pressure were kept at 100 C, respectively 150 C, and 20,7 MPa. After the heating phase (5 min) static extractions were performed with mixtures (v:v, 1:3) of methanol with toluene, respectively trichloromethane, for further 5 min. Extract yields were the same or on a higher level compared to those from classical soxhlet extractions (3 days) using the same solvents at 60 C. Comparing the results from ASE with those from supercritical fluid extraction (SFE) the extract yields were similar. Increasing the temperature in ASE releases more soluble organic matter from geological samples, because compounds with higher molecular weight and especially more polar substances were solubilized. But also an enhanced extraction efficiency resulted for aliphatic and aromatic hydrocarbons which are used as biomarkers in Organic Geochemistry. Application of thermochemolysis with tetraethylammonium hydroxide (TEAH) using pyrolysis-gas chromatography-mass spectrometry (Py-GC-MS) on the extraction residues shows clearly that at higher extraction temperatures minor amounts of free fatty acids or their methyl esters (original or produced by ASE) were trapped inside the pore systems of the oil shale or the bituminous coal. ASE offers a rapid and very efficient extraction method for geological samples reducing analysis time and costs for solvents. (orig.)

Configuration-specific kinetic theory applied to an ideal binary gas mixture.

Science.gov (United States)

Wiseman, Floyd L

2006-10-05

This paper is the second in a two-part series dealing with the configuration-specific analyses for molecular collision events of hard, spherical molecules at thermal equilibrium. The first paper analyzed a single-component system, and the reader is referred to it for the fundamental concepts. In this paper, the expressions for the configuration-specific collision frequencies and the average line-of-centers collision angles and speeds are derived for an ideal binary gas mixture. The analyses show that the average line-of-centers quantities are all dependent upon the ratio of the masses of the two components, but not upon molecular size. Of course, the configuration-specific collision frequencies do depend on molecular size. The expression for the overall binary collision frequency is a simple sum of the configuration-specific collision frequencies and is identical to the conventional expression.

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

Science.gov (United States)

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.

Environment effects on the optical properties of some fluorinated poly(oxadiazole ether)s in binary solvent mixtures

International Nuclear Information System (INIS)

Homocianu, Mihaela; Ipate, Alina Mirela; Hamciuc, Corneliu; Airinei, Anton

2015-01-01

The solvatochromic behavior of some fluorinated poly(oxadiazole ether)s was studied using UV–vis absorption and fluorescence spectroscopy in neat solvents and in their solvent mixtures at several ratios of cosolvents. Quantitative investigations of the spectral changes caused by solvent polarity were discussed using the Lippert‐Mataga, Bakhshiev and Kawski–Chamma–Viallet polarity functions. Repartitioning of cosolvent between local (solvation shell) and bulk phase was investigated by means of a solvatochromic shift method in chloroform–N,N-dimethylformamide (CHCl 3 /DMF) and chloroform–dimethyl sulfoxide (CHCl 3 /DMSO) solvent mixtures. Solvatochromic properties in the binary solvent environments were predominantly influenced by the acidity and basicity of the solvent systems. The fluorescence quenching process by nitrobenzene was characterized by Stern–Volmer plots which display a positive deviation from linearity. This was explained by static and dynamic quenching mechanisms. - Highlights: • Solvatochromic behavior in solvent mixtures was studied. • Stokes shift and local environments in binary mixed solvent were discussed. • Repartitioning of cosolvent between local and bulk phase in solvent mixture has been investigated. • Fluorescence intensity was quenched in presence of nitrobenzene

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

Science.gov (United States)

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

2010-09-07

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.

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

Energy Technology Data Exchange (ETDEWEB)

Koyama, Shigeru; Yu, Jian; Ishibashi, Akira

1999-07-01

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

Viscosity Prediction of Hydrocarbon Mixtures Based on the Friction Theory

DEFF Research Database (Denmark)

Zeberg-Mikkelsen, Claus Kjær; Cisneros, Sergio; Stenby, Erling Halfdan

2001-01-01

The application and capability of the friction theory (f-theory) for viscosity predictions of hydrocarbon fluids is further illustrated by predicting the viscosity of binary and ternary liquid mixtures composed of n-alkanes ranging from n-pentane to n-decane for wide ranges of temperature and from...

Thermodynamic study of binary mixture of x1[C6mim][BF4] + x21-propanol: Measurements and molecular modeling

International Nuclear Information System (INIS)

Kermanpour, F.; Sharifi, T.

2012-01-01

Highlights: ► Densities and viscosities for binary mixture of {x 1 [C 6 mim][BF 4 ] + x 2 1-propanol} were measured at different temperatures. ► The excess molar functions were calculated from the obtained experimental data. ► These data were correlated with the Redlich–Kister equation and PFP model to obtain the coefficients and standard deviations. - Abstract: Densities, ρ, and viscosities, η, of pure 1-hexyl-3-methylimidazoliumtetrafluoro borate ([C 6 mim][BF 4 ]) and 1-propanol, and their binary mixture {x 1 [C 6 mim][BF 4 ] + x 2 1-propanol} were measured at atmospheric pressure and in the temperature range of 293.15–333.15 K. The excess molar volumes, V m E , thermal expansion coefficients, α, and their excess values, α E , isothermal coefficient of excess molar enthalpy, (∂H m E /∂p) T,x and excess viscosities, η E , were calculated from the experimental values of densities and viscosities. The excess molar volumes of the binary mixture are negative over the entire mole fraction range and increase with increasing temperature. Excess viscosities are negative over the entire mole fraction range of the mixture and decrease with increasing temperature. The obtained excess molar volumes and excess viscosities were correlated with the Redlich–Kister equation. The experimental results have also been used to examine the applicability of Prigogine–Flory–Patterson (PFP) theory in predicting the excess molar volume of the binary mixture. It is indicated that agreement between excess molar volumes calculated via PFP theory and the experimental results is good in all temperatures.

Mixture of working fluids in ORC plants with pool boiler evaporator

International Nuclear Information System (INIS)

Rajabloo, Talieh; Iora, Paolo; Invernizzi, Costante

2016-01-01

Highlights: • We assess the feasibility of pool boiler in ORCs operating with mixture working fluids. • We consider hydrocarbon and siloxane mixtures for low and high temperature ORCs. • Plants with pool boiler show comparable performances to once through evaporator. - Abstract: Power generation using Organic Rankine Cycle was studied in this paper in case of both low and high temperature cycles, exploiting respectively a geothermal heat source available at 167 °C, and heat available at 300 °C from the combustion of biomass. In particular we assess the feasibility of employing mixture of working fluids, in the case of replacing the typical once-through (OT) evaporator with the pool boiler (PB) technology, typically adopted for pure fluids. The analysis evidenced that in general the OT evaporator shows a slightly improved cycle performance in comparison to the PB and it results in some cases advantageous with respect to the pure working fluid. For instance in case of low temperature cycle, the best thermodynamic performances are obtained with mixture of i-C_5 and 75% n-C_4 in case of OT evaporator, yielding a recovery efficiency higher than the case with pure i-C_5 (7.7 vs. 7.4%) given the relatively higher values of both the recovery factor and cycle efficiency. Implementation of PB did not affect the plant performance significantly which shows the feasibility of having PB with potentially easier control.

Heat transfer performance of a pulsating heat pipe charged with acetone-based mixtures

Science.gov (United States)

Wang, Wenqing; Cui, Xiaoyu; Zhu, Yue

2017-06-01

Pulsating heat pipes (PHPs) are used as high efficiency heat exchangers, and the selection of working fluids in PHPs has a great impact on the heat transfer performance. This study investigates the thermal resistance characteristics of the PHP charged with acetone-based binary mixtures, where deionized water, methanol and ethanol were added to and mixed with acetone, respectively. The volume mixing ratios were 2:1, 4:1 and 7:1, and the heating power ranged from 10 to 100 W with filling ratios of 45, 55, 62 and 70%. At a low filling ratio (45%), the zeotropic characteristics of the binary mixtures have an influence on the heat transfer performance of the PHP. Adding water, which has a substantially different boiling point compared with that of acetone, can significantly improve the anti-dry-out ability inside the PHP. At a medium filling ratio (55%), the heat transfer performance of the PHP is affected by both phase transition characteristics and physical properties of working fluids. At high heating power, the thermal resistance of the PHP with acetone-water mixture is between that with pure acetone and pure water, whereas the thermal resistance of the PHP with acetone-methanol and acetone-ethanol mixtures at mixing ratios of 2:1 and 4:1 is less than that with the corresponding pure fluids. At high filling ratios (62 and 70%), the heat transfer performance of the PHP is mainly determined by the properties of working fluids that affects the flow resistance. Thus, the PHP with acetone-methanol and acetone-ethanol mixtures that have a lower flow resistance shows better heat transfer performance than that with acetone-water mixture.

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

Science.gov (United States)

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.

Excess Volumes and Excess Isentropic Compressibilities of Binary Liquid Mixtures of Trichloroethylene with Esters at 303.15 K

Science.gov (United States)

Ramanaiah, S.; Rao, C. Narasimha; Nagaraja, P.; Venkateswarlu, P.

2015-11-01

Exces volumes, VE, and excess isentropic compressibilities, κSE, have been reported as a function of composition for binary liquid mixtures of trichloroethylene with ethyl acetate, n-propyl acetate, and n-butyl acetate at 303.15 K. Isentropic compressibilities are calculated using measured sound speeds and density data for pure components and for binary mixtures. Excess volumes and excess isentropic compressibilities are found to be negative for the three systems studied over the entire composition range at 303.15 K, whereas these values become more negative with an increase of carbon chain length. The results are discussed in terms of intermolecular interactions between unlike molecules.

Wetting and evaporation of binary mixture drops.

Science.gov (United States)

Sefiane, Khellil; David, Samuel; Shanahan, Martin E R

2008-09-11

Experimental results on the wetting behavior of water, methanol, and binary mixture sessile drops on a smooth, polymer-coated substrate are reported. The wetting behavior of evaporating water/methanol drops was also studied in a water-saturated environment. Drop parameters (contact angle, shape, and volume) were monitored in time. The effects of the initial relative concentrations on subsequent evaporation and wetting dynamics were investigated. Physical mechanisms responsible for the various types of wetting behavior during different stages are proposed and discussed. Competition between evaporation and hydrodynamic flow are evoked. Using an environment saturated with water vapor allowed further exploration of the controlling mechanisms and underlying processes. Wetting stages attributed to differential evaporation of methanol were identified. Methanol, the more volatile component, evaporates predominantly in the initial stage. The data, however, suggest that a small proportion of methanol remained in the drop after the first stage of evaporation. This residual methanol within the drop seems to influence subsequent wetting behavior strongly.

Volumetric properties under pressure for the binary system ethanol plus toluene

DEFF Research Database (Denmark)

Zeberg-Mikkelsen, Claus Kjær; Lugo, Luis; García, Josefa

2005-01-01

. The VLE behavior of this binary system within the considered temperature range is represented satisfactory by the perturbed-chain statistical association fluid theory (PC-SAFT) equation of state with a single interaction parameter, although no cross association between ethanol and toluene is taken...... into account. The densities of this binary system (pure compounds and mixtures) are satisfactory predicted by PC-SAFT with an overall AAD of 0.8%, but the behavior of the excess molar volume is not described correctly....

Experimental determination of (p, ρ, T) data for binary mixtures of methane and helium

International Nuclear Information System (INIS)

Hernández-Gómez, R.; Tuma, D.; Segovia, J.J.; Chamorro, C.R.

2016-01-01

Highlights: • Accurate density data for two binary mixtures of methane and helium are presented. • Experimental data are compared with the densities calculated from different EOS. • Deviations from GERG-2008 exceeded the 3% for some points. • Deviations from AGA8-DC92 did not exceed the 0.3% at any experimental point. • The relative deviations are clearly higher for GERG-2008 than for AGA8-DC92. - Abstract: The basis for the development and evaluation of equations of state for mixtures is experimental data for several thermodynamic properties. The quality and the availability of experimental data limit the achievable accuracy of the equation. Referring to the fundamentals of GERG-2008 wide-range equation of state, no suitable data were available for many mixtures containing secondary natural gas components. This work provides accurate experimental (p, ρ, T) data for two binary mixtures of methane with helium (0.95 (amount-of-substance fraction) CH_4 + 0.05 He and 0.90 CH_4 + 0.10 He). Density measurements were performed at temperatures between (250 and 400) K and pressures up to 20 MPa by using a single-sinker densimeter with magnetic suspension coupling. Experimental data were compared with the corresponding densities calculated from the GERG-2008 and the AGA8-DC92 equations of state. Deviations from GERG-2008 were found within a 2% band for the (0.95 CH_4 + 0.05 He) mixture but exceeded the 3% limit for the (0.95 CH_4 + 0.05 He) mixture. The highest deviations were observed at T = 250 K and pressures between (17 and 19) MPa. Values calculated from AGA8-DC92, however, deviated from the experimental data by only 0.1% at high pressures and exceeded the 0.2% limit only at temperatures of 300 K and above, for the (0.90 CH_4 + 0.10 He) mixture.

Binary blend of carbon dioxide and fluoro ethane as working fluid in transcritical heat pump systems

Directory of Open Access Journals (Sweden)

Zhang Xian-Ping

2015-01-01

Full Text Available As an eco-friendly working fluid, carbon dioxide or R744 is expected to substitute for the existing working fluids used in heat pump systems. It is, however, challenged by the much higher heat rejection pressure in transcritical cycle compared with the traditional subcritical cycle using freons. There exists a worldwide tendency to utilize blend refrigerants as alternatives. Therefore, a new binary blend R744/R161 in this research is proposed in order to decrease the heat rejection pressure. Meanwhile, on mixing R744 with R161, the flammability and explosivity of R161 can be suppressed because of the extinguishing effect of R744. A transcritical thermodynamic model is developed, and then the system performances of heat pump using R744/R161 blend are investigated and compared with those of pure R744 system under the same operation conditions. The variations of heat rejection pressure, heating coefficient of performance, unit volumetric heating capacity, discharge temperature of compressor and the mass fraction of R744/R161 are researched. The results show that R744/R161 mixture can reduce the heat rejection pressure of transcritical heat pump system.

Power cycles with ammonia-water mixtures as working fluid

Energy Technology Data Exchange (ETDEWEB)

Thorin, Eva

2000-05-01

It is of great interest to improve the efficiency of power generating processes, i.e. to convert more of the energy in the heat source to power. This is favorable from an environmental point of view and can also be an economic advantage. To use an ammonia-water mixture instead of water as working fluid is a possible way to improve the efficiency of steam turbine processes. This thesis includes studies of power cycles with ammonia-water mixtures as working fluid utilizing different kinds of heat sources for power and heat generation. The thermophysical properties of the mixture are also studied. They play an important role in the calculations of the process performance and for the design of its components, such as heat exchangers. The studies concern thermodynamic simulations of processes in applications suitable for Swedish conditions. Available correlations for the thermophysical properties are compared and their influence on simulations and heat exchanger area predictions is investigated. Measurements of ammonia-water mixture viscosities using a vibrating wire viscometer are also described. The studies performed show that power cycles with ammonia-water mixtures as the working fluid are well suited for utilization of waste heat from industry and from gas engines. The ammonia-water power cycles can give up to 32 % more power in the industrial waste heat application and up to 54 % more power in the gas engine bottoming cycle application compared to a conventional Rankine steam cycle. However, ammonia-water power cycles in small direct-fired biomass-fueled cogeneration plants do not show better performance than a conventional Rankine steam cycle. When different correlations for the thermodynamic properties are used in simulations of a simple ammonia-water power cycle the difference in efficiency is not larger than 4 %, corresponding to about 1.3 percentage points. The differences in saturation properties between the correlations are, however, considerable at high

Viscous slip coefficients for binary gas mixtures measured from mass flow rates through a single microtube

Science.gov (United States)

Yamaguchi, H.; Takamori, K.; Perrier, P.; Graur, I.; Matsuda, Y.; Niimi, T.

2016-09-01

The viscous slip coefficient for helium-argon binary gas mixture is extracted from the experimental values of the mass flow rate through a microtube. The mass flow rate is measured by the constant-volume method. The viscous slip coefficient was obtained by identifying the measured mass flow rate through a microtube with the corresponding analytical expression, which is a function of the Knudsen number. The measurements were carried out in the slip flow regime where the first-order slip boundary condition can be applied. The measured viscous slip coefficients of binary gas mixtures exhibit a concave function of the molar ratio of the mixture, showing a similar profile with numerical results. However, from the detailed comparison between the measured and numerical values with the complete and incomplete accommodation at a surface, it is inappropriate to estimate the viscous slip coefficient for the mixture numerically by employing separately measured tangential momentum accommodation coefficient for each component. The time variation of the molar ratio in the downstream chamber was measured by sampling the gas from the chamber using the quadrupole mass spectrometer. In our measurements, it is indicated that the volume flow rate of argon is larger than that of helium because of the difference in the tangential momentum accommodation coefficient.

Application of wavelet and Fuorier transforms as powerful alternatives for derivative spectrophotometry in analysis of binary mixtures: A comparative study

Science.gov (United States)

Hassan, Said A.; Abdel-Gawad, Sherif A.

2018-02-01

Two signal processing methods, namely, Continuous Wavelet Transform (CWT) and the second was Discrete Fourier Transform (DFT) were introduced as alternatives to the classical Derivative Spectrophotometry (DS) in analysis of binary mixtures. To show the advantages of these methods, a comparative study was performed on a binary mixture of Naltrexone (NTX) and Bupropion (BUP). The methods were compared by analyzing laboratory prepared mixtures of the two drugs. By comparing performance of the three methods, it was proved that CWT and DFT methods are more efficient and advantageous in analysis of mixtures with overlapped spectra than DS. The three signal processing methods were adopted for the quantification of NTX and BUP in pure and tablet forms. The adopted methods were validated according to the ICH guideline where accuracy, precision and specificity were found to be within appropriate limits.

Investigating the Effect of the Binary Mixtures Composition of Noble Gases on Their Thermodynamic and Transport Properties

Directory of Open Access Journals (Sweden)

S. A. Burtsev

2015-01-01

Full Text Available The paper presents possible application fields of the binary noble gas mixtures with low Prandtl numbers. It shows that it is expedient to select these mixtures as the working fluids for closed Brayton cycle gas-turbine installations, thermo-acoustic engines and for the gas dynamic energy separation device (Leontiev tube. As follows from the analysis, He-Ar, He-Kr, and HeXe mixtures have proven to be the most attractive choice. The paper has analyzed the calculation results for coefficient of dynamic viscosity, coefficient of thermal conductivity, and for heat capacity at constant pressure for the given mixtures in terms of mixture molecular weights at pressures of 2MPa and 7MPa and temperatures of 400 and 1200°K. According to data of experiments and calculations available in public sources published by another authors, the results are verified. It was found that at constant pressure within the examined range of parameters (i.e. pressure, temperature, mixture molecular weight the obtained heat capacity values are in good agreement with the values of the verification data. In calculating dynamic viscosity coefficient for any pressure and temperature the utilized technique provides results for He-Ar and He-Kr mixtures within the entire range of the molecular weights, which are, essentially, as good as shown by international verification techniques. However, at high pressures and low temperatures for He-Xe mixture with molecular weights close to the pure Xe the divergence was found to be as high as 25 % while for other parameter intervals under consideration and with the same mixture the difference does not exceed 10 %. A good agreement with the verification data is observed for the values of a thermal conductivity coefficient of He-Ar and He-Kr mixtures for any value of parameters, while for He-Xe mixture with molecular weights close to 60 g/mole independently of pressure the divergence can reach 30 % for 1200°K and 20 % for 400°K. It is shown

Viscosity of binary mixtures of 1-ethyl-3-methylimidazolium tetrafluoroborate ionic liquid with four organic solvents

International Nuclear Information System (INIS)

Ciocirlan, Oana; Croitoru, Oana; Iulian, Olga

2016-01-01

Highlights: • Viscosities of four binary mixtures of [Emim][BF4] with organic solvents. • Viscosity models based on Eyring’s theory. • Excess functions calculated. • Data for binaries new in the literature, except for system with DMSO. - Abstract: This paper reports experimental values of dynamic viscosity for four binary systems of 1-ethyl-3-methylimidazolium tetrafluoroborate, [Emim][BF4], with dimethyl sulfoxide (DMSO), acetonitrile (ACN), ethylene glycol (EG) and 1,4-dioxane over the temperature ranges from 293.15 K to 353.15 K at p = 0.1 MPa. All binary mixtures were completely miscible over the entire range of mole fraction, except the system with 1,4-dioxane. The viscosity results have been correlated by the one parameter Grunberg–Nissan and Fang and He equations and the two-parameter McAllister, Eyring-UNIQUAC, Eyring-NRTL and Eyring-Wilson models and the results were compared. Additionally, the viscosity deviations, Δη, and the excess Gibbs energy of activation for viscous flow, G"∗"E, were calculated and fitted to the Redlich–Kister equation. The results show that all Δη values are negative over the whole composition range and the G"∗"E values are positive, except for the system with EG. The results of the excess functions are discussed in terms of molecular interactions.

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

Science.gov (United States)

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

2015-12-05

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. Copyright © 2015 Elsevier B.V. All rights reserved.

Dynamic depletion attraction between colloids suspended in a phase-separating binary liquid mixture

International Nuclear Information System (INIS)

Araki, Takeaki; Tanaka, Hajime

2008-01-01

Understanding interactions between colloids (or nanoparticles) immersed in a phase-separating binary mixture is of both fundamental and technological importance. Here we report a novel type of interparticle attractive interaction of a purely dynamic origin, which is found by a coarse-grained numerical simulation. Due to surface wetting effects, there are strong diffusion fluxes towards particles just after the initiation of phase separation of the matrix binary liquid mixture. The flux in the region between particles soon becomes weaker than that in the other regions since the depletion zones formed around particles overlap selectively between the particles. The resulting imbalance of the diffusion flux induces interparticle attractive interactions, i.e., the osmotic force pushes particles closer. We confirm that this wetting-induced 'dynamic' depletion force can be stronger than a van der Waals force and a capillary force that is induced by the interfacial tension, and thus plays a dominant role in the early stage of particle aggregation. We note that this novel interaction originating from the momentum conservation law may be generic to particles acting as diffusional sinks or sources. (fast track communication)

High Temperature Heat Pump Integration using Zeotropic Working Fluids for Spray Drying Facilities

DEFF Research Database (Denmark)

Zühlsdorf, Benjamin; Bühler, Fabian; Mancini, Roberta

2017-01-01

source and sink best possibly. Therefore, a set of six common working fluids is defined and the possible binary mixtures of these fluids are analyzed. The performance of the fluids is evaluated based on the energetic performance (COP) and the economic potential (NPV). The results show...... and show a large potential to reuse the excess heat from exhaust gases. This study analyses a heat pump application with an improved integration by choosing the working fluid as a mixture in such a way, that the temperature glide during evaporation and condensation matches the temperature glide of the heat...

Toxicity of a binary mixture on Daphnia magna: biological effects of uranium and selenium isolated and in mixture

International Nuclear Information System (INIS)

Zeman, F.

2008-10-01

Among the multiple substances that affect freshwater ecosystems, uranium and selenium are two pollutants found worldwide in the environment, alone and in mixture. The aim of this thesis work was to investigate the effect of uranium and selenium mixture on daphnia (Daphnia magna). Studying effects of a mixture requires the assessment of the effect of single substances. Thus, the first experiments were performed on single substance. Acute toxicity data were obtained: EC 50 48h = 0, 39±0, 04 mg.L -1 for uranium and EC 50 48h 1, 86±0, 85 mg.L -1 for selenium. Chronic effects were also studied. Data on fecundity showed an EC 10 reproduction of 14±7 μg. L -1 for uranium and of 215±25 μg. L -1 for selenium. Uranium-selenium mixture toxicity experiments were performed and revealed an antagonistic effect. This study further demonstrates the importance of taking into consideration different elements in binary mixture studies such as the choice of reference models (concentration addition or independent action), statistical method, time exposure and endpoints. Using integrated parameters like energy budget was shown to be an interesting way to better understand interactions. An approach including calculation of chemical speciation in the medium and bioaccumulation measurements in the organism permits assumptions to be made on the nature of possible interactions between mixture components (toxico-dynamic et toxico-kinetic interactions). (author)

Growth kinetics in multicomponent fluids

International Nuclear Information System (INIS)

Chen, S.; Lookman, T.

1995-01-01

The hydrodynamic effects on the late-stage kinetics in spinodal decomposition of multicomponent fluids are examined using a lattice Boltzmann scheme with stochastic fluctuations in the fluid and at the interface. In two dimensions, the three- and four-component immiscible fluid mixture (with a 1024 2 lattice) behaves like an off-critical binary fluid with an estimated domain growth of t 0.4 +/= 0.03 rather than t 1/3 as previously estimated, showing the significant influence of hydrodynamics. In three dimensions (with a 256 3 lattice), we estimate the growth as t 0.96 +/= 0.05 for both critical and off-critical quenches, in agreement with phenomenological theory

Acoustic, volumetric and osmotic properties of binary mixtures containing the ionic liquid 1-butyl-3-methylimidazolium dicyanamide mixed with primary and secondary alcohols

International Nuclear Information System (INIS)

Calvar, Noelia; González, Emilio J.; Domínguez, Ángeles; Macedo, Eugénia A.

2012-01-01

Highlights: ► Physical and osmotic properties of binary mixtures {alcohol + [BMim][dca]} were measured. ► From experimental data, apparent molar properties and osmotic coefficients were calculated. ► The apparent properties were fitted using a Redlich–Meyer type equation. ► The osmotic coefficients were correlated using the Extended Pitzer and the MNRTL models. - Abstract: In this paper, densities and speeds of sound for five binary systems {alcohol + 1-butyl-3-methylimidazolium dicyanamide} were measured from T = (293.15 to 323.15) K and atmospheric pressure. From these experimental data, apparent molar volume and apparent molar isentropic compression have been calculated and fitted to a Redlich–Meyer type equation. This fit was also used to calculate the apparent molar volume and apparent molar isentropic compression at infinite dilution for the studied binary mixtures. Moreover, the osmotic and activity coefficients and vapor pressures of these binary mixtures were also determined at T = 323.15 K using the vapor pressure osmometry technique. The experimental osmotic coefficients were correlated using the Extended Pitzer model of Archer. The mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated from the parameters obtained in the correlation.

Excess Molar Volume of Binary Mixtures of Methylheptenone+Alkanols at 298.15 K

Institute of Scientific and Technical Information of China (English)

无

2002-01-01

Excess molar volume(VE) data on binary liquid mixtures of methylheptenone (MHO) with methanol, ethanol, n-propanol or n-butanol have been determined from the density measurements at 298.15 K and atmospheric pressure. The values of VE in all the systems over the entire composition range are quantified by the Redlich-Kister equation. The effects of the chain length of alkanols on VE are discussed.

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

Science.gov (United States)

Finotello, Alexia; Bara, Jason E; Narayan, Suguna; Camper, Dean; Noble, Richard D

2008-02-28

This study focuses on the solubility behaviors of CO2, CH4, and N2 gases in binary mixtures of imidazolium-based room-temperature ionic liquids (RTILs) using 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([C2mim][Tf2N]) and 1-ethyl-3-methylimidazolium tetrafluoroborate ([C2mim][BF4]) at 40 degrees C and low pressures (approximately 1 atm). The mixtures tested were 0, 25, 50, 75, 90, 95, and 100 mol % [C2mim][BF4] in [C2mim][Tf2N]. 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 CO2 with N2 or CH4 in pure [C2mim][BF4] can be enhanced by adding 5 mol % [C2mim][Tf2N].

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

Energy Technology Data Exchange (ETDEWEB)

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

1990-03-01

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

Study of decolorisation of binary dye mixture by response surface methodology.

Science.gov (United States)

Khamparia, Shraddha; Jaspal, Dipika

2017-10-01

Decolorisation of a complex mixture of two different classes of textile dyes Direct Red 81 (DR81) and Rhodamine B (RHB), simulating one of the most important condition in real textile effluent was investigated onto deoiled Argemone Mexicana seeds (A. Mexicana). The adsorption behaviour of DR81 and RHB dyes was simultaneously analyzed in the mixture using derivative spectrophotometric method. Central composite design (CCD) was employed for designing the experiments for this complex binary mixture where significance of important parameters and possible interactions were analyzed by response surface methodology (RSM). Maximum adsorption of DR81 and RHB by A. Mexicana was obtained at 53 °C after 63.33 min with 0.1 g of adsorbent and 8 × 10 -6  M DR81, 12 × 10 -6  M RHB with composite desirability of 0.99. The predicted values for percentage removal of dyes from the mixture were in good agreement with the experimental values with R 2 > 96% for both the dyes. CCD superimposed RSM confirmed that presence of different dyes in a solution created a competition for the adsorbent sites and hence interaction of dyes was one of the most important factor to be studied to simulate the real effluent. The adsorbent showed remarkable adsorption capacities for both the dyes in the mixture. Copyright © 2017 Elsevier Ltd. All rights reserved.

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

Science.gov (United States)

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. Crown Copyright © 2014. Published by Elsevier Ltd. All rights reserved.

Statistical mechanics of homogeneous partly pinned fluid systems.

Science.gov (United States)

Krakoviack, Vincent

2010-12-01

The homogeneous partly pinned fluid systems are simple models of a fluid confined in a disordered porous matrix obtained by arresting randomly chosen particles in a one-component bulk fluid or one of the two components of a binary mixture. In this paper, their configurational properties are investigated. It is shown that a peculiar complementarity exists between the mobile and immobile phases, which originates from the fact that the solid is prepared in presence of and in equilibrium with the adsorbed fluid. Simple identities follow, which connect different types of configurational averages, either relative to the fluid-matrix system or to the bulk fluid from which it is prepared. Crucial simplifications result for the computation of important structural quantities, both in computer simulations and in theoretical approaches. Finally, possible applications of the model in the field of dynamics in confinement or in strongly asymmetric mixtures are suggested.

Study of the Transformations of Micro/Nano-crystalline Acetaminophen Polymorphs in Drug-Polymer Binary Mixtures.

Science.gov (United States)

Maniruzzaman, Mohammed; Lam, Matthew; Molina, Carlos; Nokhodchi, Ali

2017-07-01

This study elucidates the physical properties of sono-crystallised micro/nano-sized acetaminophen/paracetamol (PMOL) and monitors its possible transformation from polymorphic form I (monoclinic) to form II (orthorhombic). Hydrophilic Plasdone® S630 copovidone (S630), N-vinyl-2-pyrrolidone and vinyl acetate copolymer, and methacrylate-based cationic copolymer, Eudragit® EPO (EPO), were used as polymeric carriers to prepare drug/polymer binary mixtures. Commercially available PMOL was crystallised under ultra sound sonication to produce micro/nano-sized (0.2-10 microns) crystals in monoclinic form. Homogeneous binary blends of drug-polymer mixtures at various drug concentrations were obtained via a thorough mixing. The analysis conducted via the single X-ray crystallography determined the detailed structure of the crystallised PMOL in its monoclinic form. The solid state and the morphology analyses of the PMOL in the binary blends evaluated via differential scanning calorimetry (DSC), modulated temperature DSC (MTDSC), scanning electron microscopy (SEM) and hot stage microscopy (HSM) revealed the crystalline existence of the drug within the amorphous polymeric matrices. The application of temperature controlled X-ray diffraction (VTXRPD) to study the polymorphism of PMOL showed that the most stable form I (monoclinic) was altered to its less stable form II (orthorhombic) at high temperature (>112°C) in the binary blends regardless of the drug amount. Thus, VTXRD was used as a useful tool to monitor polymorphic transformations of crystalline drug (e.g. PMOL) to assess their thermal stability in terms of pharmaceutical product development and research.

Thermo-Economic Evaluation of Organic Rankine Cycles for Geothermal Power Generation Using Zeotropic Mixtures

Directory of Open Access Journals (Sweden)

Florian Heberle

2015-03-01

Full Text Available We present a thermo-economic evaluation of binary power plants based on the Organic Rankine Cycle (ORC for geothermal power generation. The focus of this study is to analyse if an efficiency increase by using zeotropic mixtures as working fluid overcompensates additional requirements regarding the major power plant components. The optimization approach is compared to systems with pure media. Based on process simulations, heat exchange equipment is designed and cost estimations are performed. For heat source temperatures between 100 and 180 °C selected zeotropic mixtures lead to an increase in second law efficiency of up to 20.6% compared to pure fluids. Especially for temperatures about 160 °C, mixtures like propane/isobutane, isobutane/isopentane, or R227ea/R245fa show lower electricity generation costs compared to the most efficient pure fluid. In case of a geothermal fluid temperature of 120 °C, R227ea and propane/isobutane are cost-efficient working fluids. The uncertainties regarding fluid properties of zeotropic mixtures, mainly affect the heat exchange surface. However, the influence on the determined economic parameter is marginal. In general, zeotropic mixtures are a promising approach to improve the economics of geothermal ORC systems. Additionally, the use of mixtures increases the spectrum of potential working fluids, which is important in context of present and future legal requirements considering fluorinated refrigerants.

ANALYSIS OF THE KINETICS OF SOLVOLYSIS OF P-NITROPHENYLSULFONYLMETHYL PERCHLORATE IN BINARY ALCOHOLIC MIXTURES IN TERMS OF THE THERMODYNAMIC PROPERTIES OF THE SOLVENT MIXTURES

NARCIS (Netherlands)

Wijnen, J W; Engberts, J B F N; Blandamer, Michael J

Rate constants are reported for the solvolysis of p-nitrophenylsulfonylmethyl perchlorate in binary ethanolic and methanolic mixtures at 298.2 K. Co-solvents include hydrocarbons, chlorinated hydrocarbons and 1,4-dioxane. The kinetic data are examined in terms of the effect of decreasing mole

Physicochemical analysis and nonisothermal kinetic study of sertraline–lactose binary mixtures

Directory of Open Access Journals (Sweden)

Faranak Ghaderi

2017-07-01

Full Text Available In the present study the physicochemical stability of sertraline with lactose was evaluated in drug-excipient binary mixtures. Different physicochemical methods such as differential scanning calorimetry (DSC, Fourier-transform infrared spectroscopy, and mass spectrometry were applied to confirm the incompatibility. The final aim of this study was to evaluate the kinetic parameters using a fast and sensitive DSC method. Solid-state kinetic parameters were derived from nonisothermally stressed physical mixtures using different thermal models such as Friedman, Flynn–Wall–Ozawa, and Kissinger–Akahira–Sunose. Overall, the instability of sertraline with lactose was successfully evaluated. Further confirmation was made by tracking the Maillard reaction product of sertraline and lactose by mass spectrometry. DSC scans provided important information about the stability of sertraline in solid-state condition and also revealed the related thermokinetic parameters in order to understand the nature of the chemical instability.

Physicochemical analysis and nonisothermal kinetic study of sertraline-lactose binary mixtures.

Science.gov (United States)

Ghaderi, Faranak; Nemati, Mahboob; Siahi-Shadbad, Mohammad Reza; Valizadeh, Hadi; Monajjemzadeh, Farnaz

2017-07-01

In the present study the physicochemical stability of sertraline with lactose was evaluated in drug-excipient binary mixtures. Different physicochemical methods such as differential scanning calorimetry (DSC), Fourier-transform infrared spectroscopy, and mass spectrometry were applied to confirm the incompatibility. The final aim of this study was to evaluate the kinetic parameters using a fast and sensitive DSC method. Solid-state kinetic parameters were derived from nonisothermally stressed physical mixtures using different thermal models such as Friedman, Flynn-Wall-Ozawa, and Kissinger-Akahira-Sunose. Overall, the instability of sertraline with lactose was successfully evaluated. Further confirmation was made by tracking the Maillard reaction product of sertraline and lactose by mass spectrometry. DSC scans provided important information about the stability of sertraline in solid-state condition and also revealed the related thermokinetic parameters in order to understand the nature of the chemical instability. Copyright © 2016. Published by Elsevier B.V.

An EQT-based cDFT approach for a confined Lennard-Jones fluid mixture

Energy Technology Data Exchange (ETDEWEB)

Motevaselian, M. H.; Mashayak, S. Y.; Aluru, N. R., E-mail: aluru@illinois.edu [Department of Mechanical Science and Engineering, Beckman Institute for Advanced Science and Technology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801 (United States)

2015-09-28

Empirical potential-based quasi-continuum theory (EQT) provides a route to incorporate atomistic detail into continuum framework such as the Nernst-Planck equation. EQT can also be used to construct a grand potential functional for classical density functional theory (cDFT). The combination of EQT and cDFT provides a simple and fast approach to predict the inhomogeneous density, potential profiles, and thermodynamic properties of confined fluids. We extend the EQT-cDFT approach to confined fluid mixtures and demonstrate it by simulating a mixture of methane and hydrogen inside slit-like channels of graphene. We show that the EQT-cDFT predictions for the structure of the confined fluid mixture compare well with the molecular dynamics simulation results. In addition, our results show that graphene slit nanopores exhibit a selective adsorption of methane over hydrogen.

Effect of temperature and composition on the surface tension and surface properties of binary mixtures containing DMSO and short chain alcohols

International Nuclear Information System (INIS)

Bagheri, Ahmad; Fazli, Mostafa; Bakhshaei, Malihe

2016-01-01

Highlights: • Surface tension of DMSO + alcohol (methanol, ethanol and isopropanol) at various temperatures was measured. • The surface tension data of binary mixtures were correlated with four equations. • Intermolecular interaction of DMSO with alcohol was discussed. • The surface mole fraction of alcohol increase with increasing the length of alcohol chain. - Abstract: Surface tension of binary mixtures of methanol, ethanol and isopropanol with DMSO (dimethyl sulfoxide) was measured over the whole range of composition at atmospheric pressure of 82.5 kPa within the temperatures between (298.15 and 328.15) K. The experimental measurements were used to calculate in surface tension deviations (Δσ). The sign of Δσ for all temperatures is negative (except of methanol/DMSO system) because of the factors of hydrogen bonding and dipole–dipole interactions in the DMSO-alcohol systems. Surface tension values of the binary systems were correlated with FLW, MS, RK and LWW models. The mean standard deviation obtained from the comparison of experimental and calculated surface tension values for binary systems with three models (FLW, MS and RK) at various temperatures is less than 0.83. Also, the results of the LWW model were used to account for the interaction energy between alcohols and DMSO in binary mixtures. The temperature dependence of σ (surface tension) at fixed composition of solutions was used to estimate surface enthalpy, H s , and surface entropy, S s . The results obtained show that the values of the thermodynamic parameters for alcohol/DMSO mixtures decrease with increasing alkyl chain length of alcohol. Finally, the results are discussed in terms of surface mole fraction and lyophobicity using the extended Langmuir (EL) isotherm.

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

Science.gov (United States)

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 ...

Excess molar volumes and dynamic viscosities for binary mixtures of toluene + n-alkanes (C5-C10) at T = 298.15 K - Comparison with Prigogine-Flory-Patterson theory

International Nuclear Information System (INIS)

Iloukhani, Hossein; Rezaei-Sameti, Mahdi; Basiri-Parsa, Jalal

2006-01-01

Densities ρ, dynamic viscosities η, for binary mixtures of toluene with some n-alkanes, namely, n-pentane, n-hexane, n-heptane, n-octane, n-nonane, and n-decane have been measured over the complete composition range. Excess molar volumes V E , viscosity deviations Δη, and excess Gibbs free energy of activation ΔG * E , were calculated there from and were correlated by Redlich-Kister type function in terms of mole fractions. For mixtures of toluene with n-pentane and n-hexane the V E is negative and for the remaining systems is positive. The Δη values are negative for all the studied mixtures. The ΔG * E values shows the positive values for the binary mixtures with n-decane, whereas the negative values have been observed for all the remaining binary mixtures. From the results, the excess thermal expansivities at constant pressure α E , is also estimated. The Prigogine-Flory-Patterson (PFP) theory and its applicability in predicting V E is tested. The results obtained for viscosity of binary mixtures were used to test the semi-empirical relations of Grunberg and Nissan, Tamura and Kurata, Hind et al., Katti and Chaudhri, McAllister, Heric, Kendall, and Monroe. The experimental on the constituted binaries are analyzed to discus the nature and strength of intermolecular interactions in these mixtures

Eutectic behaviour of binary mixtures composed of two isomeric lactic acid derivatives

Czech Academy of Sciences Publication Activity Database

Bubnov, Alexej; Podoliak, Natalia; Hamplová, Věra; Tomášková, Petra; Havlíček, Jaroslav; Kašpar, Miroslav

2016-01-01

Roč. 495, č. 1 (2016), s. 105-115 ISSN 0015-0193 R&D Projects: GA ČR GA16-12150S; GA MŠk(CZ) LH15305; GA MŠk(CZ) LD14007; GA ČR GA15-02843S Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : ferroelectric smectic phase * binary mixture * lactic acid derivative * isomer * phase diagram * self-assembling behaviour Subject RIV: JJ - Other Materials Impact factor: 0.551, year: 2016

The structure of n-alkane binary mixtures adsorbed on graphite

International Nuclear Information System (INIS)

Espeau, Philippe; White, John W.; Papoular, Robert J.

2005-01-01

The thermodynamics and structure of the surface adsorbed phase in binary C15-C16 and C15-C17 n-alkane mixtures confined in graphite pores have been studied by differential scanning calorimetry and small-angle X-ray scattering. The previously observed selective adsorption of the longer alkane for chain length differences greater than five carbon atoms is verified but reduced for chain length differences less than or equal to two. With a difference in chain length of one carbon atom, Vegard's law is followed for the melting points of the adsorbed mixture and the (0 2) d-spacing is a continuous function of the mole fraction x. With a two-carbon atom difference, samples aged for 1 week have a lamellar structure for which the entities A 1-x B x try to be commensurate with the substrate. The same samples aged for 1 month show a continuous parabolic x-dependence for both the melting points and the d-spacings. An explanation in terms of selective probability of adsorption is proposed based on crystallographic considerations

The structure of n-alkane binary mixtures adsorbed on graphite

Energy Technology Data Exchange (ETDEWEB)

Espeau, Philippe [Laboratoire de Chimie Physique et Minerale, Faculte de Pharmacie, Universite Rene Descartes-Paris V, F-75006 Paris (France)]. E-mail: philippe.espeau@univ-paris5.fr; White, John W. [Research School of Chemistry, Australian National University, Canberra, ACT 0200 (Australia); Papoular, Robert J. [Laboratoire Leon Brillouin, CEA-CEN Saclay, F-91191 Gif-sur-Yvette Cedex (France)

2005-12-15

The thermodynamics and structure of the surface adsorbed phase in binary C15-C16 and C15-C17 n-alkane mixtures confined in graphite pores have been studied by differential scanning calorimetry and small-angle X-ray scattering. The previously observed selective adsorption of the longer alkane for chain length differences greater than five carbon atoms is verified but reduced for chain length differences less than or equal to two. With a difference in chain length of one carbon atom, Vegard's law is followed for the melting points of the adsorbed mixture and the (0 2) d-spacing is a continuous function of the mole fraction x. With a two-carbon atom difference, samples aged for 1 week have a lamellar structure for which the entities A{sub 1-x}B {sub x} try to be commensurate with the substrate. The same samples aged for 1 month show a continuous parabolic x-dependence for both the melting points and the d-spacings. An explanation in terms of selective probability of adsorption is proposed based on crystallographic considerations.

Density, electrical conductivity, viscosity and excess properties of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide + propylene carbonate binary mixtures

International Nuclear Information System (INIS)

Vraneš, Milan; Zec, Nebojša; Tot, Aleksandar; Papović, Snežana; Dožić, Sanja; Gadžurić, Slobodan

2014-01-01

Highlights: • Densities of [bmim][NTf 2 ] mixtures with propylene carbonate were measured. • Excess properties were calculated. • Formation of hydrogen bonds between IL and PC was discussed. • Electrical conductivity and viscosity were also measured. • Influence of temperature and composition on mixture properties were studied. -- Abstract: Densities of binary liquid mixtures of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide, [bmim][NTf 2 ], with propylene carbonate (PC) were measured at temperatures from (293.15 to 323.15) K and at atmospheric pressure over the whole composition range. The electrical conductivity was measured in the range from (293.15 to 328.15) K. Also, viscosity of [bmim][NTf 2 ] + PC binary mixtures was measured from (298.15 to 333.15) K. Excess molar volumes, V E , have been obtained from the experimental densities and were fitted to Redlich–Kister polynomial equation. Other volumetric properties, such as isobaric thermal expansion coefficients, partial molar volumes, apparent molar volumes and partial molar volumes at infinite dilution have been also calculated, in order to obtain information about interactions between PC and selected ionic liquid. Results are discussed in order to understand the hydrogen bonds formation between components of the mixture

Improving the performance of booster heat pumps using zeotropic mixtures

DEFF Research Database (Denmark)

Zühlsdorf, B.; Meesenburg, W.; Ommen, T. S.

2018-01-01

Abstract This study demonstrated an increase in the thermodynamic performance of a booster heat pump, which was achieved by choosing the working fluid among pure and mixed fluids. The booster heat pump was integrated in an ultra-low-temperature district heating network with a forward temperature...... of 40 °C to produce domestic hot water, by heating part of the forward stream to 60 °C, while cooling the remaining part to the return temperature of 25 °C. The screening of working fluids considered 18 pure working fluids and all possible binary mixtures of these fluids. The most promising solutions...... heat supply system while being economically competitive to pure fluids....

Synergistic toxicity and physiological impact of imidacloprid alone and binary mixtures with seven representative pesticides on honey bee (Apis mellifera)

Science.gov (United States)

Imidacloprid is the most widely used insecticide in the world. In this study, we used spraying methods to simulate field exposures of bees to formulated imidacloprid (Advise® 2FL) alone and binary mixtures with seven pesticides from different classes. Synergistic toxicity was detected from mixtures ...

Study of intermolecular interactions in binary mixtures of 2-(dimethylamino)ethanol with methanol and ethanol at various temperatures

International Nuclear Information System (INIS)

Pandey, Puneet Kumar; Pandey, Vrijesh Kumar; Awasthi, Anjali; Nain, Anil Kumar; Awasthi, Aashees

2014-01-01

Graphical abstract: The densities and ultrasonic speeds of the binary mixtures over the entire composition range were measured at various temperatures at atmospheric pressure. The excess molar volumes, isentropic compressibilities, and molar isentropic compressions have been calculated. The variations of these parameters with composition and temperature are discussed. The IR spectra were recorded they further supported the conclusion drawn from excess parameters, which indicates the presence of intermolecular hydrogen bonding between the oxygen atom of DMAE molecules and hydrogen atom of methanol and ethanol molecules in these mixtures.. - Highlights: • The study reports density and ultrasonic velocity data of 2-(dimethylamino)ethanol + methanol/ethanol mixtures. • To elucidate the interactions in 2-(dimethylamino)ethanol + methanol/ethanol binary mixtures. • Provides information on nature and relative strength of interactions in these mixtures. • Correlates physicochemical properties with interactions in these mixtures. - Abstract: The densities, ρ and ultrasonic speeds, u of the binary mixtures of 2-(dimethylamino)ethanol (DMAE) with methanol/ethanol, including those of pure liquids, over the entire composition range were measured at 298.15, 308.15 and 318.15 K. From the experimental data, the excess molar volumes, V m E and excess isentropic compressibilities, κ s E have been calculated. The excess partial molar volumes, V ¯ m,1 E and V ¯ m,2 E and excess partial molar isentropic compressions, K ¯ s,m,1 E and K ¯ s,m,2 E over the whole composition range; and partial molar volumes, V ¯ m,1 ° and V ¯ m,2 ° , partial molar isentropic compressions, K ¯ s,m,1 ° and K ¯ s,m,2 ° , excess partial molar volumes, V ¯ m,1 °E and V ¯ m,2 °E , and excess partial molar isentropic compressions, K ¯ s,m,1 °E and K ¯ s,m,2 °E at infinite dilution have also been calculated. The variations of these parameters with composition and temperature are

Heterogeneous structure and solvation dynamics of DME/water binary mixtures: A combined spectroscopic and simulation investigation

Science.gov (United States)

Das Mahanta, Debasish; Rana, Debkumar; Patra, Animesh; Mukherjee, Biswaroop; Mitra, Rajib Kumar

2018-05-01

Water is often found in (micro)-heterogeneous environments and therefore it is necessary to understand their H-bonded network structure in such altered environments. We explore the structure and dynamics of water in its binary mixture with relatively less polar small biocompatible amphiphilic molecule 1,2-Dimethoxyethane (DME) by a combined spectroscopic and molecular dynamics (MD) simulation study. Picosecond (ps) resolved fluorescence spectroscopy using coumarin 500 as the fluorophore establishes a non-monotonic behaviour of the mixture. Simulation studies also explore the various possible H-bond formations between water and DME. The relative abundance of such different water species manifests the heterogeneity in the mixture.

Novel and conventional working fluid mixtures for solar Rankine cycles: Performance assessment and multi-criteria selection

International Nuclear Information System (INIS)

Mavrou, Paschalia; Papadopoulos, Athanasios I.; Stijepovic, Mirko Z.; Seferlis, Panos; Linke, Patrick; Voutetakis, Spyros

2015-01-01

This work investigates the performance of working fluid mixtures for use in solar ORC (Organic Rankine Cycle systems) with heat storage employing FPC (Flat Plate Collectors). Several mixtures are considered including conventional choices often utilized in ORC as well as novel mixtures previously designed using advanced computer aided molecular design methods (Papadopoulos et al., 2013). The impact of heat source variability on the ORC performance is assessed for different working fluid mixtures. Solar radiation is represented in detail through actual, hourly averaged data for an entire year. A multi-criteria mixture selection methodology unveils important trade-offs among several important system operating parameters and efficiently highlights optimum operating ranges. Such parameters include the ORC thermal efficiency, the net generated power, the volume ratio across the turbine, the mass flow rate of the ORC working fluid, the evaporator temperature glide, the temperature drop in the storage tank, the ORC total yearly operating duration, the required collector aperture area to generate 1 kW of power and the irreversibility. A mixture of neopentane – 2-fluoromethoxy-2-methylpropane at 70% neopentane is found to be the most efficient in all the considered criteria simultaneously. - Highlights: • Investigation of novel and conventional working fluid mixtures for solar ORCs. • Systematic, multi-criteria assessment methodology for mixture selection. • Simultaneous consideration of multiple important mixture performance criteria. • Effects of year-round solar variability in a solar ORC with heat storage tank

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

Directory of Open Access Journals (Sweden)

Luchun Yan

2014-07-01

Full Text Available 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.

Crystal nucleation in binary hard-sphere mixtures: the effect of order parameter on the cluster composition

NARCIS (Netherlands)

Ni, R.; Smallenburg, F.; Filion, L.C.; Dijkstra, M.

2011-01-01

We study crystal nucleation in a binary mixture of hard spheres and investigate the composition and size of the (non)critical clusters using Monte Carlo simulations. In order to study nucleation of a crystal phase in computer simulations, a one-dimensional order parameter is usually defined to

Volumetric and surface properties of pure ionic liquid n-octyl-pyridinium nitrate and its binary mixture with alcohol

International Nuclear Information System (INIS)

Jiang Haichao; Wang Jianying; Zhao Fengyun; Qi Guodi; Hu Yongqi

2012-01-01

Highlights: ► Density and surface tension of [Ocpy][NO 3 ] were measured. ► Thermal expansion coefficient, molecular volume, and standard entropies were obtained. ► The critical temperature and enthalpy of vaporization were discussed. ► Density and surface tension were measured for (ionic liquid + alcohols) mixtures. ► Excess molar volumes and surface tension deviations were fitted to Redlich–Kister equation. - Abstract: The density and surface tension for pure ionic liquid N-octyl-pyridinium nitrate were measured from (293.15 to 328.15) K. The coefficient of thermal expansion, molecular volume, standard entropies, and lattice energy were calculated from the experimental density values. The critical temperature, surface entropy, surface enthalpy, and enthalpy of vaporization were also studied from the experimental surface tension results. Density and surface tension were also determined for binary mixtures of (N-octyl-pyridinium nitrate + alcohol) (methanol, ethanol, and 1-butanol) systems over the whole composition range at 298.15 K and atmospheric pressure. Excess molar volumes and surface tension deviations for the binary systems have been calculated and were fitted to a Redlich–Kister equation to determine the fitting parameters and the root mean square deviations. The partial molar volume, excess partial molar volume, and apparent molar volume of the component IL and alcohol in the binary mixtures were also discussed.

Adsorption behavior of strontium on binary mineral mixtures of Montmorillonite and Kaolinite

Energy Technology Data Exchange (ETDEWEB)

Bascetin, Elvan [Cekmece Nuclear Research and Training Center, P.K.1 34149, Atatuerk Airport, Istanbul (Turkey); Atun, Guelten [Engineering Faculty, Chemistry Department, Istanbul University, 34850 Avcilar, Istanbul (Turkey)]. E-mail: gultena@istanbul.edu.tr

2006-08-15

The adsorption behavior of kaolinite and montmorillonite minerals and their mixtures in respect of Sr ion were studied by means of a batch method using {sup 90}Sr as a radio tracer. The effect of several parameters such as temperature, pH, Sr concentration and supporting electrolyte were investigated. Experimentally measured distribution coefficients showed a good agreement to within 98.5-99.7% with theoretically calculated values. The values of adsorption capacity of adsorbents and mean adsorption energy of adsorption were calculated by fitting the adsorption data to Dubinin-Radushkevich isotherm. The adsorption capacity of clay mixtures decreased as kaolinite fractions increased. The mean adsorption energy values of 8.0-9.5 kJ mol{sup -1} showed that adsorption was governed by ion exchange. The Freundlich parameters were used to characterize a site distribution function for binary exchange between Sr and Na.

Adsorption behavior of strontium on binary mineral mixtures of Montmorillonite and Kaolinite

International Nuclear Information System (INIS)

Bascetin, Elvan; Atun, Guelten

2006-01-01

The adsorption behavior of kaolinite and montmorillonite minerals and their mixtures in respect of Sr ion were studied by means of a batch method using 90 Sr as a radio tracer. The effect of several parameters such as temperature, pH, Sr concentration and supporting electrolyte were investigated. Experimentally measured distribution coefficients showed a good agreement to within 98.5-99.7% with theoretically calculated values. The values of adsorption capacity of adsorbents and mean adsorption energy of adsorption were calculated by fitting the adsorption data to Dubinin-Radushkevich isotherm. The adsorption capacity of clay mixtures decreased as kaolinite fractions increased. The mean adsorption energy values of 8.0-9.5 kJ mol -1 showed that adsorption was governed by ion exchange. The Freundlich parameters were used to characterize a site distribution function for binary exchange between Sr and Na

Measurement and modeling of osmotic coefficients of binary mixtures (alcohol + 1,3-dimethylpyridinium methylsulfate) at T = 323.15 K

International Nuclear Information System (INIS)

Gomez, Elena; Calvar, Noelia; Dominguez, Angeles; Macedo, Eugenia A.

2011-01-01

Research highlights: → The osmotic coefficients of binary mixtures (alcohol + ionic liquid) were determined. → The measurements were carried out with a vapor pressure osmometer at 323.15 K. → The Pitzer-Archer, and the MNRTL models were used to correlate the experimental data. → Mean molal activity coefficients and excess Gibbs free energies were calculated. - Abstract: Measurement of osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1,3-dimethylpyridinium methylsulfate were performed at T = 323.15 K using the vapor pressure osmometry technique, and from experimental data, vapor pressure, and activity coefficients were determined. The extended Pitzer model modified by Archer, and the NRTL model modified by Jaretun and Aly (MNRTL) were used to correlate the experimental osmotic coefficients, obtaining standard deviations lower than 0.017 and 0.054, respectively. From the parameters obtained with the extended Pitzer model modified by Archer, the mean molal activity coefficients and the excess Gibbs free energy for the studied binary mixtures were calculated. The effect of the cation is studied comparing the experimental results with those obtained for the ionic liquid 1,3-dimethylimidazolium methylsulfate.

Three Boundary Conditions for Computing the Fixed-Point Property in Binary Mixture Data.

Directory of Open Access Journals (Sweden)

Leendert van Maanen

Full Text Available The notion of "mixtures" has become pervasive in behavioral and cognitive sciences, due to the success of dual-process theories of cognition. However, providing support for such dual-process theories is not trivial, as it crucially requires properties in the data that are specific to mixture of cognitive processes. In theory, one such property could be the fixed-point property of binary mixture data, applied-for instance- to response times. In that case, the fixed-point property entails that response time distributions obtained in an experiment in which the mixture proportion is manipulated would have a common density point. In the current article, we discuss the application of the fixed-point property and identify three boundary conditions under which the fixed-point property will not be interpretable. In Boundary condition 1, a finding in support of the fixed-point will be mute because of a lack of difference between conditions. Boundary condition 2 refers to the case in which the extreme conditions are so different that a mixture may display bimodality. In this case, a mixture hypothesis is clearly supported, yet the fixed-point may not be found. In Boundary condition 3 the fixed-point may also not be present, yet a mixture might still exist but is occluded due to additional changes in behavior. Finding the fixed-property provides strong support for a dual-process account, yet the boundary conditions that we identify should be considered before making inferences about underlying psychological processes.

Modeling and optimization of geothermal power plants using the binary fluid cycle

Energy Technology Data Exchange (ETDEWEB)

Walter, R.A.

1976-09-01

A computer simulation of a binary fluid cycle power plant for use with geothermal energy sources, and the subsequent optimization of this power plant type over a range of geothermal source conditions are described. The optimization technique employed for this analysis was based upon the principle of maximum use of geothermal energy.

Viscosities of binary mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol

Directory of Open Access Journals (Sweden)

VASILE DUMITRESCU

2005-11-01

Full Text Available The viscosities of binary liquid mixtures of toluene with butan-1-ol and 2-methylpropan-2-ol have been determined at 298.15, 303.15, 308.15, 313.15 and 318.15 K over the whole concentration range. The Hind, Grunberg–Nissan, Wijk, Auslander and McAllister models were used to calculate the viscosity coefficients and these were compared with the experimental data for the mixtures. Excess viscosities were also calculated and fitted to the Redlich–Kister equation. Various thermodynamic properties of viscous flow activation were determined and their variations with composition are discussed.

Viscosities of binary mixtures of some n-ethoxyethanols with ethyl tert-butyl ether at T = (293.15, 298.15, and 303.15) K

International Nuclear Information System (INIS)

Cwiklinska, Aneta; Dzikowski, Tomasz; Szychowski, Dariusz; Kinart, Wojciech J.; Kinart, Cezary M.

2007-01-01

Viscosities at T = (293.15, 298.15, and 303.15) K in the binary mixtures of ethyl tert-butyl ether with 2-ethoxyethanol, 2-(2-ethoxyethoxy)ethanol, and 2-[2-(2-ethoxyethoxy)ethoxy]ethanol have been measured over the entire range of mixture compositions. From the experimental data, deviations in the viscosity (Δln η) and excess energies of activation for viscous flow (ΔG *E ) have been calculated. The viscosity data were correlated with equations of Hind et al., Grunberg and Nissan, Auslaender, and McAllister. The results for Δln η and ΔG *E are discussed in terms of intermolecular interactions and structure of studied binary mixtures

Smoothed particle hydrodynamics model for phase separating fluid mixtures. I. General equations

NARCIS (Netherlands)

Thieulot, C; Janssen, LPBM; Espanol, P

We present a thermodynamically consistent discrete fluid particle model for the simulation of a recently proposed set of hydrodynamic equations for a phase separating van der Waals fluid mixture [P. Espanol and C.A.P. Thieulot, J. Chem. Phys. 118, 9109 (2003)]. The discrete model is formulated by

(Vapour + liquid) equilibria for binary and ternary mixtures of 2-propanol, tetrahydropyran, and 2,2,4-trimethylpentane at P = 101.3 kPa

International Nuclear Information System (INIS)

Lin, Dun-Yi; Tu, Chein-Hsiun

2012-01-01

Highlights: ► We report the VLE data at P = 101.3 kPa involving a cyclic ether. ► The activity coefficients of mixtures were obtained from modified Raoult’s law. ► The VLE data were correlated by four liquid activity coefficient models. ► The ternary VLE data were predicted from binary parameters of the four models. - Abstract: (Vapour + liquid) equilibrium (VLE) at P = 101.3 kPa have been determined for a ternary system (2-propanol + tetrahydropyran + 2,2,4-trimethylpentane) and its constituent binary systems (2-propanol + tetrahydropyran, 2-propanol + 2,2,4-trimethylpentane), and (tetrahydropyran + 2,2,4-trimethylpentane). Analysis of VLE data reveals that two binary systems (2-propanol + tetrahydropyran) and (2-propanol + 2,2,4-trimethylpentane) have a minimum boiling azeotrope. No azeotrope was found for the ternary system. The activity coefficients of liquid mixtures were obtained from the modified Raoult’s law and were used to calculate the reduced excess molar Gibbs free energy (g E /RT). Thermodynamic consistency tests were performed for all VLE data using the Van Ness direct test for the binary systems and the test of McDermott–Ellis as modified by Wisniak and Tamir for the ternary system. The VLE data of the binary mixtures were correlated using the three-suffix Margules, Wilson, NRTL, and UNIQUAC activity-coefficient models. The models with their best-fitted interaction parameters of the binary systems were used to predict the ternary (vapour + liquid) equilibrium.

Potentiometric pKa Determination of Piroxicam and Tenoxicam in Acetonitrile-Water Binary Mixtures

OpenAIRE

Çubuk Demiralay, Ebru; Yılmaz, Hülya

2012-01-01

Abstract: Ionization constant (pKa) is one among the parameter to be estimated with accuracy, irrespective of solubility constraints. In the present study, acid-base behaviour of the piroxicam and tenoxicam was studied. By using the potentiometric method, pKa values of piroxicam and tenoxicam have been determined in different percentage of acetonitrile-water binary mixtures (acetonitrile content between 30 and 45% in volume). Aqueous pKa values of these compounds were calculated by mole fract...

Bubble-point measurement for the binary mixture of propargyl acrylate and propargyl methacrylate in supercritical carbon dioxide

International Nuclear Information System (INIS)

Baek, Seung-Hyun; Byun, Hun-Soo

2016-01-01

Highlights: • Phase behaviours for the (CO_2 + propargyl (meth)acrylate) systems by static method were measured. • (P, x) isotherms is obtained at pressures up to 19.14 MPa and at temperature of (313.2 to 393.2) K. • The (CO_2 + propargyl acrylate) and (CO_2 + propargyl methacrylate) systems exhibit type-I behaviour. - Abstract: Acrylate and methacrylate (acrylic acid type) are compounds with weak polarity which show a non-ideal behaviour. Phase behaviour of these systems play a significant role as organic solvents in industrial processes. High pressure phase behaviour data were reported for binary mixture of propargyl acrylate and propargyl methacrylate in supercritical carbon dioxide. The bubble-point curves for the (carbon dioxide + propargyl acrylate) and (carbon dioxide + propargyl methacrylate) mixtures were measured by static view cell apparatus at temperature range from 313.2 K to 393.2 K and at pressures below 19.14 MPa. The (carbon dioxide + propargyl acrylate) and (carbon dioxide + propargyl methacrylate) systems exhibit type-I phase behaviour. The (carbon dioxide + (meth)acrylate) systems had continuous critical mixture curves with maximums in pressure located between the critical temperatures of carbon dioxide and propargyl acrylate or carbon dioxide and propargyl methacrylate. The solubility behaviour of propargyl (meth)acrylate in the (carbon dioxide + propargyl acrylate) and (carbon dioxide + propargyl acrylate) systems increases as the temperature increases at a fixed pressure. The experimental results for the (carbon dioxide + propargyl acrylate) and (carbon dioxide + propargyl methacrylate) systems correlate with the Peng–Robinson equation of state using a van der Waals one-fluid mixing rule. The critical properties of propargyl acrylate and propargyl methacrylate were predicted with the Joback–Lyderson group contribution and Lee–Kesler method.

Global phase equilibrium calculations: Critical lines, critical end points and liquid-liquid-vapour equilibrium in binary mixtures

DEFF Research Database (Denmark)

Cismondi, Martin; Michelsen, Michael Locht

2007-01-01

A general strategy for global phase equilibrium calculations (GPEC) in binary mixtures is presented in this work along with specific methods for calculation of the different parts involved. A Newton procedure using composition, temperature and Volume as independent variables is used for calculation...

The effect of vapor polarity and boiling point on breakthrough for binary mixtures on respirator carbon.

Science.gov (United States)

Robbins, C A; Breysse, P N

1996-08-01

This research evaluated the effect of the polarity of a second vapor on the adsorption of a polar and a nonpolar vapor using the Wheeler model. To examine the effect of polarity, it was also necessary to observe the effect of component boiling point. The 1% breakthrough time (1% tb), kinetic adsorption capacity (W(e)), and rate constant (kv) of the Wheeler model were determined for vapor challenges on carbon beds for both p-xylene and pyrrole (referred to as test vapors) individually, and in equimolar binary mixtures with the polar and nonpolar vapors toluene, p-fluorotoluene, o-dichlorobenzene, and p-dichlorobenzene (referred to as probe vapors). Probe vapor polarity (0 to 2.5 Debye) did not systematically alter the 1% tb, W(e), or kv of the test vapors. The 1% tb and W(e) for test vapors in binary mixtures can be estimated reasonably well, using the Wheeler model, from single-vapor data (1% tb +/- 30%, W(e) +/- 20%). The test vapor 1% tb depended mainly on total vapor concentration in both single and binary systems. W(e) was proportional to test vapor fractional molar concentration (mole fraction) in mixtures. The kv for p-xylene was significantly different (p boiling point; however, these differences were apparently of limited importance in estimating 1% tb for the range of boiling points tested (111 to 180 degrees C). Although the polarity and boiling point of chemicals in the range tested are not practically important in predicting 1% tb with the Wheeler model, an effect due to probe boiling point is suggested, and tests with chemicals of more widely ranging boiling point are warranted. Since the 1% tb, and thus, respirator service life, depends mainly on total vapor concentration, these data underscore the importance of taking into account the presence of other vapors when estimating respirator service life for a vapor in a mixture.

The potential energy landscape in the Lennard-Jones binary mixture model

International Nuclear Information System (INIS)

Sampoli, M; Benassi, P; Eramo, R; Angelani, L; Ruocco, G

2003-01-01

The potential energy landscape in the Kob-Andersen Lennard-Jones binary mixture model has been studied carefully from the liquid down to the supercooled regime, from T = 2 down to 0.46. One thousand independent configurations along the time evolution locus have been examined at each temperature investigated. From the starting configuration, we searched for the nearest saddle (or quasi-saddle) and minimum of the potential energy. The vibrational densities of states for the starting and the two derived configurations have been evaluated. Besides the number of negative eigenvalues of the saddles other quantities show some signature of the approach of the dynamical arrest temperature

Properties for binary mixtures of (acetamide + KSCN) eutectic ionic liquid with ethanol at several temperatures

International Nuclear Information System (INIS)

Liu, Baoyou; Liu, Yaru

2016-01-01

Graphical abstract: Viscosity deviation (Δη) against mole fraction of ethanol for [ethanol(1) + [(acetamide + KSCN)](2)] mixtures at several temperatures. The solid lines represent the corresponding correlation by the Redlich–Kister equation. - Highlights: • Density, viscosity and conductivity of (acetamide + KSCN) ethanol solution were measured. • V"E and Δη were calculated from the measured density and viscosity respectively. • V"E and Δη were both well fitted by a third order Redlich–Kister equation. • The conductivity was described by a Castell–Amis equation. - Abstract: Density, viscosity and conductivity were determined for the binary mixture of (acetamide + KSCN) eutectic ionic liquid with ethanol at T = (298.15, 303.15, 308.15, 313.15, 318.15) K and atmospheric pressure. The density, viscosity values decrease with the increase of temperature while the conductivity values increase over the whole concentration range. The density and viscosity values decrease monotonically with the increase of the mole content of ethanol. From the experimental values, excess molar volumes V"E and viscosity deviations Δη for the binary mixture were calculated and V"E and Δη were both well fitted by a third order Redlich–Kister equation. With the increase mole fraction of ethanol, the conductivity values of the mixture increase gradually first and then decrease dramatically, and the highest conductivity values appear at 0.8562 mol fraction of ethanol. The relationship between the conductivity and the mole fraction of ethanol can be well described by a Castell–Amis equation. The interactions with ethanol molecular and ions of (acetamide + KSCN) ionic liquid were discussed by FTIR spectra.

Vapour pressures, osmotic and activity coefficients for binary mixtures containing (1-ethylpyridinium ethylsulfate + several alcohols) at T = 323.15 K

International Nuclear Information System (INIS)

Calvar, Noelia; Gomez, Elena; Dominguez, Angeles; Macedo, Eugenia A.

2010-01-01

Osmotic coefficients of binary mixtures containing several primary and secondary alcohols (1-propanol, 2-propanol, 1-butanol, 2-butanol, and 1-pentanol) and the pyridinium-based ionic liquid 1-ethylpyridinium ethylsulfate were determined at T = 323.15 K using the vapour pressure osmometry technique. From the experimental results, vapour pressure and activity coefficients can be determined. For the correlation of osmotic coefficients, the extended Pitzer model modified by Archer, and the modified NRTL (MNRTL) model were used, obtaining deviations lower than 0.017 and 0.047, respectively. The mean molal activity coefficients and the excess Gibbs free energy for the binary mixtures studied were determined from the parameters obtained with the extended Pitzer model modified by Archer.

Physico-chemical properties of binary mixtures of N,N-dimethylformamide with 1-octanol, 1-nonanol and 1-decanol at different temperatures

International Nuclear Information System (INIS)

AlTuwaim, Mohammad S.; Alkhaldi, Khaled H.A.E.; Al-Jimaz, Adel S.; Mohammad, Abubaker A.

2013-01-01

Highlights: ► Physical properties of binary mixtures of DMF+1-octanol, 1-nonanol or 1-decanol at different temperatures were investigated. ► Densities, refractive indices and speed of sound were measured. ► V E , K s E , u D and n D E were calculated using the experimental data. ► Speed of sound data were analyzed using different theories and relations. -- Abstract: The density, refractive index and speed of sound for binary mixtures of N,N-dimethylformamide with 1-octanol, 1-nonanol and 1-decanol were measured at several temperatures and atmospheric pressure over the entire range of mole fraction. Excess molar volumes, isentropic and excess isentropic compressibilities, excess refractive indices and deviations in speed of sound for the above systems were calculated from the experimental results. Furthermore, excess properties and deviations in speed of sound were fitted to the Redlich–Kister polynomial. The Lorentz–Lorenz, Dale–Gladstone, Eykman and Arago–Biot mixing rules were used to calculate the refractive indices of the binary mixtures. The speeds of sound have been analyzed in term of Schaaffs’ collision factor theory, Jacobson’s intermolecular free length theory of solutions, Nomoto relation and Van Deal ideal mixture relation. The calculated excess molar properties have been qualitatively used to explain the intermolecular interaction between the mixed components as well as the effects of n-alkanol chain length

A dynamic organic Rankine cycle using a zeotropic mixture as the working fluid with composition tuning to match changing ambient conditions

International Nuclear Information System (INIS)

Collings, Peter; Yu, Zhibin; Wang, Enhua

2016-01-01

Highlights: • A dynamic ORC using a zeotropic mixture with composition tuning is proposed. • The working principle is verified theoretically, based on a thermodynamic model. • Improvements in the resultant power plant’s annual power production are analysed. • The economic benefits have been demonstrated by an economic analysis. - Abstract: Air-cooled condensers are widely used for Organic Rankine Cycle (ORC) power plants where cooling water is unavailable or too costly, but they are then vulnerable to changing ambient air temperatures especially in continental climates, where the air temperature difference between winter and summer can be over 40 °C. A conventional ORC system using a single component working fluid has to be designed according to the maximum air temperature in summer and thus operates far from optimal design conditions for most of the year, leading to low annual average efficiencies. This research proposes a novel dynamic ORC that uses a binary zeotropic mixture as the working fluid, with mechanisms in place to adjust the mixture composition dynamically during operation in response to changing heat sink conditions, significantly improving the overall efficiency of the plant. The working principle of the dynamic ORC concept is analysed. The case study results show that the annual average thermal efficiency can be improved by up to 23% over a conventional ORC when the heat source is 100 °C, while the evaluated increase of the capital cost is less than 7%. The dynamic ORC power plants are particularly attractive for low temperature applications, delivering shorter payback periods compared to conventional ORC systems.

Dielectric Behaviour of Binary Mixture of 2-Chloroaniline with 2-Methoxyethanol and 2-Ethoxyethanol

Directory of Open Access Journals (Sweden)

Bhupesh G. Nemmaniwar

2013-05-01

Full Text Available Densities, viscosities, refractive indices, dielectric constant (ε' and dielectric loss (ε'' of 2-chloroaniline (2CA + 2-methoxyethanol (2ME and 2-chloroaniline (2CA + 2-ethoxyethanol (2EE for different mole fractions of 2-chloroaniline in binary mixture have been measured at single microwave frequency 10.985 GHz at 300C by Surber method using microwave X-band. The values of dielectric parameters (ε' and ε''   have been used to evaluate the molar polarization (P12 loss tangent (tanδ, viscosity (η, activation energy (Ea, excess permittivity (Δε', excess dielectric loss (Δε'', excess viscosities (Δη, excess polarization (ΔP12 and excess activation energy (ΔEa  have also been estimated. These parameters have been used to explain the formation of complexes in the system. It is found that dielectric constant (ε', dielectric loss (ε'', loss tangent (tanδ, molar polarization (P12 varies non-linearly but activation energy (Ea , viscosity (η ,density (ρ, and refractive index (n varies linearly with increasing mole fraction in binary mixture of 2-chloroaniline (2-CA + 2-methoxyethanol (2-ME and 2-chloroaniline (2-CA + 2-ethoxyethanol (2-EE. Hence, solute-solvent molecular associations have been reported. 

Stability studies of colloidal silica dispersions in binary solvent mixtures

International Nuclear Information System (INIS)

Bean, Keith Howard

1997-01-01

A series of monodispersed colloidal silica dispersions, of varying radii, has been prepared. These particles are hydrophilic in nature due to the presence of surface silanol groups. Some of the particles have been rendered hydrophobic by terminally grafting n-alkyl (C 18 ) chains to the surface. The stability of dispersions of these various particles has been studied in binary mixtures of liquids, namely (i) ethanol and cyclohexane, and (ii) benzene and n-heptane. The ethanol - cyclohexane systems have been studied using a variety of techniques. Adsorption excess isotherms have been established and electrophoretic mobility measurements have been made. The predicted stability of the dispersions from D.V.L.O. calculations is compared to the observed stability. The hydrophilic silica particles behave as predicted by the calculations, with the zeta potential decreasing and the van der Waals attraction increasing with increasing cyclohexane concentration. The hydrophobic particles behave differently than expected, and the stability as a function of solvent mixture composition does not show a uniform trend. The effect of varying the coverage of C 18 chains on the surface and the effect of trace water in the systems has also been investigated. Organophilic silica dispersions in benzene - n-heptane solvent mixtures show weak aggregation and phase separation into a diffuse 'gas-like' phase and a more concentrated 'liquid-like' phase, analogous to molecular condensation processes. Calculations of the van der Waals potential as a function of solvent mixture composition show good agreement with the observed stability. Determination of the number of particles in each phase at equilibrium allows the energy of flocculation to be determined using a simple thermodynamic relationship. Finally, the addition of an AB block copolymer to organophilic silica particles in benzene n-heptane solvent mixtures has been shown to have a marked effect on the dispersion stability. This stability

Electro-optic and dielectric properties of new binary ferroelectric and antiferroelectric liquid crystalline mixtures

Czech Academy of Sciences Publication Activity Database

Fitas, J.; Marzec, M.; Kurp, K.; Żurowska, M.; Tykarska, M.; Bubnov, Alexej

2017-01-01

Roč. 44, č. 9 (2017), s. 1468-1476 ISSN 0267-8292 R&D Projects: GA MŠk(CZ) LD14007; GA ČR GA15-02843S Grant - others:EU - ICT(XE) COST Action IC1208 Institutional support: RVO:68378271 Keywords : liquid crystals * ferroelectric and antiferroelectric phase * binary mixture * dielectric spectroscopy * switching time * tilt angle Subject RIV: JJ - Other Materials OBOR OECD: Nano-materials (production and properties) Impact factor: 2.661, year: 2016

NMR study of thallium(I) ions in molten binary mixtures of nitrates and chlorides

International Nuclear Information System (INIS)

Nakamura, Yoshio; Kitazawa, Yukiharu; Shimoji, Mitsuo; Shimokawa, Shigezo.

1983-01-01

The chemical shifts of 205 Tl NMR in molten binary mixtures of nitrates and those of chlorides have been measured as a function of composition and temperature. The shifts increase in the diamagnetic direction with decreasing the size of foreign cations and increase in the paramagnetic direction with increasing temperature. These results are interpreted by changes in the overlap of orbitals of the Tl + ion and the anion, which depend upon composition and temperature. (author)

Thermophysical properties of binary mixtures of triethoxysilane, methyltriethoxysilane, vinyltriethoxysilane and 3-mercaptopropyltriethoxysilane with ethylbenzene at various temperatures

International Nuclear Information System (INIS)

Zhang, Yindi; Dong, Hong; Wu, Chuan; Yu, Lijiao

2014-01-01

Highlights: • Values of ρ and n D of binary mixtures containing organosilicon compounds at different temperatures were measured. • α, V m E , V ¯ i E,∞ , (n 2 ) E , R m and ΔR m were studied. • The excess molar volumes, excess squared refraction indices and the deviations in molar refractions were negative. - Abstract: The density and refractive index were determined for binary mixtures of triethoxysilane, methyltriethoxysilane, vinyltriethoxysilane and 3-mercaptopropyltriethoxysilane with ethylbenzene at different temperatures (T = 288.15, 298.15, 308.15, 318.15 and 328.15 K) and atmospheric pressure using a DMA4500 and RXA170 combined system. The excess molar volume (V m E ), partial excess volume at infinite dilution (V ¯ i E,∞ ), isobaric coefficient of thermal expansion (α), excess squared refraction indices [(n 2 ) E ], Lorentz–Lorenz molar refraction (R m ) and the deviation in molar refraction (ΔR m ) have been calculated using this data. The results have been incorporated into the Redlich–Kister equation and used to estimate the binary interaction parameter and standard deviation. In addition, the excess molar volume (V m E ) was calculated and correlated using the Legendre polynomials. The value of partial excess volume at infinite dilution (V ¯ i E,∞ ) for these binary systems at different temperatures was calculated from either the adjustable parameters of Redlich–Kister smoothing equation or the Legendre polynomials. The isobaric coefficient of thermal expansion (α) of the binary systems was estimated using the temperature dependence of the densities. The results indicate that the excess molar volumes, excess squared refraction indices and the deviations in molar refractions at each temperature were negative. These phenomena are a result of a number of factors including: the partial interstitial accommodation effect, disruption in the orientational order of the pure components and steric structure

Data Requirements and Modeling for Gas Hydrate-Related Mixtures and a Comparison of Two Association Models

DEFF Research Database (Denmark)

Liang, Xiaodong; Aloupis, Georgios; Kontogeorgis, Georgios M.

2017-01-01

the performance of the CPA and sPC-SAFT EOS for modeling the fluid-phase equilibria of gas hydrate-related systems and will try to explore how the models can help in suggesting experimental measurements. These systems contain water, hydrocarbon (alkane or aromatic), and either methanol or monoethylene glycol...... parameter sets have been chosen for the sPC-SAFT EOS for a fair comparison. The comparisons are made for pure fluid properties, vapor liquid-equilibria, and liquid liquid equilibria of binary and ternary mixtures as well as vapor liquid liquid equilibria of quaternary mixtures. The results show, from...

Phase equilibria for mixtures containing nonionic surfactant systems: Modeling and experiments

International Nuclear Information System (INIS)

Shin, Moon Sam; Kim, Hwayong

2008-01-01

Surfactants are important materials with numerous applications in the cosmetic, pharmaceutical, and food industries due to inter-associating and intra-associating bond. We present a lattice fluid equation-of-state that combines the quasi-chemical nonrandom lattice fluid model with Veytsman statistics for (intra + inter) molecular association to calculate phase behavior for mixtures containing nonionic surfactants. We also measured binary (vapor + liquid) equilibrium data for {2-butoxyethanol (C 4 E 1 ) + n-hexane} and {2-butoxyethanol (C 4 E 1 ) + n-heptane} systems at temperatures ranging from (303.15 to 323.15) K. A static apparatus was used in this study. The presented equation-of-state correlated well with the measured and published data for mixtures containing nonionic surfactant systems

NON-EQUILIBRIUM MOLECULAR DYNAMICS USED TO OBTAIN SORET COEFFICIENTS OF BINARY HYDROCARBON MIXTURES

Directory of Open Access Journals (Sweden)

F. A. Furtado

2015-09-01

Full Text Available AbstractThe Boundary Driven Non-Equilibrium Molecular Dynamics (BD-NEMD method is employed to evaluate Soret coefficients of binary mixtures. Using a n-decane/n-pentane mixture at 298 K, we study several parameters and conditions of the simulation procedure such as system size, time step size, frequency of perturbation, and the undesired warming up of the system during the simulation. The Soret coefficients obtained here deviated around 20% when comparing with experimental data and with simulated results from the literature. We showed that fluctuations in composition gradients and the consequent deviations of the Soret coefficient may be due to characteristic fluctuations of the composition gradient. Best results were obtained with the smallest time steps and without using a thermostat, which shows that there is room for improvement and/or development of new BD-NEMD algorithms.

Determination and modeling of the solubility of (limonin in methanol or acetone + water) binary solvent mixtures at T = 283.2 K to 318.2 K

International Nuclear Information System (INIS)

Fan, Jie-Ping; Zheng, Bing; Liao, Dan-Dan; Yu, Jia-Xin; Cao, Ya-Hui; Zhang, Xue-Hong; Zhu, Jian-Hang

2016-01-01

Highlights: • The solubilities of limonin were measured in the binary solvent mixtures methanol + water and acetone + water. • The solubility data were correlated by nine models. • The solubility of limonin had a maximum point at 0.9 mol fraction of acetone in acetone + water mixtures. - Abstract: The solubility of limonin in the binary solvent mixtures (methanol + water) and (acetone + water) with various initial mole fractions of methanol or acetone was measured by high-performance liquid chromatography (HPLC) at different temperatures ranging from 283.2 K to 318.2 K. The solubility of limonin increased with increasing initial mole fraction of methanol in (methanol + water) mixtures, whereas it had a maximum point at 0.9 mol fraction of acetone in (acetone + water) mixtures. The solubility of limonin increased with increasing temperature in the two binary solvent mixtures. The solubility of limonin was correlated with temperature by the van’t Hoff model and the modified Apelblat model, and the fitting results showed that the modified Apelblat model had better correlation. The CNIBS/Redlich–Kister model and the simplified CNIBS/Redlich–Kister model were used to correlate the solubility data with the initial solvent composition, the results show that the CNIBS/Redlich–Kister model reveals better agreement with the experimental values. Furthermore, to illustrate the effects of both temperature and initial solvent composition on the changes in the solubility of limonin, the solubility values were fitted by the Jouyban–Acree, van’t Hoff–Jouyban–Acree, modified Apelblat–Jouyban–Acree, Ma and Sun models. Among the five models, the Jouyban–Acree model give the best correlation results for (methanol + water) binary solvent mixtures, while the experimental solubility in the (acetone + water) system was most accurately correlated by the van’t Hoff–Jouyban–Acree model.

Vapour pressure and excess Gibbs free energy of binary mixtures of hydrogen sulphide with ethane, propane, and n-butane at temperature of 182.33K

International Nuclear Information System (INIS)

Lobo, L.Q.; Ferreira, A.G.M.; Fonseca, I.M.A.; Senra, A.M.P.

2006-01-01

The vapour pressure of binary mixtures of hydrogen sulphide with ethane, propane, and n-butane was measured at T=182.33K covering most of the composition range. The excess Gibbs free energy of these mixtures has been derived from the measurements made. For the equimolar mixtures G m E (x 1 =0.5)=(835.5+/-5.8)J.mol -1 for (H 2 S+C 2 H 6 ) (820.1+/-2.4)J.mol -1 for (H 2 S+C 3 H 8 ), and (818.6+/-0.9)J.mol -1 for (H 2 S+n-C 4 H 10 ). The binary mixtures of H 2 S with ethane and with propane exhibit azeotropes, but that with n-butane does not

Experimental and theoretical study of surface tension of binary mixtures of (n-alkyl acetates + heptane, benzene, and toluene)

International Nuclear Information System (INIS)

Rafati, Amir Abbas; Ghasemian, Ensieh

2009-01-01

Surface properties of binary mixtures of (n-alkyl acetates + heptane, benzene, and toluene) have been measured by surface tension method at T = 298.15 K and atmospheric pressure. 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 group contribution method for the calculation of activity coefficient. The mean relative standard deviations obtained from the comparison of experimental (measured) and calculated surface tension values for the eight binary systems are less than 1.5%, which leads to concluding that the model shows a good accuracy in different situations in comparison with other predicted equations. In addition, the relative Gibbs adsorption and the surface mole fraction have been evaluated using this model. The surface tension deviations were calculated from experimental results and have been fitted to the Redlich-Kister type polynomial relation

Appearance of enhancement effect in adsorption of binary gas mixtures

Energy Technology Data Exchange (ETDEWEB)

Sakano, T. [Ajinomoto General Foods, Inc., Tokyo (Japan); Tamon, H.; Okazaki, M. [Kyoto University, Kyoto (Japan)

1997-10-20

The properties of adsorbents and adsorbates contributing to the enhancement in adsorption of binary gas mixtures were experimentally investigated. It is found that adsorbent is required to maintain the phenolic hydroxyl group and the carbonyl group as acidic surface oxides on the carbon surface, and to have a microporous structure for the main adsorption sites. Each gas component is required to be chemisorbed on the phenolic hydroxyl group or the carbonyl group on the adsorbent, and that both components are adsorbed in the micropores together. From the characterization of adsorbents after adsorption-desorption runs, it is demonstrated that the adsorbates in the micropores exist at a higher density than in the bulk state through the promotion of micropore filling when adsorption enhancement appears. 17 refs., 7 figs., 5 tabs.

Thermophysical properties of binary mixtures of {l_brace}ionic liquid 2-hydroxy ethylammonium acetate + (water, methanol, or ethanol){r_brace}

Energy Technology Data Exchange (ETDEWEB)

Alvarez, Victor H. [School of Chemical Engineering, State University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas-SP (Brazil); Chemical Engineering Department, ETSE, University of Santiago de Compostela (USC), P.O. Box 15782, Santiago de Compostela (Spain); Mattedi, Silvana [Chemical Engineering Department, Polytechnic School, Federal University of Bahia (UFBA), 40210-630 Salvador-BA (Brazil); Martin-Pastor, Manuel [Unidade de Resonancia Magnetica, RIAIDT, edif. CACTUS, University of Santiago de Compostela (USC), P.O. Box 15706, Santiago de Compostela (Spain); Aznar, Martin [School of Chemical Engineering, State University of Campinas (UNICAMP), P.O. Box 6066, 13083-970 Campinas-SP (Brazil); Iglesias, Miguel, E-mail: miguel.iglesias@usc.es [Chemical Engineering Department, ETSE, University of Santiago de Compostela (USC), P.O. Box 15782, Santiago de Compostela (Spain)

2011-07-15

Research highlights: > This paper reports the density and speed of sound data of binary mixtures {l_brace}2-hydroxy ethylammonium acetate + (water, or methanol, or ethanol){r_brace} measured between the temperatures (298.15 and 313.15) K at atmospheric pressure. > The aggregation, dynamic behavior, and hydrogen-bond network were studied using thermo-acoustic, X-ray, and NMR techniques. > The Peng-Robinson equation of state, coupled with the Wong-Sandler mixing rule using the COSMO-SAC model predicted the density of the solutions with relative mean deviations below than 3.0%. - Abstract: In this work, density and speed of sound data of binary mixtures of an ionic liquid consisting of {l_brace}2-hydroxy ethylammonium acetate (2-HEAA) + (water, methanol, or ethanol){r_brace} have been measured throughout the entire concentration range, from the temperature of (288.15 to 323.15) K at atmospheric pressure. The excess molar volumes, variations of the isentropic compressibility, the apparent molar volume, isentropic apparent molar compressibility, and thermal expansion coefficient were calculated from the experimental data. The excess molar volumes were negative throughout the whole composition range. Compressibility data in combination with low angle X-ray scattering and NMR measurements proved that the presence of micelles formed due to ion pair interaction above a critical concentration of the ionic liquid in the mixtures. The Peng-Robinson equation of state coupled with the Wong-Sandler mixing rule and COSMO-SAC model was used to predict densities and the calculated deviations were lower than 3%, for binary mixtures in all composition range.

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

Science.gov (United States)

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.

Phase Diagram of Kob-Andersen-Type Binary Lennard-Jones Mixtures

Science.gov (United States)

Pedersen, Ulf R.; Schrøder, Thomas B.; Dyre, Jeppe C.

2018-04-01

The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model for computational studies of viscous liquids and the glass transition. For very long simulations, the viscous KA system crystallizes, however, by phase separating into a pure A particle phase forming a fcc crystal. We present the thermodynamic phase diagram for KA-type mixtures consisting of up to 50% small (B ) particles showing, in particular, that the melting temperature of the standard KA system at liquid density 1.2 is 1.028(3) in A particle Lennard-Jones units. At large B particle concentrations, the system crystallizes into the CsCl crystal structure. The eutectic corresponding to the fcc and CsCl structures is cutoff in a narrow interval of B particle concentrations around 26% at which the bipyramidal orthorhombic PuBr3 structure is the thermodynamically stable phase. The melting temperature's variation with B particle concentration at two constant pressures, as well as at the constant density 1.2, is estimated from simulations at pressure 10.19 using isomorph theory. Our data demonstrate approximate identity between the melting temperature and the onset temperature below which viscous dynamics appears. Finally, the nature of the solid-liquid interface is briefly discussed.

Poisson-Box Sampling algorithms for three-dimensional Markov binary mixtures

Science.gov (United States)

Larmier, Coline; Zoia, Andrea; Malvagi, Fausto; Dumonteil, Eric; Mazzolo, Alain

2018-02-01

Particle transport in Markov mixtures can be addressed by the so-called Chord Length Sampling (CLS) methods, a family of Monte Carlo algorithms taking into account the effects of stochastic media on particle propagation by generating on-the-fly the material interfaces crossed by the random walkers during their trajectories. Such methods enable a significant reduction of computational resources as opposed to reference solutions obtained by solving the Boltzmann equation for a large number of realizations of random media. CLS solutions, which neglect correlations induced by the spatial disorder, are faster albeit approximate, and might thus show discrepancies with respect to reference solutions. In this work we propose a new family of algorithms (called 'Poisson Box Sampling', PBS) aimed at improving the accuracy of the CLS approach for transport in d-dimensional binary Markov mixtures. In order to probe the features of PBS methods, we will focus on three-dimensional Markov media and revisit the benchmark problem originally proposed by Adams, Larsen and Pomraning [1] and extended by Brantley [2]: for these configurations we will compare reference solutions, standard CLS solutions and the new PBS solutions for scalar particle flux, transmission and reflection coefficients. PBS will be shown to perform better than CLS at the expense of a reasonable increase in computational time.

Solid-state characterization of paracetamol metastable polymorphs formed in binary mixtures with hydroxypropylmethylcellulose

International Nuclear Information System (INIS)

Rossi, Alessandra; Savioli, Alessandra; Bini, Marcella; Capsoni, Doretta; Massarotti, Vincenzo; Bettini, Ruggero; Gazzaniga, Andrea; Sangalli, Maria Edvige; Giordano, Ferdinando

2003-01-01

Two metastable polymorphs of paracetamol (forms II and III) were prepared by appropriate thermal methods from binary mixtures containing 10% (w/w) of hydroxypropylmethylcellulose. By controlling the reheating step, it was possible to address the recrystallization of the drug either into form II or III. Moreover, it was observed that form III transforms either into form II or I depending on the preparation method. The physical characterization of the polymorphs was performed by means of micro-Fourier transform infrared spectroscopy (MFTIR) and powder X-ray diffractometry (PXRD), both temperature controlled

Solid-state characterization of paracetamol metastable polymorphs formed in binary mixtures with hydroxypropylmethylcellulose

Energy Technology Data Exchange (ETDEWEB)

Rossi, Alessandra; Savioli, Alessandra; Bini, Marcella; Capsoni, Doretta; Massarotti, Vincenzo; Bettini, Ruggero; Gazzaniga, Andrea; Sangalli, Maria Edvige; Giordano, Ferdinando

2003-11-28

Two metastable polymorphs of paracetamol (forms II and III) were prepared by appropriate thermal methods from binary mixtures containing 10% (w/w) of hydroxypropylmethylcellulose. By controlling the reheating step, it was possible to address the recrystallization of the drug either into form II or III. Moreover, it was observed that form III transforms either into form II or I depending on the preparation method. The physical characterization of the polymorphs was performed by means of micro-Fourier transform infrared spectroscopy (MFTIR) and powder X-ray diffractometry (PXRD), both temperature controlled.

Mesoscopic electrohydrodynamic simulations of binary colloidal suspensions

Science.gov (United States)

Rivas, Nicolas; Frijters, Stefan; Pagonabarraga, Ignacio; Harting, Jens

2018-04-01

A model is presented for the solution of electrokinetic phenomena of colloidal suspensions in fluid mixtures. We solve the discrete Boltzmann equation with a Bhatnagar-Gross-Krook collision operator using the lattice Boltzmann method to simulate binary fluid flows. Solvent-solvent and solvent-solute interactions are implemented using a pseudopotential model. The Nernst-Planck equation, describing the kinetics of dissolved ion species, is solved using a finite difference discretization based on the link-flux method. The colloids are resolved on the lattice and coupled to the hydrodynamics and electrokinetics through appropriate boundary conditions. We present the first full integration of these three elements. The model is validated by comparing with known analytic solutions of ionic distributions at fluid interfaces, dielectric droplet deformations, and the electrophoretic mobility of colloidal suspensions. Its possibilities are explored by considering various physical systems, such as breakup of charged and neutral droplets and colloidal dynamics at either planar or spherical fluid interfaces.

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

Science.gov (United States)

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

2015-11-05

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. Copyright © 2015 Elsevier B.V. All rights reserved.

Dynamic mean field theory for lattice gas models of fluid mixtures confined in mesoporous materials.

Science.gov (United States)

Edison, J R; Monson, P A

2013-11-12

We present the extension of dynamic mean field theory (DMFT) for fluids in porous materials (Monson, P. A. J. Chem. Phys. 2008, 128, 084701) to the case of mixtures. The theory can be used to describe the relaxation processes in the approach to equilibrium or metastable equilibrium states for fluids in pores after a change in the bulk pressure or composition. It is especially useful for studying systems where there are capillary condensation or evaporation transitions. Nucleation processes associated with these transitions are emergent features of the theory and can be visualized via the time dependence of the density distribution and composition distribution in the system. For mixtures an important component of the dynamics is relaxation of the composition distribution in the system, especially in the neighborhood of vapor-liquid interfaces. We consider two different types of mixtures, modeling hydrocarbon adsorption in carbon-like slit pores. We first present results on bulk phase equilibria of the mixtures and then the equilibrium (stable/metastable) behavior of these mixtures in a finite slit pore and an inkbottle pore. We then use DMFT to describe the evolution of the density and composition in the pore in the approach to equilibrium after changing the state of the bulk fluid via composition or pressure changes.

Performance analysis a of solar driven organic Rankine cycle using multi-component working fluids

DEFF Research Database (Denmark)

Baldasso, E.; Andreasen, J. G.; Modi, A.

2015-01-01

suitable control strategy and both the overall annual production and the average solar to electrical efficiency are estimated with an annual simulation. The results suggest that the introduction of binary working fluids enables to increase the solar system performance both in design and part-load operation....... cycle. The purpose of this paper is to optimize a low temperature organic Rankine cycle tailored for solar applications. The objective of the optimization is the maximization of the solar to electrical efficiency and the optimization parameters are the working fluid and the turbine inlet temperature...... and pressure. Both pure fluids and binary mixtures are considered as possible working fluids and thus one of the primary aims of the study is to evaluate whether the use of multi-component working fluids might lead to increased solar to electrical efficiencies. The considered configuration includes a solar...

The (gas + liquid) critical properties and phase behaviour of some binary alkanol (C2-C5) + alkane (C5-C12) mixtures

International Nuclear Information System (INIS)

Morton, David W.; Lui, Matthew P.W.; Young, Colin L.

2003-01-01

Previously, the investigation of the (gas + liquid) critical properties of (alkanol + alkane) mixtures has focussed on (primary alkanol + straight chain alkane) mixtures. The experimental data available for (alkanol + alkane) mixtures, which include secondary or tertiary alcohols and/or branched chain alkanes, are extremely limited. This work extends the existing body of data on (alkanol + alkane) mixtures to include mixtures containing these components. Here the (gas + liquid) critical temperatures of 29 {alkanol (C 2 -C 5 ) + alkane (C 5 -C 12 )} mixtures are reported. All the (gas + liquid) critical lines for the binary mixtures studied are continuous, indicating they obey either Type I or Type II phase behaviour

Recoil implantation reactions in binary mixtures of catcher complexes and in mixed ligand catchers

International Nuclear Information System (INIS)

Sekine, Tsutomu; Sano, Masaaki; Yoshihara, Kenji

1989-01-01

Recoil implantation reactions were studied in binary mixtures of catcher complexes of tris(β-diketonato)metal(III) and in single-component catcher complexes of Cr(acac) n (dbm) 3-n where n=1 and 2. For the mixtures of M(acac) 3 and M(dbm) 3 , the products of 51 Cr(acac) 3 and 51 Cr(dbm) 3 were obtained as major components while 51 Cr(acac) 2 (dbm) and 51 Cr(acac)(dbm) 2 were seen as minor components. For the single component catcher complexes, predominant chemical species were parent retention type compounds. In addition to retentions there were product distributions which indicated a strong preference for acac pickup. The results were interpreted by a model which involves displacement reaction as a main process and ligand pickup reactions as side processes. (orig.)

Transport properties of binary liquid mixtures - candidate solvents for optimized flue gas cleaning processes

Directory of Open Access Journals (Sweden)

Stanimirović Andrej M.

2016-01-01

Full Text Available Thermal conductivities and viscosities of three pure chemicals, monoethanol amine (MEA, tetraethylene glycol dimethyl ether (TEGDME and polyethylene glycol 200 (PEG 200 and two binary mixtures (MEA + + TEGDME and MEA + PEG 200 were measured at six temperatures: 298.15, 303.15, 308.15, 313.15, 318.15 and 323.15 K and atmospheric pressure. Measurement of thermal conductivities was based on a transient hot wire measurement setup, while viscosities were measured with a digital Stabinger SVM 3000/G2 viscometer. From these data, deviations in thermal conductivity and viscosity were calculated and fitted to the Redlich-Kister equation. Thermal conductivities of mixtures were correlated using Filippov, Jamieson, Baroncini and Rowley models, while viscosity data were correlated with the Eyring-UNIQUAC, Eyring-NRTL and McAlistermodels. [Projekat Ministarstva nauke Republike Srbije, br. 172063

Mixing process of a binary gas in a density stratified layer

Energy Technology Data Exchange (ETDEWEB)

Takeda, Tetsuaki [Japan Atomic Energy Research Inst., Oarai, Ibaraki (Japan). Oarai Research Establishment

1997-09-01

This study is to investigate the effect of natural convection on the mixing process by molecular diffusion in a vertical stratified layer of a binary fluid. There are many experimental and analytical studies on natural convection in the vertical fluid layer. However, there are few studies on natural convection with molecular diffusion in the vertical stratified layer of a binary gas. Experimental study has been performed on the combined phenomena of molecular diffusion and natural convection in a binary gas system to investigate the mixing process of the binary gas in a vertical slot consisting of one side heated and the other side cooled. The range of Rayleigh number based on the slot width was about 0 < Ra{sub d} < 7.5 x 10{sup 4}. The density change of the gas mixture and the temperature distribution in the slot was obtained and the mixing process when the heavier gas ingress into the vertical slot filled with the lighter gas from the bottom side of the slot was discussed. The experimental results showed that the mixing process due to molecular diffusion was affected significantly by the natural convection induced by the slightly temperature difference between both vertical walls even if a density difference by the binary gas is larger than that by the temperature difference. (author). 81 refs.

Correlation of dew- and bubble-point curves for binary refrigerant mixtures. [Correlation between dew-point pressure(saturated vapor state) and bubble-point pressure(saturated liquid state)]. Niseibunkei kongo reibai no roten oyobi futten kyokusen no sokan

Energy Technology Data Exchange (ETDEWEB)

Yada, N. (Kanagawa Institute of Technology, Kanagawa (Japan)); Watanabe, K. (Keio University, Tokyo (Japan). Faculty of Science and Technology)

1991-12-25

The paper makes a correlation expressing dew- and bubble-point curves using measured values for seven binary refrigerant freon-mixtures. In most binary systems at the same temperature, the pressure shows a different value between in a saturated vapor state (dew-point pressure) and in a saturated liquid state (bubble-point pressure). The target is such correlation as has as simple a function form as possible and is able to estimate even near the critical point where it used to be difficult to estimate. The pressure difference between measured values of the dew- and bubble-point pressure and values calculated from Raoult's law showing an ideal mixture of fluid is expressed by a simple function form of reduced temperature Tr and molar fraction. Tr is thermodynamic temperature/critical temperature. Reproducibility of this correlation is less than {plus minus}3% of the pressure deviation. Concerning also the arbitary composition range and near the critical point, the dew- and bubble-point pressure can be calculated accurately. 24 refs., 4 figs., 5 tabs.

Thermo-Economic and Heat Transfer Optimization of Working-Fluid Mixtures in a Low-Temperature Organic Rankine Cycle System

Directory of Open Access Journals (Sweden)

Oyeniyi A. Oyewunmi

2016-06-01

Full Text Available In the present paper, we consider the employment of working-fluid mixtures in organic Rankine cycle (ORC systems with respect to thermodynamic and heat-transfer performance, component sizing and capital costs. The selected working-fluid mixtures promise reduced exergy losses due to their non-isothermal phase-change behaviour, and thus improved cycle efficiencies and power outputs over their respective pure-fluid components. A multi-objective cost-power optimization of a specific low-temperature ORC system (operating with geothermal water at 98 °C reveals that the use of working-fluid-mixtures does indeed show a thermodynamic improvement over the pure-fluids. At the same time, heat transfer and cost analyses, however, suggest that it also requires larger evaporators, condensers and expanders; thus, the resulting ORC systems are also associated with higher costs. In particular, 50% n-pentane + 50% n-hexane and 60% R-245fa + 40% R-227ea mixtures lead to the thermodynamically optimal cycles, whereas pure n-pentane and pure R-245fa have lower plant costs, both estimated as having ∼14% lower costs per unit power output compared to the thermodynamically optimal mixtures. These conclusions highlight the importance of using system cost minimization as a design objective for ORC plants.

Radiation grafting from binary monomer mixtures. II. Vinyl ether of monoethanolamine and N-vinylpyrrolidone

International Nuclear Information System (INIS)

Nurkeeva, Zauresh S.; Abdel Aal, A.-S.; Kupchishin, Anatoliy I.; Khutoryanskiy, Vitaliy V.; Mun, Grigoriy A.; Beksyrgaeva, Aida G.

2003-01-01

Radiation grafting from binary monomer mixtures of vinyl ether of monoethanolamine and N-vinylpyrrolidone onto polyethylene films has been studied. The structure of the grafted films was characterized by FTIR spectroscopy. Water uptake and contact angle measurements confirmed that the grafting leads to a considerable hydrophilization of the films surface. The presence of the more active N-vinylpyrrolidone enhances the grafting of the less active vinyl ether of monoethanolamine. Sorption properties of grafted films with respect to copper (II) ions have been studied

Systems and Methods for Determining Water-Cut of a Fluid Mixture

KAUST Repository

Karimi, Muhammad Akram; Shamim, Atif; Arsalan, Muhammad

2017-01-01

Provided in some embodiments are systems and methods for measuring the water content (or water-cut) of a fluid mixture. Provided in some embodiments is a water-cut sensor system that includes a helical T-resonator, a helical ground conductor, and a

Systems and Methods for Determining Water-Cut of a Fluid Mixture

KAUST Repository

Karimi, Muhammad Akram; Shamim, Atif; Arsalan, Muhammad

2017-01-01

Provided in some embodiments are systems and methods for measuring the water content (or water-cut) of a fluid mixture. Provided in some embodiments is a water-cut sensor system that includes a T-resonator, a ground conductor, and a separator. The T

Improving geothermal power plants with a binary cycle

Science.gov (United States)

Tomarov, G. V.; Shipkov, A. A.; Sorokina, E. V.

2015-12-01

The recent development of binary geothermal technology is analyzed. General trends in the introduction of low-temperature geothermal sources are summarized. The use of single-phase low-temperature geothermal fluids in binary power plants proves possible and expedient. The benefits of power plants with a binary cycle in comparison with traditional systems are shown. The selection of the working fluid is considered, and the influence of the fluid's physicochemical properties on the design of the binary power plant is discussed. The design of binary power plants is based on the chemical composition and energy potential of the geothermal fluids and on the landscape and climatic conditions at the intended location. Experience in developing a prototype 2.5 MW Russian binary power unit at Pauzhetka geothermal power plant (Kamchatka) is outlined. Most binary systems are designed individually for a specific location. Means of improving the technology and equipment at binary geothermal power plants are identified. One option is the development of modular systems based on several binary systems that employ the heat from the working fluid at different temperatures.

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

Science.gov (United States)

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…

Volumetric properties of binary mixtures of N-ethylformamide with tetrahydrofuran, 2-butanone, and ethylacetate from T = (293.15 to 313.15) K

International Nuclear Information System (INIS)

Gadžurić, Slobodan; Nikolić, Aleksandar; Vraneš, Milan; Jović, Branislav; Damjanović, Marko; Dožić, Sanja

2012-01-01

Highlights: ► Densities of N-ethylformamide mixtures with ketones and esters were measured. ► Excess molar volumes were fitted to Redlich–Kister polynomial equation. ► Excess molar volumes are negative in the whole mole fraction range. ► Increase of the temperature has influence on N-ethylformamide self-association. ► Complex formation between the components was not observed. - Abstract: Densities of binary liquid mixtures of N-ethylformamide (NEF) with tetrahydrofuran (THF), 2-butanone (B), and ethylacetate (EA) were measured at temperatures from (293.15 to 313.15) K and at atmospheric pressure over the whole composition range. Excess molar volumes, V E , have been obtained from values of the experimental density and were fitted to the Redlich–Kister polynomial equation. The V E values for all three mixtures are negative over the entire composition and temperature ranges. The V E values become more negative as the temperature increases for all binary mixtures studied. Other volumetric properties, such as isobaric thermal expansion coefficients, partial molar volumes, apparent molar volumes, partial molar excess volumes and excess thermal expansions have been calculated.

Bubble-point and dew-point equation for binary refrigerant mixture R22-R142b

Energy Technology Data Exchange (ETDEWEB)

Liancheng Tan; Zhongyou Zhao; Yonghong Duan (Xi' an Jiaotong Univ., Xi' an (China). Dept. of Power Machinery Engineering)

1992-01-01

A bubble-point and dew-point equation (in terms either of temperature or of pressure is suggested for the refrigerant mixture R22-R142b), which is regarded as one of the alternatives to R12. This equation has been examined with experimental data. A modified Rackett equation for the calculation of the bubble-point volume is also proposed. Compared with the experimental data, the rms errors in the calculated values of the bubble-point temperature, the dew-point temperature, and the bubble-point volume are 1.093%, 0.947%, and 1.120%, respectively. The calculation covers a wide range of temperatures and pressures, even near the critical point. It is shown how the equations are extrapolated to calculate other binary refrigerant mixtures. (author)

Molecular investigation on the binding of Cd(II) by the binary mixtures of montmorillonite with two bacterial species

Energy Technology Data Exchange (ETDEWEB)

Du, Huihui; Qu, ChenChen; Liu, Jing; Chen, Wenli; Cai, Peng; Shi, Zhihua; Yu, Xiao-Ying; Huang, Qiaoyun

2017-10-01

Bacteria and phyllosilicate commonly coexist in the natural environment, producing various bacteria–clay complexes that are capable of immobilizing heavy metals, such as cadmium, via adsorption. However, the molecular binding mechanisms of heavy metals on these complex aggregates still remain poorly understood. This study investigated Cd adsorption on Gram-positive B. subtilis, Gram-negative P. putida and their binary mixtures with montmorillonite (Mont) using the Cd K-edge x-ray absorption spectroscopy (XAS) and isothermal titration calorimetry (ITC). We observed a lower adsorptive capacity for P. putida than B. subtilis, whereas P. putida–Mont and B. subtilis–Mont mixtures showed nearly identical Cd adsorption behaviors. EXAFS fits and ITC measurements demonstrated more phosphoryl binding of Cd in P. putida. The decreased coordination of C atoms around Cd and the reduced adsorption enthalpies and entropies for the binary mixtures compared to that for individual bacteria suggested that the bidentate Cd-carboxyl complexes in pure bacteria systems were probably transformed into monodentate complexes that acted as ionic bridging structure between bacteria and motmorillonite. This study clarified the binding mechanism of Cd at the bacteria–phyllosilicate interfaces from a molecular and thermodynamic view, which has an environmental significance for predicting the chemical behavior of trace elements in complex mineral–organic systems.

Osmotic properties of binary mixtures 1-butyl-1-methylpyrrolidinium dicyanamide and 1-methyl-3-octylimidazolium chloride with water: Effect of aggregation of ions

International Nuclear Information System (INIS)

Ahmed, Sayeed Ashique; Chatterjee, Aninda; Maity, Banibrata; Seth, Debabrata

2015-01-01

Graphical abstract: Osmotic properties of binary mixture of two ionic liquids (ILs): 1-butyl-1-methyl pyrrolidinium dicyanamide and 1-methyl-3-octylimidazolium chloride with water was reported by using vapour pressure osmometry (VPO) method. - Highlights: • Osmotic properties of binary mixture of ionic liquids (ILs) with water by using vapour pressure osmometry (VPO) method. • The experimental osmotic coefficients were well correlated by Archer extension of Pitzer model. • From the experimental osmotic coefficient data the critical micellar concentration (cmc) of the ILs in water was estimated. • Mean molar activity coefficient and the excess Gibbs free energy was determine for the (ILs + water) binary mixture. - Abstract: In this work, the osmotic properties of the binary mixture of ionic liquids (ILs) and water were studied by using vapour pressure osmometry (VPO) method. We have used two ILs: 1-butyl-1-methyl pyrrolidinium dicyanamide and 1-methyl-3-octylimidazolium chloride. The aqueous solution of NaCl was used as the reference solution to precisely measure the osmotic coefficients of the above systems. We have calculated the activity of water in the above systems and the change of vapour pressure of water due to the addition of ILs in water. The experimental osmotic coefficients were correlated by the Archer extension of Pitzer model. The parameters of this Archer extension of Pitzer model were found from this data fitting. From the experimental osmotic coefficient value we have estimated the critical micellar concentration (cmc) of ILs in water. The experimental values of osmotic coefficient in the above systems were compared with the literature and the reason of variation was explained, in terms of the aggregation of ILs in water

Development of a computational framework on fluid-solid mixture flow simulations for the COMPASS code

International Nuclear Information System (INIS)

Zhang, Shuai; Morita, Koji; Shirakawa, Noriyuki; Yamamoto, Yuichi

2010-01-01

The COMPASS code is designed based on the moving particle semi-implicit method to simulate various complex mesoscale phenomena relevant to core disruptive accidents of sodium-cooled fast reactors. In this study, a computational framework for fluid-solid mixture flow simulations was developed for the COMPASS code. The passively moving solid model was used to simulate hydrodynamic interactions between fluid and solids. Mechanical interactions between solids were modeled by the distinct element method. A multi-time-step algorithm was introduced to couple these two calculations. The proposed computational framework for fluid-solid mixture flow simulations was verified by the comparison between experimental and numerical studies on the water-dam break with multiple solid rods. (author)

Study of Molecular Interactions in Binary Liquid Mixtures by Acoustical Method at 303K

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P. Paul Divakar

2012-01-01

Full Text Available Ultrasonic velocity and density measurements were made in two binary liquid mixtures Isopropyl acetate (IPA and Isobutyl acetate (IBA with cyclohexanone (CY as a common component at 303K, at fixed frequency of 2MHz using single crystal variable path interferometer and specific gravity bottle respectively. The experimental data have been used to calculate the acoustic impedance, adiabatic compressibility, inter molecular free length and molar volume. The excess thermodynamic parameters have been evaluated and discussed in the light of molecular interactions.

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

International Nuclear Information System (INIS)

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. -- Highlights: •We propose the diffusion-stress coupling model for binary solidification. •The coupling arises at deep undercooling. •With diffusive dynamics, the models result in parabolic transfer equations. •With the wavelike dynamics, the models lead to hyperbolic transfer equations. •The coupling strongly affects the solute partition coefficient

Quantitative NMR spectroscopy of binary liquid mixtures (aldehyde + alcohol) Part I: Acetaldehyde + (methanol or ethanol or 1-propanol)

International Nuclear Information System (INIS)

Jaubert, Silke; Maurer, Gerd

2014-01-01

Highlights: • Formation of hemiacetal/poly(oxymethylene) hemiacetals in liquid binary mixtures. • Acetaldehyde and a low molecular alcohol (methanol or ethanol or 1-propanol). • Quantitative 13 C NMR spectroscopy at temperatures between (255 and 295) K. • Hemiacetals are the predominant species. • (Acetaldehyde + methanol (50 + 50)) at 255 K: hemiacetal (polymers) >80% (≈10%). -- Abstract: Aldehydes react with alcohols to hemiacetals and poly(oxymethylene) hemiacetals. The chemical reaction equilibria of such reactions, in particular in the liquid state, can have an essential influence on the thermodynamic properties and related phenomena like, for example, on the vapour + liquid phase equilibrium. Therefore, thermodynamic models that aim to describe quantitatively such phase equilibria have to consider the chemical reaction equilibrium in the coexisting phases. This is well known in the literature for systems such as, for example, formaldehyde and methanol. However, experimental information on the chemical reaction equilibria in mixtures with other aldehydes (than formaldehyde) and alcohols is extremely scarce. Therefore, quantitative NMR spectroscopy was used to investigate the chemical reaction equilibria in binary mixtures of acetaldehyde and a single alcohol (here either methanol, ethanol or 1-propanol) at temperatures between (255 and 295) K. The results reveal that the majority of the constituents of the mixture is present as hemiacetal and the first two poly(oxymethylene) hemiacetals: in an equimolar mixture of (acetaldehyde + methanol or ethanol or 1-propanol), between about 90% at T = 255 K and about 75% at 295 K. The mole-fraction based chemical reaction equilibrium constants for the formation of those species were determined and some derived properties are reported

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

Science.gov (United States)

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.

Modelling phase equilibria for acid gas mixtures using the CPA equation of state. Part VI. Multicomponent mixtures with glycols relevant to oil and gas and to liquid or supercritical CO_2 transport applications

International Nuclear Information System (INIS)

Tsivintzelis, Ioannis; Kontogeorgis, Georgios M.

2016-01-01

Highlights: • CPA EoS was applied to predict the phase behaviour of multicomponent mixtures containing CO_2, glycols, water and alkanes. • Mixtures relevant to oil and gas, CO_2 capture and liquid or supercritical CO_2 transport applications were investigated. • Results are presented using various modelling approaches/association schemes. • The predicting ability of the model was evaluated against experimental data. • Conclusions for the best modelling approach are drawn. - Abstract: In this work the Cubic Plus Association (CPA) equation of state is applied to multicomponent mixtures containing CO_2 with alkanes, water, and glycols. Various modelling approaches are used i.e. different association schemes for pure CO_2 (assuming that it is a non-associating compound, or that it is a self-associating fluid with two, three or four association sites) and different possibilities for modelling mixtures of CO_2 with other hydrogen bonding fluids (only use of one interaction parameter k_i_j or assuming cross association interactions and obtaining the relevant parameters either via a combining rule or using an experimental value for the cross association energy). Initially, new binary interaction parameters were estimated for (CO_2 + glycol) binary mixtures. Having the binary parameters from the binary systems, the model was applied in a predictive way (i.e. no parameters were adjusted to data on ternary and multicomponent mixtures) to model the phase behaviour of ternary and quaternary systems with CO_2 and glycols. It is concluded that CPA performs satisfactorily for most multicomponent systems considered. Some differences between the various modelling approaches are observed. This work is the last part of a series of studies, which aim to arrive in a single “engineering approach” for applying CPA to acid gas mixtures, without introducing significant changes to the model. An overall assessment, based also on the obtained results of this series (Tsivintzelis

Assessing interactions of binary mixtures of Penicillium mycotoxins (PMs) by using a bovine macrophage cell line (BoMacs)

Energy Technology Data Exchange (ETDEWEB)

Oh, Se-Young, E-mail: ohs@uoguelph.ca [Department of Animal Biosciences, Ontario Agriculture College (OAC), University of Guelph, Guelph, ON N1G 2W1 (Canada); Cedergreen, Nina [Department of Life Sciences, University of Copenhagen, Frederiksberg (Denmark); Yiannikouris, Alexandros [Alltech Inc., Nicholasville, KY (United States); Swamy, H.V.L.N. [Trouw Nutrition Pvt. Ltd. India, Karnataka State 560065 (India); Karrow, Niel A., E-mail: nkarrow@uoguelph.ca [Department of Animal Biosciences, Ontario Agriculture College (OAC), University of Guelph, Guelph, ON N1G 2W1 (Canada)

2017-03-01

Penicillium mycotoxins (PMs) are toxic contaminants commonly found as mixtures in animal feed. Therefore, it is important to investigate potential joint toxicity of PM mixtures. In the present study, we assessed the joint effect of binary combinations of the following PMs: citrinin (CIT), ochratoxin A (OTA), patulin (PAT), mycophenolic acid (MPA) and penicillic acid (PA) using independent action (IA) and concentration addition (CA) concepts. Previously published toxicity data (i.e. IC25; PM concentration that inhibited bovine macrophage (BoMacs) proliferation by 25%) were initially analyzed, and both concepts agreed that OTA + PA demonstrated synergism (p < 0.05), while PAT + PA showed antagonism (p < 0.05). When a follow-up dilution study was carried out using binary combinations of PMs at three different dilution levels (i.e. IC25, 0.5 ∗ IC25, 0.25 ∗ IC25), only the mixture of CIT + OTA at 0.5 ∗ IC25 was determined to have synergism by both IA and CA concepts with Model Deviation Ratios (MDRs; the ratio of predicted versus observed effect concentrations) of 1.4 and 1.7, respectively. The joint effect of OTA + MPA, OTA + PA and CIT + PAT complied with the IA concept, while CIT + PA, PAT + MPA and PAT + PA were better predicted with the CA over the IA concept. The present study suggests to test both IA and CA concepts using multiple doses when assessing risk of mycotoxin mixtures if the mode of action is unknown. In addition, the study showed that the tested PMs could be predicted by IA or CA within an approximate two-fold certainty, raising the possibility for a joint risk assessment of mycotoxins in food and feed. - Highlights: • We investigated the potential joint toxicity of Penicillium mycotoxin (PM) mixtures. • Independent action (IA) and concentration addition (CA) concepts were used. • 7 out of 10 mixtures followed joint toxicity described by IA or CA concepts. • Both concepts agreed that CIT + OTA mixture had synergistic interaction.

Assessing interactions of binary mixtures of Penicillium mycotoxins (PMs) by using a bovine macrophage cell line (BoMacs)

International Nuclear Information System (INIS)

Oh, Se-Young; Cedergreen, Nina; Yiannikouris, Alexandros; Swamy, H.V.L.N.; Karrow, Niel A.

2017-01-01

Penicillium mycotoxins (PMs) are toxic contaminants commonly found as mixtures in animal feed. Therefore, it is important to investigate potential joint toxicity of PM mixtures. In the present study, we assessed the joint effect of binary combinations of the following PMs: citrinin (CIT), ochratoxin A (OTA), patulin (PAT), mycophenolic acid (MPA) and penicillic acid (PA) using independent action (IA) and concentration addition (CA) concepts. Previously published toxicity data (i.e. IC25; PM concentration that inhibited bovine macrophage (BoMacs) proliferation by 25%) were initially analyzed, and both concepts agreed that OTA + PA demonstrated synergism (p < 0.05), while PAT + PA showed antagonism (p < 0.05). When a follow-up dilution study was carried out using binary combinations of PMs at three different dilution levels (i.e. IC25, 0.5 ∗ IC25, 0.25 ∗ IC25), only the mixture of CIT + OTA at 0.5 ∗ IC25 was determined to have synergism by both IA and CA concepts with Model Deviation Ratios (MDRs; the ratio of predicted versus observed effect concentrations) of 1.4 and 1.7, respectively. The joint effect of OTA + MPA, OTA + PA and CIT + PAT complied with the IA concept, while CIT + PA, PAT + MPA and PAT + PA were better predicted with the CA over the IA concept. The present study suggests to test both IA and CA concepts using multiple doses when assessing risk of mycotoxin mixtures if the mode of action is unknown. In addition, the study showed that the tested PMs could be predicted by IA or CA within an approximate two-fold certainty, raising the possibility for a joint risk assessment of mycotoxins in food and feed. - Highlights: • We investigated the potential joint toxicity of Penicillium mycotoxin (PM) mixtures. • Independent action (IA) and concentration addition (CA) concepts were used. • 7 out of 10 mixtures followed joint toxicity described by IA or CA concepts. • Both concepts agreed that CIT + OTA mixture had synergistic interaction.

The Monte Carlo dynamics of a binary Lennard-Jones glass-forming mixture

International Nuclear Information System (INIS)

Berthier, L; Kob, W

2007-01-01

We use a standard Monte Carlo algorithm to study the slow dynamics of a binary Lennard-Jones glass-forming mixture at low temperature. We find that the Monte Carlo approach is by far the most efficient way to simulate a stochastic dynamics since the relaxation is about 10 times faster than in Brownian dynamics and about 30 times faster than in stochastic dynamics. Moreover, the average dynamical behaviour of the system is in quantitative agreement with that obtained using Newtonian dynamics, apart from at very short times where thermal vibrations are suppressed. We show, however, that dynamic fluctuations quantified by four-point dynamic susceptibilities do retain a dependence on the microscopic dynamics, as recently predicted theoretically

Ultrasonic absorption and velocity dispersion of binary mixture liquid crystal MBBA/EBBA

International Nuclear Information System (INIS)

Choi, K.

1979-01-01

The effect of phase transitions and the partial magnetic alignment for liquid crystal molecules on the ultrasonic absorption and velocity dispersion has been investigated. The binary mixture of Shiff base liquid crystals MBBA/EBBA (55:45 mole %) showed anomalous ultrasonic absorption and velocity dispersion at eutectic (Tsub(m) = -20 0 C) and clearing point (Tsub(c) = 50 0 C) at the frequency range of 5 MHz, 10MHz, 15MHz and 30 MHz. The experimental data were analyzed in terms of relaxation time and Fixman theory. The anisotropy of the propagation velocity due to the magnetic alignment was about 0.9% (the deviation between velocities propagating parallel and perpendicular to the applied field). (author)

Glass transition behavior of octyl β-D-glucoside and octyl β-D-thioglucoside/water binary mixtures.

Science.gov (United States)

Ogawa, Shigesaburo; Asakura, Kouichi; Osanai, Shuichi

2010-11-22

The lyotropic behavior and glass-forming properties of octyl β-D-glucoside (C8Glu) and octyl β-D-thioglucoside (C8SGlu)/water binary mixtures were evaluated using differential scanning calorimetry (DSC) and polarizing optical microscopy (POM). The results clearly indicate that the mixture forms a glass in the supercooling state of liquid crystalline phases such as cubic, lamellar, and smectic. The glass transition temperature (T(g)) of the mixture was strongly dependent on solute concentration, with a higher concentration correlating with a higher T(g). The experimental T(g) was consistent with the predicted value calculated using the Couchman-Karasz equation in both the C8Glu and C8SGlu/water mixtures. The change of heat capacity at T(g) showed the two bending points under variation of concentrations. And the highest temperature of phase transition from lamellar to isotropic solution was observed at around 50% molar concentration. It was expected that non-percolated state of water existed in extremely higher concentration ranges. Copyright © 2010 Elsevier Ltd. All rights reserved.

Effect of phase behavior, density, and isothermal compressibility on the constant-volume heat capacity of ethane + n-pentane mixed fluids in different phase regions

International Nuclear Information System (INIS)

Mu, Tiancheng; Liu, Zhimin; Han, Buxing.; Li, Zhonghao; Zhang, Jianling; Zhang, Xiaogang

2003-01-01

The phase behavior, density, and constant-volume molar heat capacity (C v,m ) of ethane + n-pentane binary mixtures have been measured in the supercritical region and subcritical region at T=309.45 K. In addition, the isothermal compressibility (κ T ) has been calculated using the density data determined. For a mixed fluid with a composition close to the critical composition, C v,m and κ T increase sharply as the pressure approaches the critical point (CP), the dew point (DP), or the bubble point (BP). However, C v,m is not sensitive to pressure in the entire pressure range if the composition of the mixed fluid is far from the critical composition. To tune the properties of the binary mixtures effectively by pressure, both the composition and the pressure should be close to the critical point of the mixture. The intermolecular interactions in the mixture are also discussed on the basis of the experimental results

Enthalpies of solution of ampicillin, amoxycillin and their binary mixtures at 310.15 K.

Science.gov (United States)

Jain, D V; Kashid, N; Kapoor, S; Chadha, R

2000-05-15

Enthalpies of solutions of ampicillin, amoxycillin and their binary mixtures have been determined at pH 2, 5, and 7 using C-80 calorimeter. The systems showed endothermic behaviour; molar enthalpies of solutions of ampicillin were determined to be 13.32, 15.89 and 23.21 kJ mol(-1) and amoxycillin were 16.32, 18.45 and 26. 25 kJ mol(-1) at pH 2, 5, and 7, respectively. The excess molar enthalpies of solution have also been calculated to find any interaction between these two drugs.

Experimental determination and prediction of liquid-solid equilibria for binary (methyl palimitate + naphthalene mixture

Directory of Open Access Journals (Sweden)

Benziane M.

2013-07-01

Full Text Available Solid-liquid equilibria for binary mixtures of {Methyl palmitate (1 + Naphthalene (2} were measured using differential scanning calorimeter (DSC. Simple eutectic behaviours for this system are observed. The experimental results were correlated by means of the NRTL, Wilson, UNIQUAC and ideal models. The root-mean-square deviations of the solubility temperatures for all measured data vary from 0.5477 K (for UNIQUAC model to 3.34K; the deviation depend on the model used. The best solubility correlation was obtained with UNIQUAC model and this observation confirms previous results.

Thermodynamic behavior of binary mixtures CnMpyNTf2 ionic liquids with primary and secondary alcohols

International Nuclear Information System (INIS)

Calvar, N.; Gómez, E.; Domínguez, Á.; Macedo, E.A.

2012-01-01

Highlights: ► Osmotic coefficients of alcohols with C n MpyNTf 2 (n = 2, 3, 4) are determined. ► Experimental data were correlated with Extended Pitzer model of Archer and MNRTL. ► Mean molal activity coefficients and excess Gibbs free energies were calculated. ► The results have been interpreted in terms of interactions. - Abstract: In this paper, the osmotic and activity coefficients and vapor pressures of the binary mixtures containing the ionic liquids 1-ethyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide, C 2 MpyNTf 2 , and 1-methyl-3-propylpyridinium bis(trifluoromethylsulfonyl)imide, C 3 MpyNTf 2 , with 1-propanol, or 2-propanol and the ionic liquid 1-butyl-3-methylpyridinium bis(trifluoromethylsulfonyl)imide, C 4 MpyNTf 2 , with 1-propanol or 2-propanol or 1-butanol or 2-butanol were determined at T = 323.15 K using the vapor pressure osmometry technique. The influence of the structure of the alcohol and of the ionic liquid on both coefficients and vapor pressures is discussed and a comparison with literature data on binary mixtures containing ionic liquids with different cations and anion is also performed. Besides, the results have been interpreted in terms of solute–solvent and ion–ion interactions. The experimental osmotic coefficients were correlated using the Extended Pitzer model of Archer and the Modified Non-Random Two Liquids model obtaining standard deviations lower than 0.059 and 0.102 respectively, and the mean molal activity coefficients and the excess Gibbs free energy for the studied mixtures were calculated.

Ion-molecule reactions in the binary mixture of ethylene oxide and trioxane, 2

International Nuclear Information System (INIS)

Kumakura, Minoru; Arakawa, Kazuo; Sugiura, Toshio.

1978-01-01

The ion-molecule reactions in the binary mixture of ethylene oxide and trioxane have been studied with use of a modified time-of-flight mass spectrometer. As cross-reaction product ions, C 3 H 5 O 2 + , C 3 H 6 O 2 +sup(, and C**3**H**7**O**2**)+sup( were observed under the conditions of long delay times and elevated pressure. It was found that these ions are formed by the dissociation of unstable intermediate-complex resulting from the reaction of ethylene oxide molecular ion with trioxane. It was proposed that the complex is of cyclic structure in which positive charge is delocalized. From the consideration of isotopic distribution of the product ions in ethylene-d**4** oxide-trioxane mixtures, the skeletal structures of the product ions were investigated. The rate constants of the formation reactions of C**3**H**5**O**2**)+sup(, C**3**H**6**O**2**)+sup(, and C**3**H**7**O**2**)+sup( in ethylene oxide-trioxane mixtures were found to be 2.20 x 10)-10sup(, 2.61 x 10)-10sup(, and 1.74 x 10)-10sup( cm)3sup( molecule)-1sup(s)-1 , respectively. (auth.)

Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

International Nuclear Information System (INIS)

Czaja, MaIgorzata; Kozak, Anna; Makowski, Mariusz; Chmurzynski, Lech

2005-01-01

By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K a (HA), cationic acid, K a (BH + ), of anionic and cationic homoconjugation, K AHA - andK BHB + , respectively, and of molecular heteroconjugation, K AHB (K BHA ), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK a (HA) and pK a (BH + ), as well as lgK AHA - values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity

Separation of toluene from n-heptane by liquid–liquid extraction using binary mixtures of [bpy][BF4] and [4bmpy][Tf2N] ionic liquids as solvent

International Nuclear Information System (INIS)

García, Silvia; Larriba, Marcos; García, Julián; Torrecilla, José S.; Rodríguez, Francisco

2012-01-01

Highlights: ► Binary mixtures of ionic liquids as extraction solvents of aromatics. ► [4bmpy][Tf 2 N] shows higher capacity but lower selectivity than sulfolane. ► [bpy][BF 4 ] shows lower capacity but higher selectivity than sulfolane. ► Mixed {[4bmpy][Tf 2 N] + [bpy][BF 4 ]} improves both extractive properties. - Abstract: The use of binary mixture of ionic liquids N-butylpyridinium tetrafluoroborate ([bpy][BF 4 ]), and 1-butyl-4-methylpyridinium bis(trifluoromethylsulfonyl)imide ([4bmpy][Tf 2 N]) in the liquid–liquid extraction of toluene from n-heptane has been investigated at 313.2 K and atmospheric pressure. The experimental capacity of extraction and selectivity for this binary mixture has proved to be intermediate to those corresponding to the pure ionic liquids, and they can be predicted using a logarithmic–linear model of solubility. Furthermore, the results showed that the use of binary mixture of {[bpy][BF 4 ] + [4bmpy][Tf 2 N]} at a mole solvent composition around 0.7 for [bpy][BF 4 ] improves both the capacity of extraction of toluene and the selectivity with respect to those of sulfolane, the organic solvent taken as a benchmark. Thus, this mixed ionic liquid could be likely to be used in the extraction of aromatic from aliphatic in replacement to sulfolane.

On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction

Energy Technology Data Exchange (ETDEWEB)

Carareto, Natália D.D. [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil); Santos, Adenílson O. dos [Social Sciences, Health and Technology Center, University of Maranhão, UFMA, CEP 65900-410 Imperatriz, MA (Brazil); Rolemberg, Marlus P. [Institute of Science and Technology, University of Alfenas, UNIFAL, Rodovia José AurélioVilela, CEP 37715400 Poços de Caldas, MG (Brazil); Cardoso, Lisandro P. [Institute of Physics GlebWataghin, University of Campinas, UNICAMP, C.P. 6165, CEP 13083-970 Campinas, SP (Brazil); Costa, Mariana C. [School of Applied Science, University of Campinas, UNICAMP, CEP 13484-350 Limeira, SP (Brazil); Meirelles, Antonio J.A., E-mail: tomze@fea.unicamp.br [EXTRAE, Department of Food Engineering, Food Engineering Faculty, University of Campinas, UNICAMP, CEP 13083-862 Campinas, SP (Brazil)

2014-08-10

Highlights: • SLE of binary mixtures of saturated fatty alcohols was studied. • Experimental data were obtained using DSC and stepscan DSC. • Microscopy and X-ray diffraction used as complementary techniques. • Systems presented eutectic, peritectic and metatectic points. - Abstract: The solid–liquid phase diagrams of the following binary mixtures of even saturated fatty alcohols are reported in the literature for the first time: 1-octanol (C8OH) + 1-decanol (C10OH), 1-decanol + 1-dodecanol (C12OH), 1-dodecanol + 1-hexadecanol (C16OH) and 1-tetradecanol (C14OH) + 1-octadecanol (C18OH). The phase diagrams were obtained by differential scanning calorimetry (DSC) using a linear heating rate of 1 K min{sup −1} and further investigated by using a stepscan DSC method. X-ray diffraction (XRD) and polarized light microscopy were also used to complement the characterization of the phase diagrams which have shown a complex global behavior, presenting not only peritectic and eutectic reactions, but also the metatectic reaction and partial immiscibility on solid state.

On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction

International Nuclear Information System (INIS)

Carareto, Natália D.D.; Santos, Adenílson O. dos; Rolemberg, Marlus P.; Cardoso, Lisandro P.; Costa, Mariana C.; Meirelles, Antonio J.A.

2014-01-01

Highlights: • SLE of binary mixtures of saturated fatty alcohols was studied. • Experimental data were obtained using DSC and stepscan DSC. • Microscopy and X-ray diffraction used as complementary techniques. • Systems presented eutectic, peritectic and metatectic points. - Abstract: The solid–liquid phase diagrams of the following binary mixtures of even saturated fatty alcohols are reported in the literature for the first time: 1-octanol (C8OH) + 1-decanol (C10OH), 1-decanol + 1-dodecanol (C12OH), 1-dodecanol + 1-hexadecanol (C16OH) and 1-tetradecanol (C14OH) + 1-octadecanol (C18OH). The phase diagrams were obtained by differential scanning calorimetry (DSC) using a linear heating rate of 1 K min −1 and further investigated by using a stepscan DSC method. X-ray diffraction (XRD) and polarized light microscopy were also used to complement the characterization of the phase diagrams which have shown a complex global behavior, presenting not only peritectic and eutectic reactions, but also the metatectic reaction and partial immiscibility on solid state

Essential Oils of Hyptis pectinata Chemotypes: Isolation, Binary Mixtures and Acute Toxicity on Leaf-Cutting Ants.

Science.gov (United States)

Feitosa-Alcantara, Rosana B; Bacci, Leandro; Blank, Arie F; Alves, Péricles B; Silva, Indira Morgana de A; Soares, Caroline A; Sampaio, Taís S; Nogueira, Paulo Cesar de L; Arrigoni-Blank, Maria de Fátima

2017-04-12

Leaf-cutting ants are pests of great economic importance due to the damage they cause to agricultural and forest crops. The use of organosynthetic insecticides is the main form of control of these insects. In order to develop safer technology, the objective of this work was to evaluate the formicidal activity of the essential oils of two Hyptis pectinata genotypes (chemotypes) and their major compounds on the leaf-cutting ants Acromyrmex balzani Emery and Atta sexdens rubropilosa Forel. Bioassays of exposure pathways (contact and fumigation) and binary mixtures of the major compounds were performed. The major compounds identified in the essential oils of H. pectinata were β-caryophyllene, caryophyllene oxide and calamusenone. The essential oils of H. pectinata were toxic to the ants in both exposure pathways. Essential oils were more toxic than their major compounds alone. The chemotype calamusenone was more toxic to A. balzani in both exposure pathways. A. sexdens rubropilosa was more susceptible to the essential oil of the chemotype β-caryophyllene in both exposure pathways. In general, the binary mixtures of the major compounds resulted in additive effect of toxicity. The essential oils of H. pectinata is a raw material of great potential for the development of new insecticides.

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

DEFF Research Database (Denmark)

Keiter, Susanne; Baumann, Lisa; Farber, H

2012-01-01

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...

Experimental and theoretical excess molar enthalpies of ternary and binary mixtures containing 2-Methoxy-2-Methylpropane, 1-propanol, heptane

International Nuclear Information System (INIS)

Mato, Marta M.; Cebreiro, Susana M.; Paz Andrade, María Inmaculada; Legido, José Luis

2013-01-01

Highlights: • Experimental enthalpies for the ternary system MTBE + propanol + heptane were measured. • No experimental ternary values were found in the currently available literature. • Experimental enthalpies for the binary system propanol + heptane were measured. • Excess molar enthalpies are positive over the whole range of composition. • The ternary contribution is also positive, and the representation is asymmetric. -- Abstract: Excess molar enthalpies, at the temperature of 298.15 K and atmospheric pressure, have been measured for the ternary system {x 1 2-Methoxy-2-Methylpropane (MTBE) + x 2 1-propanol + (1 − x 1 − x 2 ) heptane}, over the whole composition range. Also, experimental data of excess molar enthalpy for the involved binary mixture {x 1-propanol + (1 − x) heptane} at the 298.15 K and atmospheric pressure, are reported. We are not aware of any previous experimental measurement of excess enthalpy in the literature for the ternary system presented in this study. Values of the excess molar enthalpies were measured using a Calvet microcalorimeter. The ternary contribution to the excess enthalpy was correlated with the equation due to Morris et al. (1975) [15], and the equation proposed by Myers–Scott (1963) [14] was used to fitted the experimental binary mixture measured in this work. Additionally, the experimental results are compared with the estimations obtained by applying the group contribution model of UNIFAC, in the versions of Larsen et al. (1987) [16] and Gmehling et al. (1993) [17]. Several empirical expressions for estimating ternary properties from binary results were also tested

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

Science.gov (United States)

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.

Onset of oscillatory binary fluid convection in three-dimensional cells

Energy Technology Data Exchange (ETDEWEB)

Alonso, Arantxa; Batiste, Oriol [Universitat Politecnica de Catalunya, Departament de Fisica Aplicada, Barcelona (Spain)

2004-11-01

The purpose of this work is to investigate the influence of the transverse walls on the onset of convection in a horizontal rectangular cavity of infinite length filled with a binary mixture when heated from below. For the first time we take into account the effect of the third dimension without making any approximation and considering realistic boundary conditions. In previous numerical works the width of the cell was either taken to be infinity (bulk mixtures) or different approximations usually valid in the narrow cell limit were assumed (i.e., Hele-Shaw and non-ideal Hele-Shaw approximations). The results we find show that the presence of the walls has a considerable effect on the onset of convection even for intermediate transverse aspect ratio cells. They also show that the approximations generally assumed fail to reproduce the correct behaviour of the critical parameters in an important range of aspect ratio values when the primary bifurcation is oscillatory. We have compared the critical values of the Rayleigh number and the frequency with those reported in the literature (Ohlsen et al. [1]) and we find a quantitative agreement within the experimental error. (orig.)

Heat transfer degradation during condensation of non-azeotropic mixtures

Science.gov (United States)

Azzolin, M.; Berto, A.; Bortolin, S.; Del, D., Col

2017-11-01

International organizations call for a reduction of the HFCs production and utilizations in the next years. Binary or ternary blends of hydroflourocarbons (HFCs) and hydrofluoroolefins (HFOs) are emerging as possible substitutes for high Global Warming Potential (GWP) fluids currently employed in some refrigeration and air-conditioning applications. In some cases, these mixtures are non-azeotropic and thus, during phase-change at constant pressure, they present a temperature glide that, for some blends, can be higher than 10 K. Such temperature variation during phase change could lead to a better matching between the refrigerant and the water temperature profiles in a condenser, thus reducing the exergy losses associated with the heat transfer process. Nevertheless, the additional mass transfer resistance which occurs during the phase change of zeotropic mixtures leads to a heat transfer degradation. Therefore, the design of a condenser working with a zeotropic mixture poses the problem of how to extend the correlations developed for pure fluids to the case of condensation of mixtures. Experimental data taken are very helpful in the assessment of design procedures. In the present paper, heat transfer coefficients have been measured during condensation of zeotropic mixtures of HFC and HFO fluids. Tests have been carried out in the test rig available at the Two Phase Heat Transfer Lab of University of Padova. During the condensation tests, the heat is subtracted from the mixture by using cold water and the heat transfer coefficient is obtained from the measurement of the heat flux on the water side, the direct measurements of the wall temperature and saturation temperature. Tests have been performed at 40°C mean saturation temperature. The present experimental database is used to assess predictive correlations for condensation of mixtures, providing valuable information on the applicability of available models.

Performance of an organic Rankine cycle with multicomponent mixtures

International Nuclear Information System (INIS)

Chaitanya Prasad, G.S.; Suresh Kumar, C.; Srinivasa Murthy, S.; Venkatarathnam, G.

2015-01-01

There is a renewed interest in ORC (organic Rankine cycle) systems for power generation using solar thermal energy. Many authors have studied the performance of ORC with different pure fluids as well as binary zeotropic mixtures in order to improve the thermal efficiency. It has not been well appreciated that zeotropic mixtures can also be used to reduce the size and cost of an ORC system. The main objective of this paper is to present mixtures that help reduce the cost while maintaining high thermal efficiency. The proposed method also allows us to design an optimum mixture for a given expander. This new approach is particularly beneficial for designing mixtures for small ORC systems operating with solar thermal energy. A number of examples are presented to demonstrate this concept. - Highlights: • The performance of an ORC operating with different zeotropic multicomponent mixtures is presented. • A thermodynamic method is proposed for the design of multicomponent mixtures for ORC power plants. • High exergy efficiency as well as high volumetric expander work can be achieved with appropriate mixtures. • The method allows design of mixtures that can be used with off-the-shelf positive displacement expanders

Antagonism in the extraction of uranium(VI) by the binary mixture of PC88A and benzimidazole

International Nuclear Information System (INIS)

Mukherjee, A.; Kamila, S.; Chakravortty, V.

1999-01-01

Extraction studies of uranium(VI) by the binary mixture of PC88A and benzimidazole show an antagonistic behavior in the concentration range 10 -5 -10 -6 M of PC88A and 0.005M of benzimidazole. Antagonism is observed due to the deprotonation of PC88A by benzimidazole forming an adduct resulting in the virtual removal of PC88A from the system. (author)

Sedimentation stacking diagram of binary colloidal mixtures and bulk phases in the plane of chemical potentials

International Nuclear Information System (INIS)

Heras, Daniel de las; Schmidt, Matthias

2015-01-01

We give a full account of a recently proposed theory that explicitly relates the bulk phase diagram of a binary colloidal mixture to its phase stacking phenomenology under gravity (de las Heras and Schmidt 2013 Soft Matter 9 8636). As we demonstrate, the full set of possible phase stacking sequences in sedimentation-diffusion equilibrium originates from straight lines (sedimentation paths) in the chemical potential representation of the bulk phase diagram. From the analysis of various standard topologies of bulk phase diagrams, we conclude that the corresponding sedimentation stacking diagrams can be very rich, even more so when finite sample height is taken into account. We apply the theory to obtain the stacking diagram of a mixture of nonadsorbing polymers and colloids. We also present a catalog of generic phase diagrams in the plane of chemical potentials in order to facilitate the practical application of our concept, which also generalizes to multi-component mixtures. (paper)

A thermodynamically consistent model for granular-fluid mixtures considering pore pressure evolution and hypoplastic behavior

Science.gov (United States)

Hess, Julian; Wang, Yongqi

2016-11-01

A new mixture model for granular-fluid flows, which is thermodynamically consistent with the entropy principle, is presented. The extra pore pressure described by a pressure diffusion equation and the hypoplastic material behavior obeying a transport equation are taken into account. The model is applied to granular-fluid flows, using a closing assumption in conjunction with the dynamic fluid pressure to describe the pressure-like residual unknowns, hereby overcoming previous uncertainties in the modeling process. Besides the thermodynamically consistent modeling, numerical simulations are carried out and demonstrate physically reasonable results, including simple shear flow in order to investigate the vertical distribution of the physical quantities, and a mixture flow down an inclined plane by means of the depth-integrated model. Results presented give insight in the ability of the deduced model to capture the key characteristics of granular-fluid flows. We acknowledge the support of the Deutsche Forschungsgemeinschaft (DFG) for this work within the Project Number WA 2610/3-1.

Applications of the Simple Multi-Fluid Model to Correlations of the Vapor-Liquid Equilibrium of Refrigerant Mixtures Containing Carbon Dioxide

Science.gov (United States)

Akasaka, Ryo

This study presents a simple multi-fluid model for Helmholtz energy equations of state. The model contains only three parameters, whereas rigorous multi-fluid models developed for several industrially important mixtures usually have more than 10 parameters and coefficients. Therefore, the model can be applied to mixtures where experimental data is limited. Vapor-liquid equilibrium (VLE) of the following seven mixtures have been successfully correlated with the model: CO2 + difluoromethane (R-32), CO2 + trifluoromethane (R-23), CO2 + fluoromethane (R-41), CO2 + 1,1,1,2- tetrafluoroethane (R-134a), CO2 + pentafluoroethane (R-125), CO2 + 1,1-difluoroethane (R-152a), and CO2 + dimethyl ether (DME). The best currently available equations of state for the pure refrigerants were used for the correlations. For all mixtures, average deviations in calculated bubble-point pressures from experimental values are within 2%. The simple multi-fluid model will be helpful for design and simulations of heat pumps and refrigeration systems using the mixtures as working fluid.

Liquid--vapor isotope fractionation factors in argon--krypton binary mixtures

International Nuclear Information System (INIS)

Lee, M.W.; Neufeld, P.; Bigeleisen, J.

1977-01-01

An equilibrium isotope effect has been studied as a continuous function of the potential field acting on the atom undergoing isotopic exchange. This has been accomplished through a study of the liquid vapor isotope fractionation factors for both, 36 Ar/ 40 Ar and 80 Kr/ 84 Kr in a series of binary mixtures which span the range between the pure components at 117.5 0 K. The 36 Ar/ 40 Ar fractionation factor increases (linearly) from (lnα)2.49 x 10 -3 in pure liquid argon to 2.91 x 10 -3 in an infinitely dilute solution in liquid krypton. Conversely, the 80 Kr/ 84 Kr fractionation factor decreases (linearly) from (lnα)0.98 x 10 -3 in pure liquid krypton to 0.64 x 10 -3 in an infinetely dilute solution in pure liquid argon. The mean force constants 2 U>/sub c/ on both argon and krypton atoms in the mixtures are derived from the respective isotope fractionation factors.The mean force constants for argon and krypton as a function of composition have been calculated by a modified corresponding states theory which uses the pure liquids as input parameters. The discrepancy is 8 percent at X/sub Ar/ + O. A systematic set of calculations has been made of 2 U> (Ar) and 2 U> (Kr) as a function of composition using radial distribution functions generated by the Weeks--Chandler--Anderson perturbation theory

Very low velocity ion slowing down in binary ionic mixtures: Charge- and mass-asymmetry effects

Directory of Open Access Journals (Sweden)

Patrice Fromy

2010-10-01

Full Text Available A binary ionic mixture (BIM in dense and hot plasmas of specific concern for inertial confinement fusion and white dwarf crust is considered as a target for incoming light ions with a velocity smaller than the thermal electron one. The given target stopping power, mostly BIM monitored, is specifically studied in terms of charge and mass asymmetry in its ionic component. The classical plasma target is worked out within a dielectric framework, and scanned with respect to density, temperature, and BIM composition.

Density, viscosity and excess molar volume of binary mixtures of tri-n-octylamine + diluents (n-heptane, n-octane, n-nonane, and n-decane) at various temperatures

International Nuclear Information System (INIS)

Fang, Sheng; Zuo, Xiao-Bo; Xu, Xue-Jiao; Ren, Da-Hai

2014-01-01

Highlights: • Densities and viscosities of tri-n-octylamine + n-heptane, +n-octane, +n-nonane, or +n-decane are determined. • The excess molar volume is calculated. • The Grunberg and Nissan equation and Fang and He equation are used to correlate the binary viscosities. -- Abstract: Densities (ρ) and viscosities (η) for binary mixtures of tri-n-octylamine (TOA) + n-heptane, TOA + n-octane, TOA + n-nonane, and TOA + n-decane are determined at T (283.15, 293.15, and 303.15) K and atmospheric pressure. The excess molar volume is calculated from the density data and is correlated by a Redlich–Kister type equation. The excess molar volume is negative for all the four systems. The results show that the volume accommodation effect is predominant in these systems. The Grunberg and Nissan equation and Fang and He equation for binary mixtures are used to correlate the experimental viscosity data. The Fang and He equation gives an average absolute deviation (AAD%) of 0.8% for TOA with alkane mixtures, better than that of 3.8% given by the Grunberg and Nissan equation

Solubility of Stevioside and Rebaudioside A in water, ethanol and their binary mixtures

Directory of Open Access Journals (Sweden)

Liliana S. Celaya

2016-10-01

Full Text Available In order to investigate the solubility of Stevioside and Rebaudioside A in different solvents (ethanol, water, ethanol:water 30:70 and ethanol:water 70:30, supersaturated solutions of pre-crystalized steviol glycosides were maintained at different temperatures (from 5 °C to 50 °C to reach equilibrium. Under these conditions significant differences were found in the extent of solubility. Rebaudioside A was poorly soluble in ethanol and water, and Stevioside was poorly soluble in water. Solvent mixtures more effectively promoted solubilisation, and a significant effect of temperature on solubility was observed. The two steviol glycosides showed higher solubilities and this behavior was promoted by the presence of the other sweetener. The polarity indices of the solvents were determined, and helped to explain the observed behavior. Several solute-solvent and solute-solute interactions can occur, along with the incidence of a strong affinity between solvents. The obtained results are in accordance with technological applications of ethanol, water and their binary mixtures for Stevioside and Rebaudioside A separations.

Thermodynamic properties of binary mixtures of tetrahydropyran with pyridine and isomeric picolines: Excess molar volumes, excess molar enthalpies and excess isentropic compressibilities

International Nuclear Information System (INIS)

Saini, Neeti; Jangra, Sunil K.; Yadav, J.S.; Sharma, Dimple; Sharma, V.K.

2011-01-01

Research highlights: → Densities, ρ and speeds of sound, u of tetrahydropyran (i) + pyridine or α-, β- or γ-picoline (j) binary mixtures at 298.15, 303.15 and 308.15 K and excess molar enthalpies, H E of the same set of mixtures at 308.15 K have been measured as a function of composition. → The observed densities and speeds of sound values have been employed to determine excess molar volumes, V E and excess isentropic compressibilities, κ S E . → Topology of the constituents of mixtures has been utilized (Graph theory) successfully to predict V E , H E and κ S E data of the investigated mixtures. → Thermodynamic data of the various mixtures have also been analyzed in terms of Prigogine-Flory-Patterson (PFP) theory. - Abstract: Densities, ρ and speeds of sound, u of tetrahydropyran (i) + pyridine or α-, β- or γ- picoline (j) binary mixtures at 298.15, 303.15 and 308.15 K and excess molar enthalpies, H E of the same set of mixtures at 308.15 K have been measured as a function of composition using an anton Parr vibrating-tube digital density and sound analyzer (model DSA 5000) and 2-drop micro-calorimeter, respectively. The resulting density and speed of sound data of the investigated mixtures have been utilized to predict excess molar volumes, V E and excess isentropic compressibilities, κ S E . The observed data have been analyzed in terms of (i) Graph theory; (ii) Prigogine-Flory-Patterson theory. It has been observed that V E , H E and κ S E data predicted by Graph theory compare well with their experimental values.

Properties of L-ascorbic acid in water and binary aqueous mixtures of D-glucose and D-fructose at different temperatures

Science.gov (United States)

Sharma, Ravi; Thakur, R. C.; Sani, Balwinder; Kumar, Harsh

2017-12-01

Using density and sound velocity partial molar volumes, partial molar adiabatic compressibilities, partial molar expansibilities and structure of L-ascorbic acid have been determined in water and aqueous mixtures of D-glucose and D-fructose at different concentrations and temperatures. Masson's equation was used to analyze the measured data. The obtained parameters have been interpreted in terms of solute-solute and solute-solvent interactions. It is found that the L-ascorbic acid acts as structure breaker in water as well in binary studied mixtures.

Solubility of disodium cytidine 5′-monophosphate in different binary mixtures from 288.15 K to 313.15 K

International Nuclear Information System (INIS)

Yu, Jin; Ma, Tianle; Li, An; Chen, Xiaochun; Chen, Yong; Xie, Jingjing; Wu, Jinglan; Ying, Hanjie

2013-01-01

Highlights: • Solubility of 5′-CMPNa 2 in different systems was measured the first time. • Experimental data were correlated by CNIBS/Redlich–Kister model and Apelblat model. • Good agreement has been observed between the calculated and the experimental data. • Enthalpy and entropy were calculated by the van’t Hoff equation and Gibbs equation. - Abstract: The solubility of disodium cytidine 5′-monophosphate (5′-CMPNa 2 ) in methanol + water and ethanol + water binary mixtures was measured experimentally at the temperatures ranging from 288.15 to 313.15 K. The results showed that the solubility of 5′-CMPNa 2 increased with the increasing of temperature and the mole fraction of water in different binary mixtures. The (CNIBS)/Redlich–Kister model and the semi-empirical Apelblat model were applied for the prediction of the experimental data. Both models could give satisfactory simulation results. In addition, the thermodynamic properties of the dissolution process such as Gibbs energy, enthalpy, and entropy were calculated using the van’t Hoff equation and the Gibbs equation. The results indicated that the dissolution process was endothermic

Dielectric dispersion and thermodynamic behavior of stearic acid binary mixtures with alcohol as co-solvent using time domain reflectometry

Directory of Open Access Journals (Sweden)

M. Maria Sylvester

2017-08-01

Full Text Available Dielectric permittivity and relaxation dynamics of binary and ternary mixture of stearic acid on various concentration and their thermodynamic effects are studied. The static dielectric constant (ε0, dielectric permittivity (ε′ and dielectric loss (ε′′ are found by bilinear calibration. The relaxation time (τ, dielectric strength (Δε and the excess permittivity (εE are found. The thermodynamic parameters such as enthalpy (ΔH, entropy (ΔS and Gibb’s free energy (ΔG are evolved. The significant changes in dielectric parameters are due to the intramolecular and intermolecular interactions in response to the applied frequency. The permittivity spectra of stearic acid–alcohol in the frequency range of 10MHz to 30GHz have been measured using picoseconds Time Domain Reflectometry (TDR. The dielectric parameters (ε0, ε′, ε′′ are found by bilinear calibration method. Influence of temperature in intermolecular interaction and the relaxation process are also studied. The FT-IR spectral analysis reveals that the conformation of functional groups and formation for hydrogen bonding are present in both binary and ternary mixtures of stearic acid.

An evaluation of three-dimensional modeling of compaction cycles by analyzing the densification behavior of binary and ternary mixtures.

Science.gov (United States)

Picker, K M; Bikane, F

2001-08-01

The aim of the study is to use the 3D modeling technique of compaction cycles for analysis of binary and ternary mixtures. Three materials with very different deformation and densification characteristics [cellulose acetate (CAC), dicalcium phosphate dihydrate (EM) and theophylline monohydrate (TM)] have been tableted at graded maximum relative densities (rhorel, max) on an eccentric tableting machine. Following that, graded binary mixtures from CAC and EM have been compacted. Finally, the same ratios of CAC and EM have been tableted in a ternary mixture with 20 vol% TM. All compaction cycles have been analyzed by using different data analysis methods. Three-dimensional modeling, conventional determination of the slope of the Heckel function, determination of the elastic recovery during decompression, and calculations according to the pressure-time function were the methods of choice. The results show that the 3D model technique is able to gain the information in one step instead of three different approaches, which is an advantage for formulation development. The results show that this model enables one to better distinguish the compaction properties of mixtures and the interaction of the components in the tablet than 2D models. Furthermore, the information by 3D modeling is more precise since in the slope K of the Heckel-plot (in die) elasticity is included, and in the parameters of the pressure-time function beta and gamma plastic deformation due to pressure is included. The influence of time and pressure on the displacement can now be differentiated.

Modeling of columnar and equiaxed solidification of binary mixtures

International Nuclear Information System (INIS)

Roux, P.

2005-12-01

This work deals with the modelling of dendritic solidification in binary mixtures. Large scale phenomena are represented by volume averaging of the local conservation equations. This method allows to rigorously derive the partial differential equations of averaged fields and the closure problems associated to the deviations. Such problems can be resolved numerically on periodic cells, representative of dendritic structures, in order to give a precise evaluation of macroscopic transfer coefficients (Drag coefficients, exchange coefficients, diffusion-dispersion tensors...). The method had already been applied for a model of columnar dendritic mushy zone and it is extended to the case of equiaxed dendritic solidification, where solid grains can move. The two-phase flow is modelled with an Eulerian-Eulerian approach and the novelty is to account for the dispersion of solid velocity through the kinetic agitation of the particles. A coupling of the two models is proposed thanks to an original adaptation of the columnar model, allowing for undercooling calculation: a solid-liquid interfacial area density is introduced and calculated. At last, direct numerical simulations of crystal growth are proposed with a diffuse interface method for a representation of local phenomena. (author)

Are separate-phase thermal-hydraulic models better than mixture-fluid approaches? It depends. Rather not

International Nuclear Information System (INIS)

Hoeld, A.

2004-01-01

The thermal-hydraulic theory of single- and especially two-phase flow systems used for plant transient analysis is dominated by separate-phase models. The corresponding mostly very comprehensive codes (TRAC, RELAP, CATHARE, ATHLET etc.) are looked as to be by far more efficient than a 3 eq. mixture-fluid approach and code also if they show deficiencies in describing flow situations within inner loops as for example the distribution into parallel channels (and thus the simulation of 3D thermal-hydraulic phenomena). This may be justified if comparing them to the very simple 'homogeneous equilibrium models (HEM)', but not if looking to the more refined non-homogeneous 'separate-region' mixture-fluid approaches based on appropriate drift-flux correlation packages which can have, on the contrary, enormous advantages with respect to such separate-phase models. Especially if comparing the basic (and starting) eqs. of such theoretical models of both types the differences are remarkable. Single-phase and mixture-fluid models start from genuine conservation eqs. for mass, energy and momentum, demanding (in case of two-phase flow) additionally an adequate drift flux package (in order to get a relation for a fourth independent variable), a heat transfer coefficients package (over the whole range of the possible fields of application) and correlations for single- and two-phase friction. The other types of models are looking at each phase separately with corresponding 'field' eqs. for each phase, connected by exchange (=closure) terms which substitute the classical constitutive packages for drift, heat transfer and friction. That the drift-flux, heat transfer into a coolant channel and friction along a wall and between the phases is described better by a separate-phase approach is at least doubtful. The corresponding mixture-fluid correlations are based over a wide range on a treasure of experience and measurements, their pseudo-stationary treatment can (due to their small time

Potentiometric investigations of (acid+base) equilibria in (n-butylamine+acetic acid) systems in binary (acetone+cyclohexane) solvent mixtures

Energy Technology Data Exchange (ETDEWEB)

Czaja, MaIgorzata [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Kozak, Anna [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Makowski, Mariusz [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland); Chmurzynski, Lech [Department of General Chemistry, University of Gdansk, Sobieskiego 18, 80-952 Gdansk (Poland)]. E-mail: lech@chem.univ.gda.pl

2005-08-15

By using the potentiometric titration method, standard equilibrium constants have been determined of acid dissociation of molecular acid, K{sub a}(HA), cationic acid, K{sub a}(BH{sup +}), of anionic and cationic homoconjugation, K{sub AHA{sup -}}andK{sub BHB{sup +}}, respectively, and of molecular heteroconjugation, K{sub AHB} (K{sub BHA}), in (acid+base) systems without proton transfer consisting of n-butylamine and acetic acid in binary (acetone+cyclohexane) solvent mixtures. The results have shown that both the pK{sub a}(HA) and pK{sub a}(BH{sup +}), as well as lgK{sub AHA{sup -}} values change non-linearly as a function of composition of the solvent mixture. On the other hand, standard molecular heteroconjugation constants without proton transfer do not depend on the cyclohexane content in the mixture, i.e. on solvent polarity.

Viscous slip coefficients for binary gas mixtures measured from mass flow rates through a single microtube

OpenAIRE

Yamaguchi, H.; Takamori, K.; Perrier, P.; Graur, I.; Matsuda, Y.; Niimi, T.

2016-01-01

The viscous slip coefficient for helium-argon binary gas mixture is extracted from the experimental values of the mass flow rate through a microtube. The mass flow rate is measured by the constant-volume method. The viscous slip coefficient was obtained by identifying the measured mass flow rate through a microtube with the corresponding analytical expression, which is a function of the Knudsen number. The measurements were carried out in the slip flow regime where the first-order slip bounda...

Pharmacokinetic and pharmacodynamic interaction for a binary mixture of chlorpyrifos and diazinon in the rat

International Nuclear Information System (INIS)

Timchalk, C.; Poet, T.S.; Hinman, M.N.; Busby, A.L.; Kousba, A.A.

2005-01-01

Chlorpyrifos (CPF) and diazinon (DZN) are two commonly used organophosphorus (OP) insecticides and a potential exists for concurrent exposures. The primary neurotoxic effects from OP pesticide exposures result from the inhibition of acetylcholinesterase (AChE). The pharmacokinetic and pharmacodynamic impact of acute binary exposures of rats to CPF and DZN was 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 postdosing, 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, RBC, and plasma. Coexposure to CPF/DZN at the low dose of 15/15 mg/kg did not alter the pharmacokinetics of CPF, DZN, or their metabolites in blood. A high binary dose of 60/60 mg/kg increased the C max and AUC and decreased the clearance for both parent 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 coexposures, and the extent of inhibition was plasma > RBC ≥ brain. The overall relative potency for ChE inhibition was CPF/DZN > CPF > DZN. A comparison of the ChE response at the low binary dose (15/15 mg/kg), where there were no apparent pharmacokinetic interactions, suggested that the overall ChE response was additive. These experiments represent important data concerning the potential pharmacokinetic and pharmacodynamic interactions for pesticide mixtures and will provide needed insight for assessing the potential cumulative risk associated with occupational or environmental exposures to these insecticides

Excess molar volumes and refractive indices of (methoxybenzene+benzene, or toluene, or o-xylene, or m-xylene, or p-xylene, or mesitylene) binary mixtures between T=(288.15 to 303.15)K

International Nuclear Information System (INIS)

Al-Kandary, Jasem A.; Al-Jimaz, Adel S.; Abdul-Latif, Abdul-Haq M.

2006-01-01

Densities ρ and refractive indices n D for (anisole+benzene, or toluene, or o-xylene, or m-xylene or p-xylene or mesitylene) binary mixtures over the entire range of mole fraction, at temperatures (288.15, 293.15, 298.15, and 303.15)K and atmospheric pressure, have been measured. The excess molar volume V E and molar refraction deviation ΔR m , have been calculated and fitted to the Redlich-Kister polynomial relation to estimate the binary coefficients and standard errors. The excess molar volumes are positive for (anisole+mesitylene) binary mixtures and negative for (anisole+benzene, or toluene, or xylene isomers) binary mixtures at various temperatures. Partial molar volumes V-bar i and partial excess molar volumes V-bar i E have been also derived from the experimental data. The calculated values have been used to explain the dependency of intermolecular interaction between the mixing components on the alkyl substitution on benzene ring

Multicomponent fluid flow analysis using a new set of conservation equations

International Nuclear Information System (INIS)

Kamali, Reza; Emdad, Homayoon; Alishahi, Mohammad M

2008-01-01

In this work hydrodynamics of multicomponent ideal gas mixtures have been studied. Starting from the kinetic equations, the Eulerian approach is used to derive a new set of conservation equations for the multicomponent system where each component may have different velocity and kinetic temperature. The equations are based on the Grad's method of moment derived from the kinetic model in a relaxation time approximation (RTA). Based on this model which contains separate equation sets for each component of the system, a computer code has been developed for numerical computation of compressible flows of binary gas mixture in generalized curvilinear boundary conforming coordinates. Since these equations are similar to the Navier-Stokes equations for the single fluid systems, the same numerical methods are applied to these new equations. The Roe's numerical scheme is used to discretize the convective terms of governing fluid flow equations. The prepared algorithm and the computer code are capable of computing and presenting flow fields of each component of the system separately as well as the average flow field of the multicomponent gas system as a whole. Comparison of the present code results with those of a more common algorithm based on the mixture theory in a supersonic converging-diverging nozzle provides the validation of the present formulation. Afterwards, a more involved nozzle cooling problem with a binary ideal gas (helium-xenon) is chosen to compare the present results with those of the ordinary mixture theory. The present model provides the details of the flow fields of each component separately which is not available otherwise. It is also shown that the separate fluids treatment, such as the present study, is crucial when considering time scales on the order of (or shorter than) the intercollisions relaxation times.

The performance of a residential heat pump operating with a nonazeotropic binary refrigerant mixture

Science.gov (United States)

Didion, D.; Mulroy, W.

Results of laboratory measurement of the performance change of a substantially unmodified residential heat pump designed for 222 when charged with a non azeotropic, binary mixture of R1381 and R152a is presented. Results are presented for various sizes of fixed expansion devices. The effect of gliding temperature in the saturation zone was found to be small. The effect of compositions shift by flash distillation in the accumulator was found to measurably improve low temperature heating performance. It was further observed that some system modification (such as the addition of a receiver) could have further enhanced this low temperature heating performance improvement.

Dynamic viscosities of binary mixtures of cycloalkanes with primary alcohols at T = (293.15, 298.15, and 303.15) K: New UNIFAC-VISCO interaction parameters

Energy Technology Data Exchange (ETDEWEB)

Gonzalez, Begona [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain); Calvar, Noelia [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain); Dominguez, Angeles [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain)]. E-mail: admguez@uvigo.es; Tojo, Jose [Chemical Engineering Department, Vigo University, 36200 Vigo (Spain)

2007-02-15

In this work, dynamic viscosities, densities, and speed of sound have been measured over the whole composition range and 0.1 MPa for the binary mixtures (cyclopentane and cyclohexane with ethanol, 1-propanol, and 1-butanol) at several temperatures (293.15, 298.15, 303.15) K along with the properties of the pure components. Excess molar volumes, molar isentropic compression, excess molar isentropic compression, and excess free energy of activation for the binary systems at the above mentioned temperatures, were calculated and fitted to the Redlich-Kister equation to determine the fitting parameters and the root-mean-square deviations. The UNIQUAC equation was used to correlate the experimental viscosity data. The UNIFAC-VISCO method and ASOG-VISCO method, based on contribution groups, were used to predict the dynamic viscosities of the binary mixtures. The interaction parameters of cycloalkanes with primary alcohol (CH{sub cy}/-OH) have been determined for their application in the predictive UNIFAC-VISCO method.

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

International Nuclear Information System (INIS)

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

2013-01-01

Various thermo–acoustic parameters, such as excess isentropic compressibility (K s E ), excess molar volume (V E ), excess free length (L f E ), excess Gibb's free energy (ΔG *E ), and excess Enthalpy (H E ), 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

Relationships between surface coverage ratio and powder mechanics of binary adhesive mixtures for dry powder inhalers.

Science.gov (United States)

Rudén, Jonas; Frenning, Göran; Bramer, Tobias; Thalberg, Kyrre; Alderborn, Göran

2018-04-25

The aim of this paper was to study relationships between the content of fine particles and the powder mechanics of binary adhesive mixtures and link these relationships to the blend state. Mixtures with increasing amounts of fine particles (increasing surface coverage ratios (SCR)) were prepared using Lactopress SD as carrier and micro particles of lactose as fines (2.7 µm). Indicators of unsettled bulk density, compressibility and flowability were derived and the blend state was visually examined by imaging. The powder properties studied showed relationships to the SCR characterised by stages. At low SCR, the fine particles predominantly gathered in cavities of the carriers, giving increased bulk density and unchanged or improved flow. Thereafter, increased SCR gave a deposition of particles at the enveloped carrier surface with a gradually more irregular adhesion layer leading to a reduced bulk density and a step-wise reduced flowability. The mechanics of the mixtures at a certain stage were dependent on the structure and the dynamics of the adhesion layer and transitions between the stages were controlled by the evolution of the adhesion layer. It is advisable to use techniques based on different types of flow in order to comprehensively study the mechanics of adhesive mixtures. Copyright © 2018 Elsevier B.V. All rights reserved.

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

Science.gov (United States)

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.

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

International Nuclear Information System (INIS)

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

2015-01-01

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. (paper)

Self-rewetting fluids with suspended carbon nanostructures.

Science.gov (United States)

Savino, R; Di Paola, R; Gattia, D Mirabile; Marazzi, R; Antisari, M Vittori

2011-10-01

Thermal management is very important in modern electronic systems. Recent researches have been dedicated to the study of the heat transfer performances of binary or multi-component heat transfer fluids with peculiar surface tension properties and in particular to "self-rewetting fluids," i.e., liquids with a surface tension increasing with temperature and concentration. Thermophysical properties like surface tension, wettability and thermal conductivity, at different temperatures, have been measured not only for binary mixtures, but also for a number of ternary aqueous solutions with relatively low freezing point and for nanoparticles suspensions (so called nanofluids). Some of them interestingly exhibit the same anomalous positive surface tension gradient with temperature as binary self-rewetting solutions. Since in the course of liquid/vapour phase change, self-rewetting fluids behaviour induces a rather strong liquid inflow (caused by both temperature and concentration gradients) from the cold region (where liquid condensates) to the hot evaporator region, several interesting applications may be envisaged, e.g., the development of advanced wickless heat pipes for utilization in reduced gravity environments. The present work is dedicated to the study of the thermophysical properties of nanofluids based on water/alcohol solutions with suspended carbon nanostructures, in particular single-wall carbon nanohorns (SWNH), synthesised by an homemade apparatus with an AC arc discharge in open air. The potential interest of the proposed studies stems from the large number of possible industrial applications, including space technologies and terrestrial applications, such as cooling of electronic components.

Excess enthalpies of binary mixtures of 1-hexene with some branched alkanes at the temperature 298.15 K

International Nuclear Information System (INIS)

Wang, Zhaohui; Benson, George C.; Lu, Benjamin C.-Y.

2004-01-01

Measurements of excess molar enthalpies at the temperature 298.15 K in a flow microcalorimeter are reported for the five binary mixtures formed by mixing 1-hexene with the branched alkanes: 2-methylpentane, 3-methylpentane, 2,2-dimethylbutane, 2,3-dimethylbutane, and 2,2,4-trimethylpentane. Smooth Redlich-Kister representations of the results are described. It was found that the Liebermann-Fried model also provided good representations of the results

Phase equilibria in chemical reactive fluid mixtures

International Nuclear Information System (INIS)

Maurer, Gerd

2011-01-01

Downstream processing is a major part of nearly all processes in the chemical industries. Most separation processes in the chemical (and related) industries for fluid mixtures are based on phase equilibrium phenomena. The majority of separation processes can be modelled assuming that chemical reactions are of no (or very minor) importance, i.e., assuming that the overall speciation remains unchanged during a separation process. However, there are also a large number of industrially important processes where the thermodynamic properties are influenced by chemical reactions. The phase equilibrium of chemical reactive mixtures has been a major research area of the author's group over nearly 40 years. In this contribution, three examples from that research are discussed. The first example deals with the vapour phase dimerisation of carboxylic acids and its consequences on phase equilibrium phenomena and phase equilibrium predictions. The second example deals with the solubility of sour gases (e.g., carbon dioxide and sulfur dioxide) in aqueous solutions of ammonia. That topic has been of interest for many years, e.g., in relation with the gasification and liquefaction of coal and, more recently, with the removal of carbon dioxide from flue gas in the 'chilled ammonia process'. The third example deals with phase equilibrium phenomena in aqueous solutions of polyelectrolytes. It deals with the phenomenon of 'counter ion condensation' and methods to model the Gibbs free energy of such solutions.

Modeling the [NTf2] pyridinium ionic liquids family and their mixtures with the soft statistical associating fluid theory equation of state.

Science.gov (United States)

Oliveira, M B; Llovell, F; Coutinho, J A P; Vega, L F

2012-08-02

In this work, the soft statistical associating fluid theory (soft-SAFT) equation of state (EoS) has been used to provide an accurate thermodynamic characterization of the pyridinium-based family of ionic liquids (ILs) with the bis(trifluoromethylsulfonyl)imide anion [NTf(2)](-). On the basis of recent molecular simulation studies for this family, a simple molecular model was proposed within the soft-SAFT EoS framework. The chain length value was transferred from the equivalent imidazolium-based ILs family, while the dispersive energy and the molecular parameters describing the cation-anion interactions were set to constant values for all of the compounds. With these assumptions, an appropriate set of molecular parameters was found for each compound fitting to experimental temperature-density data at atmospheric pressure. Correlations for the nonconstant parameters (describing the volume of the IL) with the molecular weight were established, allowing the prediction of the parameters for other pyridiniums not included in the fitting. Then, the suitability of the proposed model and its optimized parameters were tested by predicting high-pressure densities and second-order thermodynamic derivative properties such as isothermal compressibilities of selected [NTf(2)] pyridinium ILs, in a large range of thermodynamic conditions. The surface tension was also provided using the density gradient theory coupled to the soft-SAFT equation. Finally, the soft-SAFT EoS was applied to describe the phase behavior of several binary mixtures of [NTf(2)] pyridinium ILs with carbon dioxide, sulfur dioxide, and water. In all cases, a temperature-independent binary parameter was enough to reach quantitative agreement with the experimental data. The description of the solubility of CO(2) in these ILs also allowed identification of a relation between the binary parameter and the molecular weight of the ionic liquid, allowing the prediction of the CO(2) + C(12)py[NTf(2)] mixture. The good

Solubility of disodium cytidine 5′-monophosphate in different binary mixtures from 288.15 K to 313.15 K

Energy Technology Data Exchange (ETDEWEB)

Yu, Jin [College of Biotechnology and Pharmaceutical Engineering, Nanjing University of Technology, Nanjing (China); National Engineering Technique Research Center for Biotechnology, Nanjing (China); Ma, Tianle; Li, An [National Engineering Technique Research Center for Biotechnology, Nanjing (China); State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing (China); Chen, Xiaochun; Chen, Yong; Xie, Jingjing [College of Biotechnology and Pharmaceutical Engineering, Nanjing University of Technology, Nanjing (China); National Engineering Technique Research Center for Biotechnology, Nanjing (China); Wu, Jinglan, E-mail: yinghanjie@njut.edu.cn [College of Biotechnology and Pharmaceutical Engineering, Nanjing University of Technology, Nanjing (China); National Engineering Technique Research Center for Biotechnology, Nanjing (China); Ying, Hanjie [College of Biotechnology and Pharmaceutical Engineering, Nanjing University of Technology, Nanjing (China); National Engineering Technique Research Center for Biotechnology, Nanjing (China); State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing (China)

2013-08-10

Highlights: • Solubility of 5′-CMPNa{sub 2} in different systems was measured the first time. • Experimental data were correlated by CNIBS/Redlich–Kister model and Apelblat model. • Good agreement has been observed between the calculated and the experimental data. • Enthalpy and entropy were calculated by the van’t Hoff equation and Gibbs equation. - Abstract: The solubility of disodium cytidine 5′-monophosphate (5′-CMPNa{sub 2}) in methanol + water and ethanol + water binary mixtures was measured experimentally at the temperatures ranging from 288.15 to 313.15 K. The results showed that the solubility of 5′-CMPNa{sub 2} increased with the increasing of temperature and the mole fraction of water in different binary mixtures. The (CNIBS)/Redlich–Kister model and the semi-empirical Apelblat model were applied for the prediction of the experimental data. Both models could give satisfactory simulation results. In addition, the thermodynamic properties of the dissolution process such as Gibbs energy, enthalpy, and entropy were calculated using the van’t Hoff equation and the Gibbs equation. The results indicated that the dissolution process was endothermic.

Effect of condensation temperature glide on the performance of organic Rankine cycles with zeotropic mixture working fluids

International Nuclear Information System (INIS)

Liu, Qiang; Duan, Yuanyuan; Yang, Zhen

2014-01-01

Highlights: • A condensation pressure determination method for ORC with zeotropic mixture is given. • The effects of condensation temperature glide on the ORC performance are analyzed. • Mixture mole fractions for the maximum power output of a geothermal ORC are identified. • The biomass ORC performance with part of the latent heat transferred in the IHE is analyzed. - Abstract: The organic Rankine cycle (ORC) has been widely used to convert low-grade ( 2 M) selected as working fluids for the cogenerative ORC driven by the biomass energy. Two optimal working fluid mole fractions maximize the cycle efficiency, exergy efficiency and net power output for cooling water temperature increases less than the maximum condensation temperature glide, while the highest net power output appears at the higher mole fraction of the more volatile component for the geothermal ORC when the condensation temperature glide of the working fluid mixture matches the cooling water temperature increase. Higher condensation temperature glides result in large thermal loss to the heat sink and exergy destruction in the condenser. There is only one optimal working fluid mole fraction that maximizes the thermal efficiency, exergy efficiency and net power output when the cooling water temperature increase is greater than the condensation temperature glide

A critical test of bivelocity hydrodynamics for mixtures.

Science.gov (United States)

Brenner, Howard

2010-10-21

The present paper provides direct noncircumstantial evidence in support of the existence of a diffuse flux of volume j(v) in mixtures. As such, it supersedes an earlier paper [H. Brenner, J. Chem. Phys. 132, 054106 (2010)], which offered only indirect circumstantial evidence in this regard. Given the relationship of the diffuse volume flux to the fluid's volume velocity, this finding adds additional credibility to the theory of bivelocity hydrodynamics for both gaseous and liquid continua, wherein the term bivelocity refers to the independence of the fluid's respective mass and volume velocities. Explicitly, the present work provides a new and unexpected linkage between a pair of diffuse fluxes entering into bivelocity mixture theory, fluxes that were previously regarded as constitutively independent, except possibly for their coupling arising as a consequence of Onsager reciprocity. In particular, for the case of a binary mixture undergoing an isobaric, isothermal, external force-free, molecular diffusion process we establish by purely macroscopic arguments-while subsequently confirming by purely molecular arguments-the validity of the ansatz j(v)=(v(1)-v(2))j(1) relating the diffuse volume flux j(v) to the diffuse mass fluxes j(1)(=-j(2)) of the two species and, jointly, their partial specific volumes v(1),v(2). Confirmation of that relation is based upon the use of linear irreversible thermodynamic principles to embed this ansatz in a broader context, and to subsequently establish the accord thereof with Shchavaliev's solution of the multicomponent Boltzmann equation for dilute gases [M. Sh. Shchavaliev, Fluid Dyn. 9, 96 (1974)]. Moreover, because the terms v(1), v(2), and j(1) appearing on the right-hand side of the ansatz are all conventional continuum fluid-mechanical terms (with j(1) given, for example, by Fick's law for thermodynamically ideal solutions), parity requires that j(v) appearing on the left-hand side of that relation also be a continuum term

Thermodynamic properties of binary mixtures combining two pyridinium-based ionic liquids and two alkanols

International Nuclear Information System (INIS)

García-Mardones, Mónica; Barrós, Alba; Bandrés, Isabel; Artigas, Héctor; Lafuente, Carlos

2012-01-01

Highlights: ► Thermodynamic properties of an ionic liquid and an alkanol have been reported. ► The ionic liquids studied were 1-butyl-3 (or 4)-methylpyridinium tetrafluoroborate. ► The alkanols were methanol and ethanol. ► From measured data excess properties have been obtained and correlated. - Abstract: Densities and speeds of sound have been determined for the binary mixtures containing an ionic liquid (1-butyl-3-methylpyridinium tetrafluoroborate or 1-butyl-4-methylpyridinium tetrafluoroborate) and an alkanol (methanol or ethanol) over the temperature range (293.15 to 323.15) K. Excess volumes and excess isentropic compressibilities have been calculated from density and speed of sound data and correlated. All the mixtures show negative values for these excess properties. Furthermore, the isothermal (vapour + liquid) equilibrium has been measured at T = (303.15 and 323.15) K, and the corresponding activity coefficients and excess Gibbs functions have been obtained. In this case, positive excess Gibbs functions have been found. We have carried out an exhaustive interpretation of the experimental results in terms of structural and energetic effects taking also into account the thermodynamic information of pure compounds. Finally, in order to study the influence of both, the presence and the position of methyl group in the cation, we have compared the results of these systems with those obtained for the mixtures formed by 1-butylpyridinium tetrafluoroborate and methanol or ethanol.

Excess molar volumes and deviation in viscosities of binary liquid mixtures of acrylic esters with hexane-1-ol at 303.15 and 313.15 K

Directory of Open Access Journals (Sweden)

Sujata S. Patil

2014-12-01

Full Text Available Densities and viscosities for the four binary liquid mixtures of methyl acrylate, ethyl acrylate, butyl acrylate and methyl methacrylate with hexane-1-ol at temperatures 303.15 and 313.15 K and at atmospheric pressure were measured over the entire composition range. These values were used to calculate excess molar volumes and deviation in viscosities which were fitted to Redlich–Kister polynomial equation. Recently proposed Jouyban Acree model was also used to correlate the experimental values of density and viscosity. The mixture viscosities were correlated by several semi-empirical approaches like Hind, Choudhary–Katti, Grunberg–Nissan, Tamura and Kurata, McAllister three and four body model equations. A graphical representation of excess molar volumes and deviation in isentropic compressibility shows positive nature whereas deviation in viscosity shows negative nature at both temperatures for all four binary liquid mixtures. Positive values of excess molar volumes show that volume expansion is taking place causing rupture of H-bonds in self associated alcohols. The results were discussed in terms of molecular interactions prevailing in the mixtures.

Polarographic behaviour and determination of selenite and tellurite in simple solutions or in a binary mixture

International Nuclear Information System (INIS)

Hassan, A.

1991-01-01

The polarographic behaviour of simple solutions of selenite and tellurite in 1 M ammonium salts of formate, acetate, tartrate, oxalate, and benzoate solutions in absence and in presence of Triton X-100 as a maximum suppressor and a temperature of 25 O C has been investigated. Schemes for the mechanism of reductions occuring at the DME have been deduced. A method for analytical determination of selenite and tellurite in simple solutions as well as in a binary mixture in the presence of 4-14 . 10 -3 % Triton X-100 is reported. (author)

Numerical modeling of two-phase binary fluid mixing using mixed finite elements

KAUST Repository

Sun, Shuyu

2012-07-27

Diffusion coefficients of dense gases in liquids can be measured by considering two-phase binary nonequilibrium fluid mixing in a closed cell with a fixed volume. This process is based on convection and diffusion in each phase. Numerical simulation of the mixing often requires accurate algorithms. In this paper, we design two efficient numerical methods for simulating the mixing of two-phase binary fluids in one-dimensional, highly permeable media. Mathematical model for isothermal compositional two-phase flow in porous media is established based on Darcy\\'s law, material balance, local thermodynamic equilibrium for the phases, and diffusion across the phases. The time-lag and operator-splitting techniques are used to decompose each convection-diffusion equation into two steps: diffusion step and convection step. The Mixed finite element (MFE) method is used for diffusion equation because it can achieve a high-order and stable approximation of both the scalar variable and the diffusive fluxes across grid-cell interfaces. We employ the characteristic finite element method with moving mesh to track the liquid-gas interface. Based on the above schemes, we propose two methods: single-domain and two-domain methods. The main difference between two methods is that the two-domain method utilizes the assumption of sharp interface between two fluid phases, while the single-domain method allows fractional saturation level. Two-domain method treats the gas domain and the liquid domain separately. Because liquid-gas interface moves with time, the two-domain method needs work with a moving mesh. On the other hand, the single-domain method allows the use of a fixed mesh. We derive the formulas to compute the diffusive flux for MFE in both methods. The single-domain method is extended to multiple dimensions. Numerical results indicate that both methods can accurately describe the evolution of the pressure and liquid level. © 2012 Springer Science+Business Media B.V.

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

Energy Technology Data Exchange (ETDEWEB)

Sreehari Sastry, S., E-mail: sreeharisastry@yahoo.com [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar, Andhra Pradesh 522 510 (India); Babu, Shaik, E-mail: babu.computers@gmail.com [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar, Andhra Pradesh 522 510 (India); Vishwam, T., E-mail: vishwam@gitam.edu [Department of Engineering Physics, Gitam University, Hyderabad Campus, Andhra Pradesh 502 239 (India); Parvateesam, K., E-mail: kps27031966@gmail.com [Department of Physics, Acharya Nagarjuna University, Nagarjuna Nagar, Andhra Pradesh 522 510 (India); Sie Tiong, Ha., E-mail: hast@utar.edu.my [Faculty of Science, Department of Chemical Science, Universiti Tunku Abdul Rahman, Jalan Universiti, Bandar Barat, 31900 Kampar, Perak (Malaysia)

2013-07-01

Various thermo–acoustic parameters, such as excess isentropic compressibility (K{sub s}{sup E}), excess molar volume (V{sup E}), excess free length (L{sub f}{sup E}), excess Gibb's free energy (ΔG{sup *E}), and excess Enthalpy (H{sup E}), 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.

Vapour pressures and osmotic coefficients of binary mixtures of 1-ethyl-3-methylimidazolium ethylsulfate and 1-ethyl-3-methylpyridinium ethylsulfate with alcohols at T = 323.15 K

International Nuclear Information System (INIS)

Calvar, Noelia; Gonzalez, Begona; Dominguez, Angeles; Macedo, Eugenia A.

2009-01-01

Osmotic coefficients of binary mixtures containing alcohols (ethanol, 1-propanol, and 2-propanol) and the ionic liquids 1-ethyl-3-methylimidazolium ethylsulfate and 1-ethyl-3-methylpyridinium ethylsulfate were determined at T = 323.15 K. Vapour pressure and activity coefficients of the studied systems were calculated from experimental data. The extended Pitzer model modified by Archer, and the modified NRTL model (MNRTL) were used to correlate the experimental data, obtaining standard deviations lower than 0.012 and 0.031, respectively. The mean molal activity coefficients and the excess Gibbs free energy of the studied binary mixtures were calculated from the parameters obtained with the extended Pitzer model of Archer.

Influence of the type of working fluid in the lower cycle and superheated steam parameters in the upper cycle on effectiveness of operation of binary power plant

Directory of Open Access Journals (Sweden)

Stachel Aleksander A.

2015-03-01

Full Text Available In the paper presented have been the results of the analysis of effectiveness of operation of binary power plant consisting of combined two Clausius-Rankine cycles, namely the binary cycle with water as a working fluid in the upper cycle and organic substance as a working fluid in the lower cycle, as well as a single fluid component power plant operating also in line with the C-R cycle for superheated steam, with water as a working fluid. The influence of the parameters of superheated steam in the upper cycle has been assessed as well as the type of working fluid in the lower cycle. The results of calculations have been referred to the single-cycle classical steam power plant operating at the same parameters of superheated steam and the same mass flow rate of water circulating in both cycles. On the basis of accomplished analysis it has been shown that the binary power plant shows a greater power with respect to the reference power plant.

Demixing and nematic behaviour of oblate hard spherocylinders and hard spheres mixtures: Monte Carlo simulation and Parsons-Lee theory

Science.gov (United States)

Gámez, Francisco; Acemel, Rafael D.; Cuetos, Alejandro

2013-10-01

Parsons-Lee approach is formulated for the isotropic-nematic transition in a binary mixture of oblate hard spherocylinders and hard spheres. Results for the phase coexistence and for the equation of state in both phases for fluids with different relative size and composition ranges are presented. The predicted behaviour is in agreement with Monte Carlo simulations in a qualitative fashion. The study serves to provide a rational view of how to control key aspects of the behaviour of these binary nematogenic colloidal systems. This behaviour can be tuned with an appropriate choice of the relative size and molar fractions of the depleting particles. In general, the mixture of discotic and spherical particles is stable against demixing up to very high packing fractions. We explore in detail the narrow geometrical range where demixing is predicted to be possible in the isotropic phase. The influence of molecular crowding effects on the stability of the mixture when spherical molecules are added to a system of discotic colloids is also studied.

The influence of thermodynamic self-consistency on the phase behaviour of symmetric binary mixtures

CERN Document Server

Scholl-Paschinger, E; Kahl, G

2004-01-01

We have investigated the phase behaviour of a symmetric binary mixture with particles interacting via hard-core Yukawa potentials. To calculate the thermodynamic properties we have used the mean spherical approximation (MSA), a conventional liquid state theory, and the closely related self-consistent Ornstein-Zernike approximation which is defined via an MSA-type closure relation, requiring, in addition, thermodynamic self-consistency between the compressibility and the energy-route. We investigate on a quantitative level the effect of the self-consistency requirement on the phase diagram and on the critical behaviour and confirm the existence of three archetypes of phase diagram, which originate from the competition between the first order liquid/vapour transition and the second order demixing transition.

The effect of atom mismatch on the fragility of supercooled Lennard-Jones binary mixtures

International Nuclear Information System (INIS)

Sun Minhua; Sun Yongli; Wang Aiping; Ma Congxiao; Li Jiayun; Cheng Weidong; Liu Fang

2006-01-01

The shear viscosity of the well-known binary Lennard-Jones mixture is simulated under constant temperature and constant volume conditions (NVT) by a molecular-dynamics (MD) method. The effect of atomic size mismatch on the fragility parameter and glass-forming ability is studied. The fragility parameters calculated from shear viscosity data decrease with the increment of the atomic size mismatch. The value of the fragility changes from 168.963 to 22.976 when the mismatch changes from 0.023 to 0.25. It is shown that the fragility parameter is sensitive to the atomic size mismatch. The calculated pair distribution functions and mean square displacements indicate that the glass-forming ability increases with the atomic size mismatch

Phase behavior of binary polybutadiene copolymer mixtures as an example of weakly interacting polymers

CERN Document Server

Schwahn, D

2002-01-01

Binary blends of statistical polybutadiene copolymers of different vinyl content and molar volume were explored by small-angle neutron scattering. These samples represent the most simple class of statistical copolymer mixtures. In spite of this simplicity, changes in vinyl content, molar volume, and deuterium and hydrogen content of the chains give rise to strong effects; phase separation occurs from minus 230 C to more than plus 200 C and can even reverse from an enthalpically driven one at low temperatures to an entropically driven one at high temperatures. The entropic and enthalpic terms of the Flory-Huggins parameter as determined from the experiment are in excellent agreement with lattice cluster theory calculations. (orig.)

Measuring and modeling of binary mixture effects of pharmaceuticals and nickel on cell viability/cytotoxicity in the human hepatoma derived cell line HepG2

International Nuclear Information System (INIS)

Rudzok, S.; Schlink, U.; Herbarth, O.; Bauer, M.

2010-01-01

The interaction of drugs and non-therapeutic xenobiotics constitutes a central role in human health risk assessment. Still, available data are rare. Two different models have been established to predict mixture toxicity from single dose data, namely, the concentration addition (CA) and independent action (IA) model. However, chemicals can also act synergistic or antagonistic or in dose level deviation, or in a dose ratio dependent deviation. In the present study we used the MIXTOX model (EU project ENV4-CT97-0507), which incorporates these algorithms, to assess effects of the binary mixtures in the human hepatoma cell line HepG2. These cells possess a liver-like enzyme pattern and a variety of xenobiotic-metabolizing enzymes (phases I and II). We tested binary mixtures of the metal nickel, the anti-inflammatory drug diclofenac, and the antibiotic agent irgasan and compared the experimental data to the mathematical models. Cell viability was determined by three different methods the MTT-, AlamarBlue (registered) and NRU assay. The compounds were tested separately and in combinations. We could show that the metal nickel is the dominant component in the mixture, affecting an antagonism at low-dose levels and a synergism at high-dose levels in combination with diclofenac or irgasan, when using the NRU and the AlamarBlue assay. The dose-response surface of irgasan and diclofenac indicated a concentration addition. The experimental data could be described by the algorithms with a regression of up to 90%, revealing the HepG2 cell line and the MIXTOX model as valuable tool for risk assessment of binary mixtures for cytotoxic endpoints. However the model failed to predict a specific mode of action, the CYP1A1 enzyme activity.

Ecotoxicity of binary mixtures of Microcystis aeruginosa and insecticides to Daphnia pulex

International Nuclear Information System (INIS)

Asselman, J.; Janssen, C.R.; Smagghe, G.; De Schamphelaere, K.A.C.

2014-01-01

In aquatic ecosystems, mixtures of chemical and natural stressors can occur which may significantly complicate risk assessment approaches. Here, we show that effects of binary combinations of four different insecticides and Microcystis aeruginosa, a toxic cyanobacteria, on Daphnia pulex exhibited distinct interaction patterns. Combinations with chlorpyrifos and tetradifon caused non-interactive effects, tebufenpyrad caused an antagonistic interaction and fenoyxcarb yielded patterns that depended on the reference model used (i.e. synergistic with independent action, additive with concentration addition). Our results demonstrate that interactive effects cannot be generalised across different insecticides, not even for those targeting the same biological pathway (i.e. tebufenpyrad and tetradifon both target oxidative phosphorylation). Also, the concentration addition reference model provided conservative predictions of effects in all investigated combinations for risk assessment. These predictions could, in absence of a full mechanistic understanding, provide a meaningful solution for managing water quality in systems impacted by both insecticides and cyanobacterial blooms. - Highlights:: • 2 of 4 insecticide-Microcystis combinations showed no interactive effect on Daphnia. • One insecticide showed antagonistic deviation patterns. • For one other insecticide the results depended on the reference model used. • Interactive effects between insecticides and Microcystis cannot be generalized. • The concentration addition model provides conservative estimates of mixture effects. - Interactive effects between insecticides and cyanobacterial stressors cannot be generalized, not even for insecticides with closely related known modes of action

Easy prediction of the refractive index for binary mixtures of ionic liquids with water or ethanol

International Nuclear Information System (INIS)

Rilo, E.; Domínguez-Pérez, M.; Vila, J.; Segade, L.; García, M.; Varela, L.M.; Cabeza, O.

2012-01-01

Highlights: ► We measure refractive index, n, in seven systems formed by IL + water or ethanol. ► Independently, theoretical estimations of the refractive index values were performed. ► To do that we use Gladstone–Dale and Newton models, relating n and density. ► We calculate density of each system from the value of the pure components. ► The agreement between experimental and calculated n values is about 99.8%. - Abstract: In this paper, we demonstrate that it is possible to know the refractive index, n D , of every given mixture of 1-alkyl-3methyl imidazolium tetrafluoroborate with water and ethanol just from the knowledge of the refractive index and density of pure components. To do that, we measured n D for seven different mixtures in all range of existing concentrations and, independently, we deduce n D theoretically. Both sets of values differ less than a 0.2% on average. The theoretical deduction takes into account that these mixtures are quasi-ideal from the molar volume point of view, as recently published, and so density for any composition of the mixture can be obtained with a precision better than 0.5% from the pure compounds value. Now we simply apply Newton or Gladstone–Dale models, which relate the refractive index of a binary mixture with its density from the value of both pure components, without any fitting parameter. Both models are very similar in form and in the values they deduce (less than a 0.2% of difference), but while that of Newton performs slightly better for ethanol mixtures, the model of Gladstone–Dale gives some better results for aqueous mixtures. We think that these results can be extended to the majority of ionic liquid plus solvent systems.

Study of thermodynamic and transport properties of binary liquid mixtures of n-decane with hexan-2-ol, heptan-2-ol and octan-2-ol at T = 298.15 K. Experimental results and application of the Prigogine–Flory–Patterson theory

International Nuclear Information System (INIS)

Mahajan, Aravind R.; Mirgane, Sunil R.

2013-01-01

Highlights: • The large positive V m E values are obtained for the binary mixtures at 298.15 K. • Excess isentropic compressibilities for the binary mixtures are positive over the whole composition range. • The values of G ∗E for all binary mixtures are negative over entire mole fraction. • Viscosities measured for the binary mixtures were correlated with values calculated by various viscosity models. • PEP theory, Bloomfield and Dewan model and Jouyban–Acree model are also used to correlate the experimental data. -- Abstract: Densities and viscosities of binary mixtures of n-decane with hexan-2-ol, heptan-2-ol and octan-2-ol have been measured over the entire range of composition at T = 298.15 K and at atmospheric pressure. From the experimental values of density and viscosity, the excess molar volumes (V m E ) and excess Gibbs energy of activation of viscous flow (G ∗E ) have been calculated. These results were fitted to Redlich–Kister polynomial equations to estimate the binary coefficients and standard errors. Jouyban–Acree model is used to correlate the experimental values of density, viscosity and ultrasonic velocity at T = 298.15 K. The results of the viscosity-composition are discussed in the light of various viscosity semi-empirical equations. The experimental results have been used to test the applicability of the Prigogine–Flory–Patterson (PFP) theory. The values of Δln η have also been analysed using Bloomfield and Dewan model. The experimental and calculated quantities are used to study the nature of mixing behaviour between the mixtures

Nickel and binary metal mixture responses in Daphnia magna: Molecular fingerprints and (sub)organismal effects

International Nuclear Information System (INIS)

Vandenbrouck, Tine; Soetaert, Anneleen; Ven, Karlijn van der; Blust, Ronny; Coen, Wim de

2009-01-01

The recent development of a custom cDNA microarray platform for one of the standard organisms in aquatic toxicology, Daphnia magna, opened up new ways to mechanistic insights of toxicological responses. In this study, the mRNA expression of several genes and (sub)organismal responses (Cellular Energy Allocation, growth) were assayed after short-term waterborne metal exposure. Microarray analysis of Ni-exposed daphnids revealed several affected functional gene classes, of which the largest ones were involved in different metabolic processes (mainly protein and chitin related processes), cuticula turnover, transport and signal transduction. Furthermore, transcription of genes involved in oxygen transport and heme metabolism (haemoglobin, δ-aminolevilunate synthase) was down-regulated. Applying a Partial Least Squares regression on nickel fingerprints and biochemical (sub)organismal parameters revealed a set of co-varying genes (haemoglobin, RNA terminal phosphate cyclase, a ribosomal protein and an 'unknown' gene fragment). An inverse relationship was seen between the mRNA expression levels of different cuticula proteins and available energy reserves. In addition to the nickel exposure, daphnids were exposed to binary mixtures of nickel and cadmium or nickel and lead. Using multivariate analysis techniques, the mixture mRNA expression fingerprints (Ni 2+ + Cd 2+ , Ni 2+ + Pb 2+ ) were compared to those of the single metal treatments (Ni 2+ , Cd 2+ , Pb 2+ ). It was hypothesized that the molecular fingerprints of the mixtures would be additive combinations of the gene transcription profiles of the individual compounds present in the mixture. However, our results clearly showed additionally affected pathways after mixture treatment (e.g. additional affected genes involved in carbohydrate catabolic processes and proteolysis), indicating interactive molecular responses which are not merely the additive sum of the individual metals. These findings, although indicative of

Modeling Phase Equilibria for Acid Gas Mixtures Using the CPA Equation of State. I. Mixtures with H2S

DEFF Research Database (Denmark)

Tsivintzelis, Ioannis; Kontogeorgis, Georgios; Michelsen, Michael Locht

2010-01-01

(water, methanol, and glycols) are modeled assuming presence or not of cross-association interactions. Such interactions are accounted for using either a combining rule or a cross-solvation energy obtained from spectroscopic data. Using the parameters obtained from the binary systems, one ternary......The Cubic-Plus-Association (CPA) equation of state is applied to a large variety of mixtures containing H2S, which are of interest in the oil and gas industry. Binary H2S mixtures with alkanes, CO2, water, methanol, and glycols are first considered. The interactions of H2S with polar compounds...... and three quaternary mixtures are considered. It is shown that overall excellent correlation for binary, mixtures and satisfactory prediction results for multicomponent systems are obtained. There are significant differences between the various modeling approaches and the best results are obtained when...

Performance of supercritical Brayton cycle using CO2-based binary mixture at varying critical points for SFR applications

International Nuclear Information System (INIS)

Jeong, Woo Seok; Jeong, Yong Hoon

2013-01-01

Highlights: • Supercritical CO 2 -based gas mixture Brayton cycles were investigated for a SFR. • The critical point of CO 2 is the lowest cycle operating limit of the S-CO 2 cycles. • Mixing additives with CO 2 changes the CO 2 critical point. • CO 2 –Xe and CO 2 –Kr cycles achieve higher cycle efficiencies than the S-CO 2 cycles. • CO 2 –H 2 S and CO 2 –cyclohexane cycles perform better at higher heat sink temperatures. -- Abstract: The supercritical carbon dioxide Brayton cycle (S-CO 2 cycle) has attracted much attention as an alternative to the Rankine cycle for sodium-cooled fast reactors (SFRs). The higher cycle efficiency of the S-CO 2 cycle results from the considerably decreased compressor work because the compressor behaves as a pump in the proximity of the CO 2 vapor–liquid critical point. In order to fully utilize this feature, the main compressor inlet condition should be controlled to be close to the critical point of CO 2 . This indicates that the critical point of CO 2 is a constraint on the minimum cycle condition for S-CO 2 cycles. Modifying the CO 2 critical point by mixing additive gases could be considered as a method of enhancing the performance and broadening the applicability of the S-CO 2 cycle. Due to the drastic fluctuations of the thermo-physical properties of fluids near the critical point, an in-house cycle analysis code using the NIST REFPROP database was implemented. Several gases were selected as potential additives considering their thermal stability and chemical interaction with sodium in the temperature range of interest and the availability of the mixture property database: xenon, krypton, hydrogen sulfide, and cyclohexane. The performances of the optimized CO 2 -containing binary mixture cycles with simple recuperated and recompression layouts were compared with the reference S-CO 2 , CO 2 –Ar, CO 2 –N 2 , and CO 2 –O 2 cycles. For the decreased critical temperatures, the CO 2 –Xe and CO 2 �

Experimental investigation of thermodynamic properties of binary mixture of acetic acid + n-butanol and acetic acid + water at temperature from 293.15 K to 343.15 K

Science.gov (United States)

Paul, M. Danish John; Shruthi, N.; Anantharaj, R.

2018-04-01

The derived thermodynamic properties like excess molar volume, partial molar volume, excess partial molar volume and apparent volume of binary mixture of acetic acid + n-butanolandacetic acid + water has been investigated using measured density of mixtures at temperatures from 293.15 K to 343.15.

Practical data correlation of flashpoints of binary mixtures by a reciprocal function: The concept and numerical examples

Directory of Open Access Journals (Sweden)

Hristova Mariana

2011-01-01

Full Text Available Simple data correlation of flashpoint data of binary mixture has been developed on a basic of rational reciprocal function. The new approximation requires has only two coefficients and needs the flashpoint temperature of the pure flammable component to be known. The approximation has been tested by literature data concerning aqueous-alcohol solution and compared to calculations performed by several thermodynamic models predicting flashpoint temperatures. The suggested approximation provides accuracy comparable and to some extent better than that of the thermodynamic methods.

Diffusion coefficients in 4-component mixture expressed explicitly in terms of binary diffusion coefficients and mole fractions

International Nuclear Information System (INIS)

Furuta, Hiroshi; Yamamoto, Ichiro

1996-01-01

Diffusion coefficients in 4-component mixture D ij (4) were expressed explicitly in terms of binary diffusion coefficients and mole fractions by solving a ratio of determinants defined by Hirschfelder et al. The explicit expressions of D ij (4) were divided into two terms, a term due to the i-j pairs of attention and a term common to all the pairs out of the 4 components. The two terms of D ij (4) had extended structures similar to corresponding those of D ij (3) respectively. (author)

Theory and simulations for hard-disk models of binary mixtures of molecules with internal degrees of freedom

DEFF Research Database (Denmark)

Fraser, Diane P.; Zuckermann, Martin J.; Mouritsen, Ole G.

1991-01-01

A two-dimensional Monte Carlo simulation method based on the NpT ensemble and the Voronoi tesselation, which was previously developed for single-species hard-disk systems, is extended, along with a version of scaled-particle theory, to many-component mixtures. These systems are unusual in the sense...... and internal degrees of freedom leads to a rich phase structure that includes solid-liquid transitions (governed by the translational variables) as well as transitions involving changes in average disk size (governed by the internal variables). The relationship between these two types of transitions is studied...... by the method in the case of a binary mixture, and results are presented for varying disk-size ratios and degeneracies. The results are also compared with the predictions of the extended scaled-particle theory. Applications of the model are discussed in relation to lipid monolayers spread on air...

An approach for evaluating the respiratory irritation of mixtures: application to metalworking fluids.

Science.gov (United States)

Schaper, M M; Detwiler-Okabayashi, K A

1995-01-01

Recently, the sensory and pulmonary irritating properties of ten metalworking fluids (MWF) were assessed using a mouse bioassay. Relative potency of the MWFs was estimated, but it was not possible to identify the component(s) responsible for the the respiratory irritation induced by each MWF. One of the ten fluids, MWF "ET", produced sensory and pulmonary irritation in mice, and it was of moderate potency in comparison to the other nine MWFs. MWF "E" had three major components: tall oil fatty acids (TOFA), sodium sulfonate (SA), and paraffinic oil (PO). In the present study, the sensory and pulmonary irritating properties of these individual components of MWF "E" were evaluated. Mixtures of the three components were also prepared and similarly evaluated. This analysis revealed that the sensory irritation from MWF "E" was largely due to TOFA, whereas SA produced the pulmonary irritation observed with MWF "E". Both TOFA and SA were more potent irritants than was MWF "E", and the potency of TOFA and/or SA was diminished through combination with PO. There was no evidence of synergism of the components when combined to form MWF "E". This approach for identifying the biologically "active" component(s) in a mixture should be useful for other MWFs. Furthermore, the approach should be easily adapted for other applications involving concerns with mixtures.

Individual and binary toxicity of anatase and rutile nanoparticles towards Ceriodaphnia dubia

International Nuclear Information System (INIS)

Iswarya, V.; Bhuvaneshwari, M.; Chandrasekaran, N.; Mukherjee, Amitava

2016-01-01

Highlights: • Individual, binary toxicity of anatase and rutile NPs studied on Ceriodaphnia dubia. • Anatase and rutile phases showed differential effect upon variation in irradiation. • Mixture induced antagonistic at visible and additive effect at UV-A irradiation. • Marking-Dawson model fitted more appropriately than Abbott model. • Agglomeration played a major role in the toxicity induced by the mixture. - Abstract: Increasing usage of engineered nanoparticles, especially Titanium dioxide (TiO_2) in various commercial products has necessitated their toxicity evaluation and risk assessment, especially in the aquatic ecosystem. In the present study, a comprehensive toxicity assessment of anatase and rutile NPs (individual as well as a binary mixture) has been carried out in a freshwater matrix on Ceriodaphnia dubia under different irradiation conditions viz., visible and UV-A. Anatase and rutile NPs produced an LC_5_0 of about 37.04 and 48 mg/L, respectively, under visible irradiation. However, lesser LC_5_0 values of about 22.56 (anatase) and 23.76 (rutile) mg/L were noted under UV-A irradiation. A toxic unit (TU) approach was followed to determine the concentrations of binary mixtures of anatase and rutile. The binary mixture resulted in an antagonistic and additive effect under visible and UV-A irradiation, respectively. Among the two different modeling approaches used in the study, Marking-Dawson model was noted to be a more appropriate model than Abbott model for the toxicity evaluation of binary mixtures. The agglomeration of NPs played a significant role in the induction of antagonistic and additive effects by the mixture based on the irradiation applied. TEM and zeta potential analysis confirmed the surface interactions between anatase and rutile NPs in the mixture. Maximum uptake was noticed at 0.25 total TU of the binary mixture under visible irradiation and 1 TU of anatase NPs for UV-A irradiation. Individual NPs showed highest uptake under