Ternary Viscosity Research Articles

Viscosity and melting temperature prediction of mold fluxes based on explainable machine learning and SHapley additive exPlanations

Viscosity and melting temperature are indispensable properties for mold flux design and evaluation, significant investment is required for measurement. In this paper, viscosity and melting temperature predictive model for mold fluxes were established and trained based on 3300 groups of data and four representative machine learning algorithms. The gradient boosting regression tree (GBRT) algorithm-based model performed best prediction with the determination coefficient R2 of 0.969 and 0.900 for viscosity and melting temperature. It also far outperforms the widely used viscosity and melting temperature prediction models, with a least mean deviation of 7.06% and 0.8%. SHapley Additive exPlanations (SHAP) analysis revealed that Al2O3, followed by SiO2 showed the strongest positive correlation with viscosity, Na2O has the greatest negative contribution to melting temperature. Ternary viscosity and melting temperature distribution diagrams were constructed to visualize the prediction results. Insights from this study will highly benefit computer-aided design of mold fluxes with desired properties.

Experimental measurements and modelling of viscosity and density of calcium and potassium chlorides ternary solutions

Measured viscosity and density data for ternary aqueous solutions of CaCl2 and KCl are presented at temperatures between 293 and 323 K with 5 K increment. A modified Jones–Dole was introduced by adding extra terms and proved to be suitable for modelling of the viscosity data. Goldsack and Franchetto, Hu and Exponential models are used to correlate the viscosity data, too. Al models are correlated as a function of temperature and concentration. All models had successfully predicted the viscosity with high precision reaching a maximum average absolute deviation (AAD) of less than 2.3%. The modified Jones–Dole showed the best results among other models. Viscosity of the ternary solution is higher than the viscosity of water by about 15% at low concentrations and reaches about 270% at the highest concentrations. The amount of CaCl2 has more significant effect on the ternary mixture viscosity compared to KCl. This has created difficulty in measuring the viscosity and consequently the challenge in finding the different models parameters. Ternary solution densities were successfully correlate with Kumar’s model with AAD of less than 0.4%. Comparison of the ternary solution density and viscosity with the few available data literature showed a good agreement.

Characterization of ternary compound viscosity reducer system on viscosity of viscous crude oil

ABSTRACTBased on the theory that viscous crude oil can form stable two-phase oil-water interfacial molecular membrane with surfactant, the oil-water interfacial activity and viscosity reduction of oil-water interface of viscous crude oil were studied for the ternary compound system, including anionic surfactant alpha olefin sulfonate (AOS), weak alkali Na2CO3 and four different kinds of nonionic surfactant emulsifying silicon oil (LKR-1023), lauryl diethanolamide (LDEA), isomeric alcohol ethoxylates (E-1306), and polyoxyethylene sorbitan monooleate (T-80). Results showed when lipophilic or hydrophilic nonionic surfactants were used separately in the same compound system. The viscosity of viscous crude oil could be reduced, but the viscosity reduction efficacy was not desirable. However, using LKR-1023, E-1306, and T-80 as nonionic surfactant with mass fraction 1.0%, the viscosity reduction rate of viscous crude oil reaches 98.92%, 98.29%, and 96.87%, respectively. With 1.4% of LDEA, the viscosity reduction rate of viscous crude oil can reach 98.89%. Through all different kinds of the nonionic surfactant tested, oil-in-water (O/W) emulsion under LDEA ternary compound system has been proved to be the most stable with no phase inversion. Therefore, it is promising to improve the viscosity reduction of the super viscous crude oil by selecting the proper surfactant and dosage.

Viscosity estimation of ternary mixtures containing ionic liquid from their binary subsystems: A comparison of three viscosity equations

Viscosity of the mixture containing ionic liquid (IL) is important for engineering design and application. The modeling of viscosity of the ternary mixtures containing IL is still in its infancy. The aim of this work is to evaluate the predictive ability of the semi-theoretical viscosity equations based on Eyring’s absolute rate theory and excess Gibbs free energy model for the ternary mixtures containing IL in terms of the viscosity of their binary subsystems. Three viscosity equations namely Eyring-UNIQUAC, Eyring-NRTL, and Eyring-Wilson equations are employed and extended to estimate the viscosity of ternary mixtures of IL with two molecular solvents using the interaction parameters obtained from their binary subsystems. The results were compared and discussed. The correlation results of the viscosity for 30 binary subsystems with 444 data points show that the Eyring-Wilson equation has more applicability and precision than those of the Eyring-UNIQUAC and Eyring-NRTL equations. Accordingly, the prediction results of the viscosity for 13 ternary mixtures containing IL with 813 data points indicate that the Eyring-Wilson equation has much better predictive ability than that of the Eyring-UNIQUAC and Eyring-NRTL equations. Moreover, the Eyring-Wilson equation can be used to predict the ternary viscosity at other temperature such as 313.15 K using the interaction parameters obtained from their binary subsystems at 298.15 K.

Measurement and Correlation of the Physicochemical Properties of Novel Aqueous Bis(3-aminopropyl)amine and Its Blend with N-Methyldiethanolamine for CO2 Capture

Physicochemical properties such as density and viscosity of aqueous novel bis(3-aminopropyl)amine (APA) and an aqueous novel blend of N-methyldiethanolamine (MDEA) and APA solutions as well as solubility and diffusivity of N2O into these binary and ternary solutions were measured from temperature T = 298 to 323 K at atmospheric pressure. In this study, experiments cover the molality range for APA = 0–1.291 mol·kg–1 and MDEA = 2.915–4.416 mol·kg–1. The diffusivity and solubility experiments were conducted with a wetted wall column absorber and Corning glass equilibrium cell, respectively. The experimental binary and ternary density data as well as binary viscosity data were correlated by Redlich–Kister equation whereas ternary viscosity data were correlated by the Grunberg and Nissan model. On the other hand, solubility and diffusivity were correlated with different models. All of the correlations based on the different model performed are capable of adequately predicting experimental physicochemical data.

Pilot plant study on the extractive distillation of toluene–methylcyclohexane mixtures using NMP and the ionic liquid [hmim][TCB] as solvents

Abstract The separation of the close-boiling point mixture: toluene – methylcyclohexane can be carried out by extractive distillation using the ionic liquid 1-hexyl-3-methylimidazolium tetracyanoborate ([hmim][TCB]), reported as promising solvent for the separation of this mixture. However, the polar nature of ionic liquids causes the formation of two liquid phases which can be overcome with high solvent-to-feed ratios (S/F) resulting in high liquid phase viscosities that cause mass transfer limitations. Experiments in an extractive distillation pilot plant were performed with the objective of firstly exploring different operating conditions and secondly to compare the mass transfer efficiencies produced by [hmim][TCB] and the reference organic solvent N -methyl-2-pyrrolidone. Pure viscosity, density and surface tension data as well as ternary viscosity and density data of tolune – methylcyclohexane - [hmim][TCB] were measured to compute the mass transfer efficiency. From pilot plant experiments it was found that all the studied operating conditions did not form two-liquid phases. However, the high solvent-to-feed ratios increased the liquid phase viscosities and consequently the use of this ionic liquid produces Height Equivalent to a Theoretical Plates ( HETPs ) twice as high as the reference solvent NMP causing slightly lower top purities and a longer required distillation column for a required separation.

Application of Tea Polyphenols to Edible Oil as Antioxidant by W/O Microemulsion

The lipophilic properties of tea polyphenols have restricted their application as a natural antioxidant in oils. In order to increase the weight percentage of tea polyphenols in edible oil, a water-in-oil (W/O) microemulsion (ME) of Tween 80/Span 80/ethanol/soybean oil/H2O for envelopment of tea polyphenols was prepared. The ternary phase diagram, electrical conductivity, particle size, viscosity, rheological behavior, and oxidation resistance potential of the ME were investigated. The results showed that (1) the W/O ME formed when water content was below 30%; (2) the mean particle size of the ME system was about 8.40 nm and basically remained stable for 45 days; (3) the ME was characterized as pseudoplastic at low shear rate and as Newtonian viscous fluid at high shear rate; moreover, it had acceptable salinity and pH tolerance; and (4) peroxide value determination indicated the antioxidant effect of the ME was enhanced by the addition of tea polyphenols.

Viscosity prediction of ternary mixtures containing ILs using multi-layer perceptron artificial neural network

Ionic liquids (ILs) have been considered as a good candidate to be replaced by the conventional solvent in recent years due to their potential consumptions and unique properties. In the present study, artificial neural network was used to predict the ternary viscosity of mixtures containing ILs. A collection of 729 experimental data points were gathered from the previously public shed literatures. Different topologies of a multilayer feed forward artificial neural network (MFFANN) were examined and optimum architecture was determined. Ternary viscosity data from the literature for 5 ILs with 547 data points have been used to train the network. In addition, to differentiate dissimilar substances, the molecular mass and boiling point temperature of the three components and two compositions of the non-ILs components were considered as input variables. It must be mentioned that due to the high boiling temperature of the ILs, most of them decomposes before achieving their boiling point. Therefore, Valderrama group contribution method was utilized to obtain the boiling points of the ionic liquids used for this study. Finally, the capability of the designed network was tested by predicting ternary viscosity of mixtures not considered during the training process of the network (182 ternary viscosity data points for 5 ILs). The results demonstrated that the proposed network was able to well predict the ternary viscosity data points even by using the predicted values of boiling temperatures of ionic liquids.

Study of the molecular interactions, excess molar volumes and viscosity deviations of ternary systems of 1-butanol (1) + 2-butanol (2) + 1,2-butanediol (3) at 303.15 K

This article reports experimental densities and viscosities of ternary systems of 1-butanol (1) + 2-butanol (2) + 1,2-butanediol (3) and the binary systems of 1-butanol (1) + 2-butanol (2), 1-butanol (1) + 1,2-butanediol (3), and 2-butanol (2) + 1,2-butanediol (3), over the entire range of composition at 303.15 K. Excess molar volume , viscosity deviations Δη 123 for viscous flow were evaluated from the experimental data obtained. These derived properties for binary and ternary systems were fitted to Redlich–Kister and Cibulka's equations, respectively. The data and values were negative over the whole range of composition. Several semi-empirical relations are used to predict the binary and ternary viscosities and excess molar volume, and viscosity deviations from experimental results on the constituted ternaries and analysed to discuss the nature and strength of intermolecular interactions in these mixtures.

Application of the Kaptay model in calculation of ternary liquid alloys' viscosities

Abstract An equation, based on the Eyring equation of viscosity, has been recently derived by Kaptay to extrapolate dynamic viscosity of pure liquid metals to the viscosity of liquid metallic alloys. The results of its application to ternary metallic alloys, calculated on the basis of the known concentration dependence of the integral enthalpy of mixing and excess molar volume of investigated alloys, are presented in this paper. As an example, viscosities of ternary Au – Ag – Cu alloys have been calculated in the temperature interval 1373 – 1573 K and compared with literature data.

An optimal method to calculate the viscosity of simple liquid ternary alloys from the measured binary data

An optimal method to calculate the viscosity of simple liquid ternary alloys from the measured binary data is investigated in this paper. In order to find a relationship which describes the ternary viscosity data from binary data most adequately, a comparison was made between three different approaches tested on the example of the Au–Ag–Cu system. The optimal method turned out to be the extension of the Redlich–Kister polynomial to excess viscosity without any ternary term. This optimal method was applied further on the Fe–Ni–Co system. The estimation of viscosities for liquid Fe–Ni–Co alloys was done in different sections with molar ratio of two components equal to 1:1, 1:3 and 3:1. A diagram showing iso-viscosity lines was constructed at the investigated temperature of 1873 K.

Dynamic viscosities of the ternary liquid mixtures (dimethyl carbonate + methanol + ethanol) and (dimethyl carbonate + methanol + hexane) at several temperatures

Densities, ρ speeds of sound, u and dynamic viscosities, η of the ternary mixtures {dimethyl carbonate (DMC) + methanol + ethanol} and (dimethyl carbonate + methanol + hexane) were gathered at T = (293.15, 298.15, 308.15, and 313.15) K. From experimental data viscosity deviations, Δ η of the ternary mixtures were evaluated. These results have been correlated using the Cibulka equation. The fitting parameters and the standard deviations of the ternary viscosity deviations are given. UNIFAC-VISCO group contribution method was used to predict the dynamic viscosities of the ternary mixtures at several temperatures.

Densities, viscosities and water activities of ternary NaCl–glucose syrup–water systems from 283.1 to 298.1 K

The densities and viscosities of ternary NaCl–glucose syrup–water systems were measured in the 283.1–298.1 K temperature range and the water activities were measured at 298.1 K. NaCl and glucose syrup molalities ranged from 0 to 6.0 mol kg −1 and from 0 to 1.91 mol kg −1, respectively. “Dextrose equivalent” (DE) glucose syrup value was 21 and the median molecular weight was 1.007 (kg mol −1). Experimental density, viscosity and water activity data were fitted by a five-parameter correlation, an eight-parameter polynomial and a five-parameter polynomial correlation, respectively with deviations of less than 0.5%, 2.3% and 0.9%, respectively. The presence of NaCl was found to be responsible for excess volume. There was a major contribution of interaction terms in the calculation of the ternary viscosity, particularly for high viscosity. While these ternary systems are used in the dehydration–impregnation soaking (DIS) process, the technological consequences of the findings were discussed in terms of DIS process optimization, mass transfers, solution management.

Study on Properties Derived from Densities and Viscosities for the Ternary Systems (Methyl Pentanoate or Methyl Heptanoate) + Octane + 1-Hexanol and Their Binary Subsystems at Various Temperatures

The density and kinematic viscosity of the binary systems (methyl pentanoate or methyl heptanoate) + 1-hexanol and octane + 1-hexanol were determined at (293.15, 303.15, and 313.15) K and atmospheric pressure over the whole concentration range. Moreover, the same properties were determined for the ternary systems (methyl pentanoate or methyl heptanoate) + octane + 1-hexanol at the same experimental conditions. The experimental binary and ternary viscosities were used to evaluate the applicability of several empirical and semiempirical correlation models available in the literature. The excess volumes of the binary and ternary mixtures were compared to those predicted by the group-contribution model proposed by Nitta et al. using structural and energetic parameter sets previously reported in the literature. Also, viscosities were used to test the predictive capability of two group-contribution models (UNIVAC and UNIFAC-VISCO).

Estimating ternary viscosity using the thermodynamic geometric model

In this paper, a new method for estimating ternary viscosity in terms of an extension of Chou’s thermodynamic geometric model[1,2] has been developed. This new method has been employed to evaluate the viscosity of the Au-Ag-Cu ternary system. Good agreement between the calculated and experimental data in the ternary system indicates that this approach can be successfully used to predict viscosity of ternary and multicomponent systems. Currently, this method requires less information than any other for the calculation of viscosity for a multicomponent system.

Viscosity and density data of the system water + n-pentyl acetate + methanol : Calculations with a modified Redlich–Kwong–Soave equation of state

The viscosities and the densities of the ternary mixtures water+ n-pentyl acetate+methanol and those of the constituent binaries have been measured at 303.15 K and atmospheric pressure in the homogeneous region. The respective viscosity deviations and excess molar volumes were fitted to a Redlich–Kister (RK) type equation. A modified Redlich–Kwong–Soave equation of state due to Fuller was used with the Eyring kinematic viscosity model to correlate viscosities of binary data. The equation of state constants were calculated using the van der Waals one-fluid mixing rules with the cross-parameters, a ij , obtained with the classical and a two-parameter Redlich–Kister combining rules. The new model correlates the viscosity of the binaries with an average absolute deviation <2%. Using the binary interaction parameters obtained from the regression of viscosity data the ternary viscosity and the binary and ternary density were also successfully predicted with an average absolute deviation of the same order of magnitude.

Volumetric properties and viscosities of the methyl butanoate + n-heptane + cyclo-octane ternary system at 283.15 and 313.15 K and its binary constituents in the temperature range from 283.15 to 313.15 K

The density and kinematic viscosity of the systems methyl butanoate+cyclo-octane and n-heptane+cyclo-octane were determined at four temperatures in the range 283.15–313.15 K over the whole concentration range. The densities and viscosities of the ternary system methyl butanoate+ n-heptane+cyclo-octane were determined at 283.15 and 313.15 K. For the binary systems, the dependence of V E on composition and temperature was obtained in order to calculate other mixture properties, such as the isobaric thermal expansion coefficients, the temperature coefficients of the molar excess volume and the pressure coefficients of the molar excess enthalpy. In the case of the system n-heptane+cyclo-octane the values of these properties and have been compared with those predicted using the group-contribution model by Nitta et al. in combination with a parameters set available in the literature. Experimental binary and ternary viscosities were correlated for comparison, by means of several empirical and semi-empirical models. Kinematic viscosities were also used to test the predictive capability of the group-contribution model UNIFAC-VISCO. In addition, several empirical equations for predicting ternary properties from only binary results have also been applied.

Estimating ternary viscosity in terms of Moelwyn-hughes' model

In the present work, a new method for estimating the ternary viscosity based on a combination of Moelwyn-Hughes'[1] and Chou's thermodynamic geometric model [2–3] has been developed. This new method has been employed to evaluate the viscosities of AuAgCu ternary system. The good agreement between the calculated and experimental data in the ternary system indicates that this approach can be successfully used to predict the viscosities of ternary and multicomponent systems.

Calculation of Viscosity of Ternary and Quaternary Liquid Mixtures

The calculation of the viscosity of 51 multicomponent (48 ternary and 3 quaternary) nonelectrolyte liquid systems has been performed by means of a model based on Eyring's theory of viscous flow and the UNIQUAC equation. More than 1000 viscosity data points, under 0.1 MPa and in the temperature range of 283.15−323.15 K, have been calculated. The model is based on pure-component viscosities, pure-component molar volumes, and pure-component size and shape parameters, as well as two interaction parameters per binary system. The model binary interaction parameters were determined previously by correlation of experimental literature data on the viscosity of binary systems. A rather good agreement between experimental and calculated viscosities of ternary and quaternary liquid mixtures has been achieved. The overall mean relative standard deviation of the calculation is 2.95%. The results show that the model is adequate for estimating liquid mixture viscosities for different types of mixtures containing polar and nonpolar components.

Densities and Viscosities of Ternary Systems of NaCl−Sucrose−Water from 283.15 to 303.15 K

Densities and viscosities of ternary systems of NaCl−sucrose−water were measured in the range 283.1 to 303.1 K. NaCl and sucrose molalities ranged from 0 to 6 mol·kg-1 and 0 to 5.55 mol·kg-1, respectively. For density, experimental data were fitted by a five-parameter correlation with a goodness of fit approximating experimental error. The presence of NaCl was found to be responsible for excess volume. For viscosity, a five-parameter polynomial correlation gave the dependence of dynamic viscosity on aqueous molalities and temperature, with a deviation less than 3.8%. There was a major contribution of interaction terms in the calculation of the ternary viscosity, particularly for the high viscosity level.