Ternary Liquid Mixtures Research Articles

Application of a three-laser optical digital interferometry in a thermogravitational analysis for binary and ternary mixtures

Abstract We discuss the application of the three-laser optical digital interferometry method for the determination of transport properties such as the thermodiffusion, the molecular diffusion and the Soret coefficients by the thermogravitational column technique. The primary objective of this study is to illustrate the capabilities and limitations of the method for quantifying these properties in both binary and ternary liquid mixtures from an optical viewpoint. It is concluded that the system is highly robust for the analysis of binary mixtures, with the combination of the results obtained by the three wavelengths increasing the accuracy of the measurement. The study of ternary mixtures, on the contrary, is limited to certain types of conditions. While the accuracy of a three-laser interferometer can be improved, the method may be compromised if the optical contrast factor matrices are poorly conditioned.

THERMODYNAMIC PROPERTIES OF TERNARY LIQUID MIXTURE OF TOCOPHEROL ACETATE WITH CHLOROFORM AND DIETHYL ETHER AT 293 K

The reported study, measured the ultrasonic velocity (u), density (ρ) and viscosity (η) of ternary liquid mixtures of α-Tocopherol acetate with chloroform and diethyl ether in the concentration range (0 to 0.1 M) at 293K. These experimental parameters can be used to calculate various thermodynamic parameters like free volume (Vf), internal pressure (πin), Vander-Wall Constant (b) and Gibbs free energy (∆G*) etc. to identify the strength of molecular interaction. The results so obtained support the formation of complex structure and molecular aggregation through intermolecular hydrogen bonding in the ternary liquid system of α -Tocopherol acetate with chloroform and diethyl ether.

Diffusiophoresis of Macromolecules within the Framework of Multicomponent Diffusion.

Diffusiophoresis is the isothermal migration of a colloidal particle through a liquid caused by a cosolute concentration gradient. Although diffusiophoresis was originally introduced using hydrodynamics, it can also be described by employing the framework of multicomponent diffusion. This not only enables the extraction of diffusiophoresis coefficients from measured multicomponent-diffusion coefficients but also their theoretical interpretation using fundamental thermodynamic and transport parameters. This review discusses the connection of diffusiophoresis with the 2 × 2 diffusion-coefficient matrix of ternary liquid mixtures. Specifically, diffusiophoresis is linked to the cross-term diffusion coefficient characterizing diffusion of colloidal particles due to cosolute concentration gradient. The other cross-term, which describes cosolute diffusion due to the concentration gradient of colloidal particles, is denoted as osmotic diffusion. Representative experimental results on diffusiophoresis and osmotic diffusion for polyethylene glycol and lysozyme in the presence of aqueous salts and osmolytes are described. These data were extracted from ternary diffusion coefficients measured using precision Rayleigh interferometry at 25 °C. The preferential-hydration and electrophoretic mechanisms responsible for diffusiophoresis are examined. The connection of diffusiophoresis and osmotic diffusion to preferential-interaction coefficients, Onsager reciprocal relations, Donnan equilibrium and Nernst-Planck equations are also discussed.

Physicochemical properties, theoretical modelling and molecular interaction analysis in ternary liquid mixtures containing 1-propanol, 1,3-diaminopropane and ethyl acetate at temperature 298.15–318.15 K

In the present report, density (ρ), viscosity (η), speed of sound (u) and refractive index (nD) of ternary liquid mixture containing 1-propanol (1P) (1) + 1,3-diaminopropane (1,3-DAP) (2) + ethyl acetate (EAc) (3) were measured at five different temperatures (T = 298.15 to 318.15 K) and at 0.1 MPa pressure. Data of ρ, η, u and nD were used to compute the excess molar volume, VmE, deviation in viscosity, Δη, deviation in ultrasonic speed, Δu, excess isentropic compressibility, ksE, excess free volume, VfE, excess intermolecular free length, LfE, excess available volume, VaE, and deviation in refractive index, ΔnD, and these computed physicochemical properties were fitted to Singh equation. The VmE data were fitted to the Nagata and Cibulka equations. Further, Kohler model, Tsao-Smith model, Radojkovic model, Jacob-Fitzner model and Rastogi model were used to calculate the VmE values. The speed of sound data was analyzed by various correlations such as Van Dael, Nomato, Impedance dependence, Schaaff’s collision factor theory (CFT) and Jacobson’s free length theory (JFLT). Various correlations like Heller, Arago-Biot, Lorentz-Lorenz, Erying, Newton, Gladstone-Dale, and Weiner were used to correlate nD data.

Experimental Measurements, Correlation, and Prediction Models to Study 1-Ethyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid Ternary Mixtures

Experimental Measurements, Correlation, and Prediction Models to Study 1-Ethyl-3-methylimidazolium Tetrafluoroborate Ionic Liquid Ternary Mixtures

How emulsified droplets induce the bursting of suspended films of liquid mixtures.

Emulsion droplets of silicone oil (PDMS) are widely used as antifoaming agents but, in the case of non-aqueous foams, the mechanisms responsible for the bursting of the films separating the bubbles remain unclear. We consider a ternary non-aqueous liquid mixture in which PDMS-rich microdroplets are formed by spontaneous emulsification. In order to quantitatively assess the effect of the emulsified microdroplets, we measure the lifetime of sub-micrometer-thick suspended films of these emulsions as well as the time variations of their thickness profiles. We observe that a droplet entering the film reduces its lifetime by inducing a local and fast thinning. In most cases, we ascribe it to the spreading of the drop at one of the film interfaces with air, which drags the underlying liquid and eventually causes the film to burst rapidly. We explain why, despite slower spreading, more viscous droplets cause films to burst more efficiently. More rarely, microdroplets may bridge the two interfaces of the film, resulting in an even more efficient bursting of the film, which we explain.

Molecular interactions in ternary system of K-contin and (2-Aminoacetamido)acetic acid at various temperatures–ultrasonic and viscometric analysis

Ultrasonic techniques are frequently used in organic molecule conformation analysis. Mixtures of ternary liquid complexes are extensively used for comprehending the strength as well as the characteristics of the interactions between molecules. Experimentally, the thermo physical properties of ternary liquid mixtures such as viscosity (η), density (ρ) and velocity (u) of K-contin, (2-Aminoacetamido)acetic acid and non-aqueous medium were determined over temperature ranges of 298.15, 308.15 and 318.15 K. The experimental data were used to ascertain the thermoacoustic parameters such as free volume, internal pressure, adiabatic compressibility, solvation number, specific acoustic impedance and intermolecular free length. These parameters are more useful for predicting and validating molecular interactions.

Ultrasonic study for the molecular interactions of the ternary liquid mixture of p-anisaldehyde (4-methoxy benzaldehyde) with dimethylamine (N-methylmethanamine) and n-hexane at various temperatures

Ultrasonic study for the molecular interactions of the ternary liquid mixture of p-anisaldehyde (4-methoxy benzaldehyde) with dimethylamine (N-methylmethanamine) and n-hexane at various temperatures

Surfactant-free microemulsions of n-butanol, ethanol, and water

Surfactant-free microemulsions (SFMEs) refer to the microemulsions formed with two immiscible fluids (generally called the oil and water phases) in the presence of an amphi-solvent rather than the traditional surfactants. The understanding of SFMEs is still limited now. In the current work, the phase behavior of the ternary mixture of n-butanol (oil phase), ethanol (amphi-solvent), and water was investigated. The ternary phase diagram shows a single-phase homogeneous region and a multiphase region. The mesoscale structuring was observed within the macroscopically homogeneous single-phase zone near the phase boundary using dynamic light scattering (DLS) and small-wide angle X-ray scattering (SWAXS) techniques. That is, microemulsions are formed in the ternary mixture without the traditional surfactants. In addition, the electrical conductivity and micropolarity of the single-phase mixtures were determined, suggesting the existence of three types of microstructures, i.e., oil-in-water (O/W), bicontinuous (BC), and water-in-oil (W/O), for the SFMEs. The subregions corresponding to the three microstructures were roughly identified in the ternary phase diagram. n-Butanol is one of the extremely weak hydrophobic substances, and the detection of microemulsions in the mixture indicates that the formation of SFMEs is a universal phenomenon. This study provides a better understanding of the phase behavior of ternary liquid mixtures.

Volumetric, Viscometric, Acoustic, and Optical Properties of Ternary Liquid Mixtures Containing 1-Propanol, 1,3-Diaminopropane, and Methyl Acetate at Temperatures of 298.15–318.15 K

Volumetric, Viscometric, Acoustic, and Optical Properties of Ternary Liquid Mixtures Containing 1-Propanol, 1,3-Diaminopropane, and Methyl Acetate at Temperatures of 298.15–318.15 K

Correlating the Density and Refractive Index of Ternary Liquid Mixtures

Some physical properties of ideal solutions, e.g. the molar volume and the molar refraction, vary linearly with composition. Others can be expressed, either as ratios or as products of two other properties which vary with composition in this way. It is postulated that the non-ideal behaviour of real solutions can be adequately modelled by substituting these linear functions with higher order Scheffé polynomials. A suite of such models is presented for which the parameters are fully determined by knowledge of pure component properties and binary behaviour. Their binary data representation ability, and capacity to predict ternary properties, was tested using density and refractive index data for the acetic acid–ethanol-water ternary system as well as fourteen additional ternary data sets. Model performance was ranked on the basis of the Akaike Information criterion. With respect to predicting ternary density and refractive index behaviour from knowledge of binary data, it was found that lower-order models outperformed higher order models.

Surface tension of binary and ternary mixtures mapping with ASP and UNIFAC models based on machine learning

Modeling predictions of surface tension for binary and ternary liquid mixtures is difficult. In this work, we propose a machine learning model to accurately predict the surface tension of binary mixtures of organic solvents-ionic liquids and ternary mixtures of organic solvents-ionic liquids–water and analytically characterize the proposed model. In total, 1593 binary mixture data points and 216 ternary mixture data points were collected to develop the machine learning model. The model was developed by combining machine learning algorithms, UNIFAC (UNIversal quasi-chemical Functional group Activity Coefficient) and ASP (Abraham solvation parameter). UNIFAC parameters are used to describe ionic liquids, and ASP is used to describe organic solvents. The effect of each parameter on the surface tension is characterized by SHAP (SHapley Additive exPlanation). We considered support vector regression, artificial neural network, K nearest neighbor regression, random forest regression, LightGBM (light gradient boosting machine), and CatBoost (categorical boosting) algorithms. The results show that the CatBoost algorithm works best, MAE = 0.3338, RMSE = 0.7565, and R2 = 0.9946. The SHAP results show that the surface tension of the liquid decreases as the volume and surface area of the anion increase. This work not only accurately predicts the surface tension of binary and ternary mixtures, but also provides illuminating insight into the microscopic interactions between physical empirical models and physical and chemical properties.

Estimation of Thermal Conductivities for Binary and Ternary Liquid Mixtures Using Excess Thermal Conductivity Model

Estimation of Thermal Conductivities for Binary and Ternary Liquid Mixtures Using Excess Thermal Conductivity Model

Comparative Study of Molecular Interaction in Ternary Liquid Mixtures of Polar and Non-Polar Solvents

Ultrasonic velocity measurements, density measurements, and viscometric studies were conducted for the ternary mixture of pyridine and toluene separately with N, N-dimethylformamide (DMF) in butanol, at different temperatures and for different concentrations of component liquids. Using these basic experimental data, various acoustic and thermodynamic parameters, such as adiabatic compressibility (β), free length (Lf,), free volume (Vf), etc. were calculated. Also, Excess thermo-acoustical parameters were calculated from the experimentally measured data. The outcomes were expressed in terms of the molecular interactions and the variations in parameters under varying solute concentrations. A comparative study is discussed. Variation in the above parameters for the different mixtures is indicative of the nature of the interactions between the components in the liquid mixture. Concluding remarks regarding intermolecular interactions are provided.

Density and viscosity of liquid mixtures formed by n-hexane, ethanol, and cyclopentyl methyl ether

• Experimental data of density and viscosity of liquid mixtures. • Theoretical modeling of density and viscosity of liquid mixtures. • Equilibrium Molecular Dynamics of density and viscosity of liquid mixtures • SAFT VR Mie EoS couple to FVT for ternary mixtures. Experimental determination, theoretical modeling, and molecular simulation have been combined to describe atmospherical density and viscosity for liquid n-hexane, ethanol, and cyclopentyl methyl ether pure compounds as a function of temperature and all the corresponding binary and ternary liquid mixtures at 298.15 K over the whole mole fraction range. Experimental determinations are carried out using a Stabinger viscosimeter. The reported density and viscosity data are modeled with the Statistical Associating Fluid Theory of Variable Range employing a Mie potential (SAFT-VR-Mie) equation of state coupled to the free volume theory (FVT). All-Atom molecular simulations employ equilibrium molecular dynamics (EMD) to obtain the corresponding densities from Isobaric-Isothermal (NPT) ensemble and viscosities from the microcanonical (NVE) and using the Green–Kubo formulation. According to the results, density and viscosity decrease with temperature for pure liquid fluids. For the case of liquid mixtures, densities and viscosities negatively deviate from the corresponding linear trend, and no ternary stationary points are detected under the explored conditions. The experimental data of both properties in binary mixtures are well correlated by a Redlich–Kister polynomial, and the ternary mixture is acceptably correlated by only using binary parameters. From a theoretical perspective, densities of binary and ternary mixtures are excellently predicted from the SAFT-VR-Mie EoS, whereas viscosities of the binary mixtures are well correlated from SAFT-VR-Mie EoS + FVT, while the viscosities of the ternary mixture are well predicted using the same framework. EMD accurately describes the density of pure fluids and mixtures, but it exhibits more significant deviations in viscosity predictions. Moreover, the qualitative viscosity trend with temperature and composition is maintained. Finally, SAFT-VR-Mie and EMD are used to describe the hydrogen bond (HB) network formed within the mixtures at different alcohol compositions, which is also used to validate the selected association scheme. HB formation varies with respect to ethanol concentration, and the results show a negative deviation from compositions linearity, showing good agreement between both approaches.

“Tri-Solvent-in-Salt” Electrolytes for High-Performance Supercapacitors

Electrolytes chemistry for high-performance supercapacitors (SCs) has been addressed recently, where solvents included in electrolyte composition dissolving or mixing the electrochemically active salts or ILs have been typically seen as a mere medium.[1] Specifically, attention regarding the achievement of high-performacne SCs has also been paid to, e.g., water-in-salt (WIS), solvent-in-salt (SIS), and bi-solvent-in-salt (BSIS) electrolytes, demonstrating that solvent molecules may indeed play a more active role.[2 - 4] In this presentation, we will talk about the design of a tri-solvent-in-salt (TSIS) electrolyte where every solvent contributed (with an IL, i.e., EMIMBF4) to the formation of an electrochemically active hydrogen bond (HB) complex structure. Raman and NMR spectroscopies, as well as molecular dynamic (MD) simulations, helped elucidate the ratio among all compounds (e.g., solvents and IL) in the HB complex structure that best works as an electrolyte. For instance, the eutectic mixture of H2O and dimethylsulfoxide (DMSO) in a 2 to 1 molar ratio primary HB complex structures with mixed EMIMBF4 offers a low melting point and low flammability, then add acetonitrile (CH3CN) in different molar ratios providing an improvement of the rate capability to the resulting electrolyte. As compared to other electrolytes, the TSIS electrolyte composed in a molality of 5.8 m (TSIS-5.8) showed the cost efficiency and exhibited a low self-extinction rate. Moreover, SCs operating with TSIS-5.8, at -70 °C and up to 2.7 V provided energy densities of ca. 49 and 18 Wh kg-1, respectively, power densities of 10,000 and 17,000 W kg-1, the capacitance retention of ca. 82% after 15,000 cycles at 4 A g-1 and a self-discharge as low as 22%. The use of ternary solvent mixtures combining different solvents in the proper molar ratios opens up an easy and low-cost path to design many new electrolytes in terms of non-flammability, non-toxicity, high electrical conductivity, and wide electrochemical stability window (ESW). Forthcoming research could use the knowledge provided by this work in terms of ions solvation and transport in TSIS electrolytes and explore the interfacial interactions between electrolyte and electrode material to determine their respective relevance in the performance of SCs. Keywords: tri-solvent-in-salt (TSIS), hydrogen bond, eutectic mixtures, supercapacitors Reference ： [1] F. Béguin, et al. Carbons and electrolytes for advanced supercapacitors. Adv. Mater., 26 (2014), 2219-2251.[2] Q. Dou, et al. Safe and high-rate supercapacitors based on an ‘‘Acetonitrile/Water in Salt’’ hybrid electrolyte. Energy Environ. Sci, 11 (2018), 3212-3219.[3] X. Lu, et al. Aqueous-Eutectic-in-Salt Electrolytes for High-Energy-Density Supercapacitors with an Operational Temperature Window of 100 °C, from −35 to +65 °C. ACS Appl. Mater. Interfaces 2020, 12, 26, 29181–29193.[4] X. Lu, et al. Aqueous Co-Solvent in Zwitterionic-based Protic Ionic Liquids as Electrolytes in 2.0 V Supercapacitors. ChemSusChem 2020, 13, 5983.[5] X. Lu, et al. EMIMBF4 in ternary liquid mixtures of water, dimethyl sulfoxide and acetonitrile as “tri-solvent-in-salt” electrolytes for high-performance supercapacitors operating at -70 °C. Energy Storage Mater., 40, (2021), 368-385.

N-Decane+n-Undecane+n-Tridecane 계의 인화점 측정과 계산

Flash point is the most important property that characterize the explosion and fire hazard of liquid mixture. In this paper, flash points of ternary liquid mixture, which is n-decane+n-undecane+n-tridecane system, were measured with Seta flash tester. Measured values were compared with calculated values through Raoult’s law and multiple regression analysis. Absolute average error of the result calculated by Raoult’s law is 1.2 ℃. Absolute average error of the result calculated by multiple regression analysis is 1.0 ℃. As can be seen from absolute average error, the values calculated through multiple regression analysis are more effective than those calculated according to Raoult’s law.

Study on Interaction Capabilities of Ternary Liquid Mixtures by Thermodynamic Parameters at 308.15 K

Thermodynamic properties provide a deep and significant insight of the various interactions taking place multi component liquid mixtures especially in the field of petrochemical and reservoir engineering. The density, viscosity and ultrasonic velocity were measured experimentally for diethylmalonate (DEM) +1,4-dioxane with nitrobenzene (TM-1) and diethylmalonate (DEM) +1,4-dioxane + toluene (TM-2) at the temperature of 308.15K and atmospheric pressure over the entire range of mole fraction. The excess thermodynamic properties such as excess volume (VE), excess adiabatic compressibility (ΔKs), excess viscosity (Δɳ), excess free volume (ΔVF), excess free length (ΔLF), excess isothermal compressibility (ΔβΤ), were calculated from measured values and applied to Redlich - Kister polynomial equation to determine the appropriate coefficients. The excess or deviation properties were found to be either negative or positive depending on the molecular interactions and the nature of liquid mixtures. The deviations of the ternary mixtures from its ideal behaviour were determined in order to investigate the molecular interaction between the components of ternary liquid mixtures.

Introducing hydrogen bonding contribution to the Patel-Teja thermal conductivity equation of state for hydrochlorofluorocarbons, hydrofluorocarbons and hydrofluoroolefins

The hydrogen bonding contribution has been added to the Patel-Teja thermal conductivity equation of state for the first time to compute the thermal conductivity of the liquid mixtures containing hydrochlorofluorocarbons, hydrofluorocarbons and hydrofluoroolefins. The coefficients of the pure fluids are determined by using 4 strategies. Then an appropriate mixing rule and the cross association terms have been used, and the present model is used for binary and multicomponent mixtures of the liquid phase. The accuracy of this model has been determined through the thermal conductivities of 12 binary liquid mixtures and 1 ternary liquid mixture. Furthermore, the model is used with and without binary interaction parameters to test the predictions of the present thermal conductivity equation of state. The predictions of this model show that the application of hydrogen bonding contribution and the first strategy results in generally low deviations for the liquid mixtures (Overall AAD% is 7.15% and 6.18% without and with binary interaction parameters, respectively).

Study for molecular interaction of euphorbia nivulia buch ham. Leaves extracts in ethanol at different concentration.

In last few decades, use of medicinal plants as remedial agents gain attention. The remedial properties of any plant or plant products based on their phytochemical constituents.The study of that phytochemical serve as a source of new drug development.The present paper provides information is for the first time about the investigation of Ultrasonic acoustic parameters of Ethanolic extract of leaves of Euphorbia Nivulia. Euphorbia Nivulia is thorny, xerophytic, succulent plant belong to spurge family, Euphorbiaceae. Ultrasonic studies provide valuable information about the nature of molecular interaction in binary or ternary liquid mixture. For these purpose Ultrasonic velocity, density, viscosity measured for pure liquid and its mixture with leaves extract of Euphorbia Nivulia. The acoustic parameter have been calculated from experimental data to analyse certain physiochemical properties of plant extract.