Search

The present work investigates the volumetric and viscometric properties of an aqueous solution of 1,2-dimethylethylenediamine (DEEDA) over an entire concentration range and an absorber operating temperature range of 313.15K-333.15K at atmospheric pressure. The investigated volumetric properties included the density, excess molar volume, partial molar volume, and the investigated viscometric properties included the viscosity, viscosity deviation, free energy for activation of viscous flow, excess free energy for activation of viscous flow, and excess entropy for activation of viscous flow. The results indicated that there are strong intermolecular interactions and suitable molecular packing in the binary DEEDAewater mixture. Hence, the mixture was found to deviate from a real mixture according to the calculated excess properties. The DEEDA solvent's preliminary volumetric and viscometric properties revealed convincing potential as a novel amine for carbon capture. Additionally, the Redlich-Kister-based correlations showed favorable correlative performance for excess molar volume, viscosity deviation, and excess entropy for activation of viscous flow. [ABSTRACT FROM AUTHOR]

Amino-functionalized ionic liquids are potential and promising media for CO2 absorption, separation, and biocatalysts due to their greenness, favorable fluidity, higher positive charge density, and rich pore structure characteristics. Two new binary mixtures, {1-aminopropyl-3-methylimidazolium tetrafluoroborate ([NH2−Pmim][BF4]) + dimethyl sulfoxide (DMSO)} and {[NH2−Pmim][BF4] + acetonitrile (ACN)}, were prepared to investigate the thermodynamic properties and internal interaction behaviors. First, the thermodynamic properties such as dynamic viscosity, density, electrical conductivity, and refractive index of the two mixture systems over the entire concentration range were measured from 288.15 to 353.15 K. By the Arrhenius equation and Vogel−Fulcher−Tamman (VFT) equation, the temperature dependence on electrical conductivity was graphically described. To investigate the internal interactions of the mixtures, the excess molar volume (VE), and viscosity deviation (Δη) were calculated and discussed by using the measured experimental data and Redlich−Kister equation fitting. Further, the structures and energies of the cation, anion, ion pairs, and solvent molecules were obtained by density functional theory (DFT) calculations to evaluate the intermolecular interactions among the different components of the mixture systems. Also the σ-profile provided the relationship between hydrogen bond donor and acceptor between IL and solvents. [ABSTRACT FROM AUTHOR]

In this study, the density (ρ) and viscosity (η) of binary mixed solutions of PEG400 and 1,2-PDA at T = (293.15–318.15) K under atmospheric pressure were determined. With these data, the mixed solutions were investigated for excess properties, i.e., deviation viscosity (∆η), excess molar volume ( V m E ), and excess Gibbs free energy (∆G*E). The deviations of Δη, V m E , and ∆G*E from ideal solution behavior are indicative of strong intermolecular interactions between PEG400 and 1,2-PDA. Through the study of the spectral properties of the mixture (FTIR, Raman, UV–Vis, FLS, and 1H.NMR), it is more clearly proved that the interaction between the molecules of the mixture is hydrogen bonding. The results provide a basis for engineering design, and fundamental data for the application of the binary system in a wider range of fields. [ABSTRACT FROM AUTHOR]

The combination of primary and tertiary amines represents a promising approach to improve sorbent performance in CO 2 capture by enhancing absorption efficiency and reducing regeneration energy. This study focuses on investigating the absorption performance of binary mixtures of ethanolamine (MEA) and N,N-dimethylethanolamine (DMEA) at temperatures between 298–323 K and CO 2 partial pressures between 5–60 kPa. The species generated during the absorption were analyzed using 13C NMR spectroscopy, to clarify the intricate role of MEA and DMEA in the capture process. A developed excess property model for MEA-DMEA, based on excess CO 2 loading, predicted equilibrium CO 2 solubility data with an average absolute relative deviation (AARD) of 1.6 %. Additionally, the machine learning models XGBoost, RBFNN, and SVR were applied, providing AARD values between 0.86 % and 1.28 %, demonstrating strong agreement between experimental and predicted outcomes. These comprehensive findings enhance our understanding of mixed amines' mechanisms and practical applications, contributing to ongoing research development. [ABSTRACT FROM AUTHOR]

The reported experimental density and viscosity of polyethylene glycol 600 + methanol, ethanol, 1-propanol, and 2-propanol were mathematically represented using a simple and single mathematical model, namely, the Jouyban–Acree model. The results obtained revealed that one may accurately calculate the density, viscosity, and the physico-chemical properties derived from these values using a single mathematical model. [ABSTRACT FROM AUTHOR]

For three binary mixtures composed of ionic liquid 1-butyl-3-methylimidazolium tetrafluoroborate ([Bmim][BF4]) with 2-propanol, N,N‑dimethylacetamide (DMA) and N,N‑dimethylformamide (DMF), the values of the experimental density and viscosity over the whole composition range for T = (293.15 to 323.15 K) are reported. Excess molar volume V m E , partial molar volume V i ¯ , and the deviation in viscosity Δ η are calculated and explained in order to clarify the intermolecular interactions among the species in the mixtures. For all of the binary mixtures, the negative values of V m E and Δ η were fitted with the Redlich–Kister polynomial function. An increase in temperature decreases the values of V m E and increases the values of Δ η . The results have been discussed regarding binary interaction forces and the formation of a complex between dissimilar molecules. For the correlation and prediction of the binary system densities, perturbed chain statistical associating fluid theory (PC-SAFT) was used. The results obtained from this theory are consistent with the experimental data. [ABSTRACT FROM AUTHOR]

In this work, a series of thermophysical properties (apparent specific volume, excess molar volume, excess Gibbs energy of activation for viscous flow, coefficient of thermal expansion, excess coefficient of thermal expansion) of poly (ethylene glycol) 600 (PEG600) + methanol, ethanol, 1-propanol, and 2-propanol binary liquid mixtures were determined based on density and viscosity experimental measures at 293.15 K, 298.15 K, and 303.15 K and refractive indices at 298.15 K. After that, the obtained excess parameters were used to analyze the inter-intra molecular interactions in the liquid mixtures. In order to estimate the interaction parameters, the excess molar volume results were fitted to Redlich–Kister polynomial. Moreover, a set of semi-empirical relations were proposed to predict the viscosity of liquid mixtures. [ABSTRACT FROM AUTHOR]

Understanding how minor actinides affect the synroc stability is very important for waste management. After a careful review of literature, however, existing reports did not reach a satisfactory level on the effect of minor actinides on monazite structural properties. In this study, the electronic properties, structures, defect formation energies and excess properties of Am-doped LnPO 4 (Ln = La, Ce, Nd, Sm, Eu, Gd) monazites were investigated by first principles calculations. The calculation results indicate that the inner shell Am-5 f orbital can participate in chemical bonding with O-2 p orbital in all considered monazites. By analyzing their structures, we find the lengths of Am–O bond in Ln-monazite from La to Gd are gradually shortened, resulting in the shrinkage of [AmO 9 ] polyhedron along the lanthanides, which is different from the evolution of their lattice parameters. This shrinkage plays an important role in the Am defect stability. For instance, the calculated vacancy defect formation energy reveals that the Am has a stronger binding energy in Gd-monazite, making it more difficult to form a vacancy defect. Moreover, after analyzing the thermodynamic excess properties, we find that Am-doped NdPO 4 monazite has the highest thermodynamic stability, and all the Ln 1- x Am x PO 4 solid solutions can remain phase stable above 285 K. • The inner shell Am-5 f orbital participates in chemical bonding with O-2 p orbital. • The contraction of Am polyhedron leads to lattice distortion of Ln-monazite. • The Am–O bond has the highest binding energy in Gd-monazite. • The Am-doped NdPO 4 monazite has the highest thermodynamic stability. • The Ln 1- x Am x PO 4 monazites keep phase stable above 285 K. [ABSTRACT FROM AUTHOR]

Imidazolium-based ionic liquids (ILs) are widely used in bio-chemical processes for biofuel production. Ionic liquids always possess high viscosity that would impede the dissolution process of biomass and decrease the transfer rate. In this work, four organic solvents of N , N -dimethylacetamide (DMA), N , N -dimethylformamide (DMF), dimethyl sulfoxide (DMSO), and pyridine (PYR) are chosen as the diluent to improve the properties of IL, namely, 1-ethyl-3-methylimidazolium acetate ([C 2 mim][OAc]) that shows promise for biofuel process in recent studies. The experimental density and viscosity of the binary mixtures are determined to quantitatively evaluate the effects of organic solvents on IL. The thermal expansion coefficient is derived from the experimental data. The excess properties are calculated to study the molecular interaction. • The experiment was conducted to evaluate the effects of organic solvents on lowering the viscosity of IL. • The experimental studies show that a small volume of organic solvents will significantly improve the viscosity of IL. • Negative viscosity deviations are observed, indicating that weaker interactions may be formed in the binary mixtures. [ABSTRACT FROM AUTHOR]

Abstract A flow calorimeter was used to determine the isobaric molar heat capacities of mixtures containing ethyl laurate and ethanol at temperatures from 313.15 K to 343.15 K and pressures up to 25 MPa. The experimental system was verified by measuring the isobaric molar heat capacities of pure ethanol at different temperatures and pressures, and the relative expanded uncertainty of the measurement results was estimated to be lower than 1.45%. Then, the excess molar heat capacity which characterizes the deviation of the mixtures from the ideality was evaluated. Moreover, the excess molar heat capacities were analyzed, and a Redlich-Kister type correlation was presented for fitting. After that, absorbing the Redlich-Kister correlation, a new correlation for the isobaric molar heat capacities of mixtures was proposed, and the calculated results were compared with the experimental data. At last, to reduce the parameters used in calculation process, another correlation for the isobaric molar heat capacities of mixtures was also proposed, and a comparison of two correlations was implemented. Highlights • C p of mixtures containing ethyl laurate and ethanol at high pressures were reported. • The excess values of C p were analyzed. • Two correlations for C p of mixtures were proposed and compared. [ABSTRACT FROM AUTHOR]

Accurate experimental isobaric densities and viscosities data between 288.15 and 318.15 K at 5 K intervals for five binary liquid mixtures of endo-dicyclopentadiene with 2,2-dimethylbutane, 3-methylpentane, n-hexane, n-heptane and 2,2,4-trimethylpentane are reported. Excess molar volume, VmE, viscosity deviation, Δη, excess Gibbs energy of activation of viscous flow, G*E, have been calculated from these data and fitted by the Redlich-Kister-type equation. Prigogine-Flory-Patterson theory, Eyring-NRTL, Eyring-UNIQUAC, Eyring-Wilson, NRTL, UNIQUAC and Heil models have been applied to the binary systems. [ABSTRACT FROM AUTHOR]

Alkyl carbonate and γ -butyrolactone (GBL) are attractive organic electrolyte materials that are stable over a wide range of operating voltages and ethylene sulfite (ES) is used as a supplementary film-forming electrolyte additive for lithium ion batteries (LIBs). This paper reports the solid-liquid phase equilibrium (SLE) data and the thermo-physical mixture properties such as the density, refractive index, excess and deviation properties for organic liquid electrolyte solutions of carbonate-based or GBL electrolytes containing ES. The SLE data were correlated with two activity coefficient models: NRTL and UNIQUAC. In addition, the extent to which the excess volume ( V E ) and molar refraction deviation ( Δ R ) of each of the binary systems correlated with the values calculated using the Redlich-Kister polynomial equations was determined. [ABSTRACT FROM AUTHOR]

The densities ( ρ ) of binary mixtures of benzyl alcohol (BA) with aniline (A), N-methylaniline (NMA), N,N -dimethylaniline (NNDMA), o -chloroaniline ( o -CA) and m -chloroaniline ( m -CA) have been analysis at different temperatures. Further, the speeds of sound ( u ) were measured at 303.15 K and 313.15 K temperatures of the above said systems. The excess molar volumes ( V E ) and excess isentropic compressibilities ( κ S E ) calculated by using experimental data. The measured thermo physical properties were fitted in terms of R.K & HW equations. The measured u values were compared with Jacobson's free length theory (FLT) and Schaff's collision factor theory (CFT). The experimental and theoretical investigations have been playing a dominant role in the elucidation of hydrogen bond in solute, solvent and solute-solvent of the mixture. The results has been further confirmed by the existence of solvent-solute interactions of hydrogen bonding between benzyl alcohol and amines through Fourier transform Infrared and Nuclear Magnetic Resonance data at equimolar composition. The analysis of intermolecular hydrogen bond association through electron density, natural bond orbital analysis using density functional theory (DFT). The position and design of intensity of –OH and –NH 2 bands as per Nuclear Magnetic Resonance and Fourier transform Infrared spectroscopic data strongly supported by the conclusion that molecular association of inter molecular hydrogen bonding through excess properties have been observed. Further, the molecular dynamics (MD) simulations have been performed in liquid phase used to calculate the radial distribution functions of the pure components and mixtures with equimolar mole fractions at 298.15 K and 1 atm. From the molecular dynamics simulation and quantum calculations it has been confirmed the existence of H-bond between component molecules. [ABSTRACT FROM AUTHOR]

Graphical representation of study of thermodynamic properties of binary solutions: FTIR and computational evidence. [Display omitted] • Volumetric, acoustic and derived properties were reported for three binary systems. • The negative VE magnitude suggests strong interactions between unlike molecules due to hydrogen bond formation. • The negative sign of κ s E for all binary mixtures suggests less compressible than the corresponding ideal mixture. • FTIR and DFT data also confirm the strength of molecular interactions by hydrogen bond formation in solution. In this study, density of pure liquids and their binary mixtures of benzylalcohol (BA) with methyl acetoacetate (MAA), ethyl acetoacetate (EAA) and allyl acetoacetate (AAA) were measured experimentally at T=(298.15–313.15) K and P = 0.1 MPa by using Rudolph Research Analytical digital densitometer. Experimental data was correlate by applying Jouyban–Acree theoretical equation. Furthermore, the speed of sound of all studied pure and their binary solutions were measured at T= (298.15 and 308.15) K at atmospheric pressure at 2 MHz. The experimental density and speed of sound data further were used to calculate the excess molar volume (V m E), isentropic compressibility (κ s), excess isentropic compressibility (κ s E) and excess speed of sound ( u E) at all compositions and temperature ranges. The calculated V m E , κ s E , u E and experimental speed of sound were compared with theoretical models such as Redlich-Kister, Hwang, CFT and FLT equations. The obtained data were analyzed in terms of intermolecular interactions such as hydrogen bond formation between two atoms of benzylalcohol and acetoacetates. Among all the three systems, BA + MAA showed highest negative excess molar volume magnitude due to the change of molecular geometry through the keto-enol tautomerism. The negative magnitude of V m E data confirms the formation of H-bond between the –OH---O- groups of component molecules. Similarly, BA + EAA system showed highest negative magnitude of κ S E owing to the more compressible than resultant ideal solutions. The deviation in κ S E magnitude in binary systems due to the geometrical fitting and specific interactions in atoms of the benzylalcohol and acetoacetates. Furthermore, the existence of hydrogen bond and its strength in binary mixtures were confirmed by experimental FTIR spectroscopy and theoretical density functional theory (DFT) calculations. [ABSTRACT FROM AUTHOR]

The blending of primary amines, with fast reaction kinetic, together with tertiary amines, with a large loading capacity, is an increasingly popular approach to develop high-performance CO 2 capture sorbents with low energy requirements for regeneration. In this study, we investigated the CO 2 absorption performance of several aqueous solutions obtained by mixing ethanolamine (MEA) and diethylethanolamine (DEEA) and compared them with that of individual MEA and DEEA. CO 2 loadings at equilibrium were measured experimentally under a wide range of operating conditions, at temperatures between 298 and 323 K, CO 2 partial pressures in the range 5–60 kPa, and different amine mixing ratios. In addition, 13C NMR spectroscopy was employed to elucidate the reaction mechanisms and identify the species formed during CO 2 capture. The results of the study reveal the intricate interplay of MEA and DEEA in CO 2 capture, where MEA carbamate formation predominates in the early stages, gradually shifting to bicarbonate formation as the amine concentration decreases. Moreover, excess properties, which reflect non-ideal behaviors in amine blends, were introduced as a key parameter in the study. An excess property model, based on excess CO 2 loading, was developed to accurately predict the CO 2 equilibrium solubility without constant experimental measurement. As a result, good agreement was found between the experimental data and those calculated with the model (excess CO 2 loading) under the same operating conditions, with a average relative deviation of 1.1%. [Display omitted] • CO 2 equilibrium solubility determined for aqueous MEA/DEEA blends. • Role of amines in solution during CO 2 uptake explained by 13C NMR speciation study. • Excess CO 2 loading introduced to describe deviation from ideal amine mixing. • Development of an excess property model to predict CO 2 equilibrium solubility. [ABSTRACT FROM AUTHOR]

• The densities and viscosities of binary blends 1-decanol + alkyl pyrrolidone (NOP and NDP) were measured. • The excess properties (V E m, Δ η and Δ G *E) were calculated and correlated by the Redlich-Kister equation. • Three fitting results were explained by molar volume and molecular interaction force. • FTIR and UV–vis spectra were performed to characterize the intermolecular hydrogen bond. • Theoretical chemical calculations were performed. Pyrrolidone and long chain alcohols are significant chemical products, which are widely used in petrochemical engineering, biofuels productions, and separations of organic compounds. In this work, the physicochemical data (density and viscosity) of two systems (N -octyl-2-pyrrolidone (NOP) + 1-decanol, N -dodecyl-2-pyrrolidone (NDP) + 1-decanol) were measured at the temperature of 303.15–323.15 K over the entire concentration range and atmosphere pressure. The excess molar volume (V E m), viscosity deviation (Δ η) and thermodynamic parameter (Δ G *E) were calculated and correlated by the Redlich-Kister equation. From the point of molecular interaction force and molar volume (Δ V m), the variation trend and fitted results were explained in detail. Subsequently, the spectroscopic analysis including FTIR and UV–vis spectra proved the existence of intermolecular hydrogen bond between OH group of 1-decanol and N C O group of NOP or NDP. The theoretical chemical calculations further confirmed the hydrogen bond interaction. [ABSTRACT FROM AUTHOR]

This study presents the measured densities and viscosities of three ternary aqueous mixtures of tertiary and primary amines. The tertiary amines of n-methyldiethanolamine (MDEA), dimethylethanolamine (DMEA), diethylethanolamine (DEEA), and the primary amine monoethanolamine (MEA) at different concentrations (mass%) were mixed to prepare the liquid mixtures. The excess molar volume VE of the mixtures was analyzed using measured densities to acquire a better understanding of the molecular packing and intermolecular interactions in the mixtures. The excess free energy of activation ∆GE* and excess entropy of activation ∆SE* for viscous flow were determined from the measured viscosities by implementing the theory of rate processes of Eyring. Correlations based on the Redlich−Kister type polynomial were adopted to correlate the excess properties VE and ∆GE* as a function of the amine mole fraction and temperature. The results showed that the correlations were able to represent the measured data with satisfactory accuracies for engineering calculations.

In this work, the experimental densities and viscosities have been determined for (propylene carbonate + acetonitrile, or dimethyl carbonate, or diethyl carbonate) binary mixtures over the whole concentration range at temperatures (293.15-333.15 K) and the atmospheric pressure. Excess molar volumes (VE), viscosity deviations (∆η), thermal expansion coefficients (α) and excess Gibbs free energy of activation of viscous flow (∆GE*) were calculated. These excess functions and deviations were fit with the Redlich-Kister type polynomial equation. The sign and magnitude of these excess properties have been used to interpret the results in terms of intermolecular interactions and structural effects. The results obtained for viscosity of binary mixtures were also used to test the semi-empirical relations of Grunberg-Nissan and Katti-Chaudhri equations. [ABSTRACT FROM AUTHOR]

The paper reports the thermodynamic and transport properties of the materials that are used in liquid electrolytes of lithium ion batteries (LIBs). Linear and cyclic carbonates are commonly used solvents for organic electrolyte solutions. On the other hand, γ-butyrolactone (GBL) could also be an attractive solvent because it has sufficiently high permittivity to dissociate lithium salts. This prompted us to investigate the thermo-physical properties such as the density, refractive index, kinematic viscosity (298.2 to 328.2 K) and the excess and deviation properties (298.2 to 318.2 K) for a mixture of GBL and diethyl carbonate (DEC) or propylene carbonate (PC). The thermo-physical properties, i.e., the density, refractive index, and kinematic viscosity, were correlated by employing DIPPR, and linear and Goletz/Tassion equations, respectively. The excess and deviation properties were computed and modeled by the polynomial Redlich-Kister equations for each of the binary fractions. [ABSTRACT FROM AUTHOR]

Deep eutectic solvents (DESs) are derived from two or more salts as the hydrogen bond acceptors (HBAs) and hydrogen bond donors (HBDs). In this work, DES namely allyltriphenyl phosphonium bromide-diethylene glycol (ATPPB-DEG) was prepared by using three molar ratios of 1:4, 1:10 and 1:16 salt to HBD. The volumetric properties of aqueous DESs, such as density, molar volume, isobaric thermal expansion, apparent molar volume and apparent molar expansibility were reported at several temperatures from 293.15 to 343.15 K. A mathematical equation, so-called Jouyban–Acree model (JAM), was used to correlate the experimental density and molar volume data of aqueous solution of DESs with respect to the concentration and temperature. The results disclosed that this model is an accurate and reliable model for the prediction of aqueous DES properties. The excess properties, such as excess molar volume and excess isobaric thermal expansion were reported and fitted to two different equations. In order to calculate the limiting apparent molar volume values, the apparent molar volume values were fitted into a Redlich–Mayer equation. By applying the Hepler equation, it was found that DESs with molar ratios of 1:4 and 1:10 are as structure-maker solutes, while the DES 1:16 is a structure-breaking solute in aqueous solutions at different temperatures. [ABSTRACT FROM AUTHOR]

Disulfide oil (DSO) mostly burned or stored is known as a low-grade byproduct in gas refining industries. This material is highly perilous to environment. A common way to reduce the environmental impact of DSO is blending in a specific ratio with gas condensate stream in gas refinery. This would improve DSO quality and consequently strengthen its unique application. In this work, density, viscosity and surface tension of DSO and gas condensate mixtures were measured and modeled. Viscosity and density of DSO, gas condensate, and their mixtures were measured in temperature range of 283.15-318.15 K. In addition, surface tension was measured at 298.15 K at different volumetric fractions of DSO-gas condensate mixture. Excess molar volume ( V ), viscosity deviation (∆ μ), deviation of excess Gibbs free energy (∆ G ), and excess surface tension ( σ ) were determined based on measured properties. Results showed a positive and negative trend for excess molar volume and excess surface tension, respectively. While fluctuation was observed in viscosity deviation and deviation of excess Gibbs free energy and results showed positive and negative values in different mole fraction. In addition, Redlich-Kister equation is proposed to predict excess properties of DSO and gas condensate mixtures. [ABSTRACT FROM AUTHOR]

Thermophysical properties for binary mixture of tetraethylene glycol (T4EG) (1) + 1,2-ethanediamine (EDA) (2), a potential scrubbing solution for the absorption of CO2, are very important as well as lacking in the literatures. This work reports densities and viscosities over the entire concentration range for the binary mixture atT = (293.15-318.15) K under atmospheric pressure. According to the experimental density and viscosity values, the mixtures’ excess molar volume (VmE), absolute viscosity deviation (∆η), excess free energies of activation (∆G E), apparent molar volumes, partial molar volumes and isobaric thermal expansion coefficient were calculated, respectively. Meanwhile, theVmE, ∆ηand ∆G Evalues were fitted by a Redlich–Kister equation to obtain coefficients. To further study, the Fourier transform infrared, UV-Vis and fluorescence spectra of T4EG + EDA mixtures with various concentrations were measured, and the intermolecular interaction of T4EG with EDA was also discussed as the formation of –OCH2CH2O–H···N(H2)CH2CH2(H2)N···. [ABSTRACT FROM AUTHOR]

In our recent work, the binary system of 1,3-butanediol (BTD) (1) + 1,2-ethanediamine (EDA) (2) shows strong solubility to CO 2 with 0.7551 mol CO 2 per mol EDA. In this work, as important thermodynamic properties, densities ( ρ ) and viscosities ( η ) of the binary system of BTD (1) + EDA (2) at T = (298.15, 303.15, 308.15, 313.15, and 318.15) K were carefully measured as a function of composition over the whole concentration range under atmospheric pressure. Based on the experimental ρ and η data, the excess properties of the BTD (1) + EDA (2) mixtures, including excess molar volume ( V m E ) and viscosity deviation ∆ η , apparent molar volume ( V φ ,1 and V φ ,2 ), partial molar volume ( V 1 ¯ and V 2 ¯ ), and isobaric thermal expansion coefficient α ρ were systemically investigated. Meanwhile, the Redlich-Kister equation was used to fit with V m E and ∆ η , the optimal fitting coefficients were obtained, and the standard deviations σ between the experimental and calculated quantities were evaluated. Additionally, the intermolecular interaction of BTD with EDA was expressed as the N ⋅⋅⋅H hydrogen-bonding interaction with the form of ⋯ HOCH(CH 3 )CH 2 CH 2 O H ⋯ NH 2 CH 2 CH 2 N(H 2 )⋯ on the basis of UV–vis, FTIR, 1 H NMR, and Fluorescence spectral results and electrical conductivity of BTD (1) + EDA (2) mixtures. [ABSTRACT FROM AUTHOR]

• Densities and viscosities of EGHE + three secondary alkanolamines were measured. • The V E and Δ η values are negative at the investigated conditions for all three systems. • The sign and magnitude of excess properties was discussed from two opposing aspects. • Experimental data were well represented by the proposed Redlich-Kister correlations. Nonaqueous solvents containing secondary alkanolamines and 2-alkoxyethanols, have recently gained significant attention for energy-efficient CO 2 capture process. However, the information of physicochemical property, particularly involving 2-(hexyloxy)ethanol (EGHE), is very limited for mass transfer and process modeling development. In this work, densities and viscosities were measured for binary mixtures of EGHE with 2-(methylamino)ethanol, 2-(ethylamino)ethanol and 2-(butylamino)ethanol at temperatures of (293.15–353.15)K and atmospheric pressure in the entire concentration range. The excess/deviation properties were derived from the experimental data and fitted by the Redlich-Kister equation to estimate the binary interaction parameters. The variation of excess properties with solvent composition and temperature was also discussed in terms of intermolecular interactions. The calculated from the proposed correlations matched well with the experimental values, with AARDs within 0.01% and 1.60% for density and viscosity respectively. [ABSTRACT FROM AUTHOR]

• The densities and viscosities of choline chloride/urea DESs were reported. • The density and viscosity of mixtures of ethanol with choline chloride/urea DESs were investigated. • The derived properties of the mixtures including excess molar volume and viscosity deviation were calculated and analyzed. The densities and viscosities of choline chloride/urea deep eutectic solvents (DESs) at molar ratios of 1:1.5, 1:2, and 1:2.5 (abbreviated as [ChCl][Urea] 1.5 , [ChCl][Urea] 2 and [ChCl][Urea] 2.5) were measured in this work. In addition, the effects of ethanol on the density and viscosity of choline choloride/urea DESs were also investigated. The experimental density and viscosity data were obtained from 303.15 K to 323.15 K at atmospheric pressure. The measurements were carried out using digital vibrating U -tube densimeter and Ubbelohde capillary viscometer. The Jouyban-Acree model was used to correlate the experimental density and viscosity data. In addition, for comparison purpose, the viscosity model based on the preferential solution theory was also used for the viscosity correlation. The excess molar volumes and viscosity deviations of the studied mixtures were calculated from the experimental data, and the results were analyzed. The Redlich–Kister equation was used to correlate the excess molar volumes and viscosity deviations of the ethanol/[ChCl][Urea] x mixtures. [ABSTRACT FROM AUTHOR]

The density, refractive index, and kinematic viscosity were measured for extraction solvents for molybdenum: methyl ethyl ketone (MEK), methyl isopropyl ketone (MIPK), trihexyl tetradecyl phosphonium chloride ([P] [Cl]), trihexyl tetradecyl phosphonium dicyanamide ([P][DCA]) and trihexyl tetradecyl phosphonium bis (2,2,4- trimethyl pentyl) phosphinate ([P][TMPP]) at atmospheric pressure for a temperature range of 288.15-318.15 K. The experimental data were correlated using the Daubert and Danner equation, a linear equation and the Goletz and Tassion equation. In addition, the excess molar volumes (V) and the deviations in molar refractivity (ΔR) at 298.15 K were reported for the following binary systems: {MEK+[P][Cl]}, {MEK+[P][DCA]}, {MEK+[P][TMPP]}, {MIPK+[P][Cl]}, {MIPK+[P][DCA]} and {MIPK+[P][TMPP]}. The determined V and ΔR values were correlated with the Redlich-Kister equation. The binary density and refractive index data at 298.15 K were also predicted using several mixing rules, and these results were then compared with the experimental data. [ABSTRACT FROM AUTHOR]

The density ( ρ ) and viscosity ( η ) data were measured on the binary system of dipropylene glycol (DPG) + 1,2-ethanediamine (EDA) with the different mole fractions at (293.15, 298.15, 303.15, 308.15, 313.15, and 318.15) K under atmospheric pressure. On the basis of the experimental ρ and η data, the excess molar volumes ( V m E ) and dynamic viscosity deviations (Δ ν ) were calculated. Meanwhile, the Redlich-Kister type function was employed to calculate the coefficients and evaluate the standard deviation between the experimental and calculated data by using V m E and Δ ν values. After that, the intermolecular interactions between EDA and DPG was discussed according to FTIR and UV–vis spectral results. [ABSTRACT FROM AUTHOR]

Density ( ρ ) and viscosity ( η ) data for the binary system of polyethylene glycol 600 (PEG) + 1,2-ethanediamine (EDA) over the entire concentration range at a number of temperatures T = (298.15, 303.15, 308.15, 313.15, and 318.15) K as a function of composition were measured under atmospheric pressure. On the basis of experimental density and viscosity data, the excess properties of PEG (1) + EDA (2) mixtures, including excess molar volumes ( V m E ), viscosity deviations (∆ η ), excess free energies of activation (∆ G * E ), apparent molar volumes ( V ϕ ,1 and V ϕ ,2 ), partial molar volumes ( V 1 ̅ and V 2 ̅ ), and isobaric thermal expansion coefficient ( α p ), were calculated. Meanwhile, the values of V m E , ∆ η , and ∆ G * E were fitted with the Redlich–Kister equation to derive coefficients and to evaluate the standard deviations ( σ ) between the experimental and calculated values. Moreover, on the basis of FTIR and UV–vis spectral data of PEG (1) + EDA (2) mixtures with various concentrations, the intermolecular interaction of PEG with EDA was discussed. [ABSTRACT FROM AUTHOR]

Density ( ρ ) and viscosity ( η ) data for the binary system of polyethylene glycol 400 (PEG) + 1.2-ethanediamine (EDA) over the whole concentration range as a function of composition were measured at T = (293.15, 298.15, 303.15, 308.15, 313.15, and 318.15) K under atmospheric pressure. Based on experimental density and viscosity data, the excess properties of the PEG (1) + EDA (2) mixtures, including excess molar volume ( V m E ) and viscosity deviation (∆ η ), excess free energies of activation (∆ G * E ), apparent molar volume ( V φ ,1 and V φ ,2 ), and partial molar volumes ( V 1 ̅ and V 2 ̅ ), were calculated respectively. Meanwhile, the results of V m E , ∆ η and ∆ G * E were fitted by a Redlich–Kister equation to obtain coefficients and to evaluate the standard deviations ( σ ) between the experimental and calculated quantities. Additionally, based on FTIR and UV–Vis spectral results of PEG (1) + EDA (2) mixtures with various concentrations, intermolecular interaction of PEG with EDA was discussed. [ABSTRACT FROM AUTHOR]

We present an estimation of the kinematic viscosities and thermal conductivities for liquid mixtures using the analytical solutions of groups (ASOG) contribution method. Two procedures were examined to estimate these properties using the excess properties. First method is a use of the vapor-liquid equilibria as equilibrium property. Optimization of the Eyring constant k was also done from the experimental data of the kinematic viscosities or thermal conductivities. Second one is a determination of the interaction parameters in the excess Gibbs energy model, that is, activity coefficient model, from these experimental transport property data. Estimated results of these properties at low pressure by the two procedures, i.e., ASOG-VLE + k visco or k TC and ASOG-VISCO or ASOG-ThermConduct were given, and the estimation accuracies were discussed. Estimation of the kinematic viscosities by the ASOG-VISCO was extended to the binary systems containing carbon dioxide expanded liquid at high pressure. [ABSTRACT FROM AUTHOR]

Density and viscosity of the binary liquid system, tri-ethylene glycol (TEG) + dimethyl sulfoxide (DMSO), were studied over the whole composition range at T = (293.15, 298.15, 303.15, 308.15, 313.15 and 318.15) K under a pressure of 0.1 MPa. Based on these density and viscosity data, their excess molar volume ( V m E ), viscosity deviation (Δ η ), apparent molar volumes ( V φ ,1 and V φ ,2 ) and partial molar volumes ( V _ 1 and V _ 2 ) were determined, respectively. Their V m E and Δ η values were then fitted to a Redlich–Kister equation to obtain the coefficient and the standard deviation. Additionally, the intermolecular interaction, obtained from FTIR and UV–Vis, indicated that hydrogen bonding between hydroxyl hydrogen atom in TEG and oxygen atom in DMSO was formed. [ABSTRACT FROM AUTHOR]

Densities and viscosities of binary mixtures of 8-hydrogen-1,8-diazabicyclo[5,4,0]-undec-7-enium imidazolide ([HDBU]IM) and 8-butyl-1,8-diazabicyclo[5,4,0]-undec-7-enium imidazolide ([BDBU]IM) ionic liquids (ILs) with water were measured at temperatures from T = (293.15 to 313.15) K. Excess molar volumes V E and viscosity deviations Δ η of the mixtures were calculated to study the intermolecular interactions and structural factors between ILs and water. The results show that the V E values of the two mixtures are negative over the whole composition range, while the Δ η values have positive deviations, indicating that the hydrogen bonding interactions between IL and water are dominant in the mixtures. Moreover, the absolute values of V E (| V E |) of {[HDBU]IM (1) + H 2 O (2)} system are larger than those of {[BDBU]IM (1) + H 2 O (2)} system at the same condition, indicating that the hydrogen bonding interactions between [HDBU]IM and water are stronger than those between [BDBU]IM and water. Both | V E | and Δ η values of the mixtures decrease with the increasing temperature, resulting from the decreasing the hydrogen bonding interactions between IL and water. Other derived properties of the studied systems, such as the apparent molar volumes, partial molar volumes, excess partial molar volumes, Gibbs free energy of activation for viscous flow, and excess Gibbs free energy of activation for viscous flow were also calculated from the experimental values. [ABSTRACT FROM AUTHOR]

In this work, the experimental densities, viscosities, and speed of sound of binary mixtures of γ-butyrolactone (γ-GBL) + acetonitrile (ACN) and γ-GBL + dimethyl carbonate (DMC) have been measured at temperatures (293.15 to 333.15) K and γ-GBL + tetrahydrofuran (THF) at temperatures (293.15 to 323.15) K in the atmospheric pressure. Excess molar volumes (V E ), viscosity deviations (Δ η ), thermal expansion coefficients ( α ), Bulk Modulus ( β s ), and the excess Gibbs energy Δ G E * were calculated. V E and Δ η were fit with the Redlich–Kister equation and optimal fitting parameters are presented. It was found that values of V E and Δ η are negative deviations from ideal behaviors for the three binary mixtures. With the concentration of γ-GBL decreasing, these excess properties for the these mixtures shows more negative deviations from ideal solutions, until a minimum values of V E are reached at mole fraction of γ-GBL around 0.5–0.6. Meantime, the negative deviation behaviors can be also observed when the temperature increases. This behavior can be explained by the strong interaction (dipole–dipole interaction and the dispersion force) between different molecules. [ABSTRACT FROM AUTHOR]

Densities and viscosities of the pure ionic liquid 1,1,3,3-tetramethylguanidine imidazole ([TMG]IM) and its binary mixtures with methanol, ethanol, 1-propanol, and 1-butanol were measured at temperatures from T = (293.15 to 313.15) K. The thermal expansion coefficient, molecular volume, standard entropy, and lattice energy of [TMG]IM were obtained from the experimental density value. The temperature dependence of the viscosity of [TMG]IM was fitted to the fluidity equation. Excess molar volumes V E and viscosity deviations Δ η of the binary mixtures were calculated and fitted to the Redlich–Kister equation with satisfactory results. The result shows that the V E values of the binary mixtures are negative over the whole composition range, while Δ η values have an S-shape deviation. Temperature has little effect on the V E of the systems, but it has significant effect on the Δ η . Furthermore, the absolute values of V E for {[TMG]IM (1) + alcohol (2)} systems at the same temperature decrease with increasing carbon alkyl chain of the primary alcohol. Other derived properties, such as the apparent molar volumes, partial molar volumes, excess partial molar volumes, Gibbs free energy of activation for viscous flow, and excess Gibbs free energy of activation for viscous flow of the above-mentioned systems were also calculated. [ABSTRACT FROM AUTHOR]

The densities of the binary mixtures n -heptane + isomeric chlorobutane have been determined in a wide range of both temperatures and pressures ( T = 283.15–323.15 K, p = 0.1–65.0 MPa). From experimental densities different excess volumetric properties have been estimated. The results have been discussed taking into account both molecular interactions and structural effects operating in the mixing process. In addition, the densities of the mixtures have been satisfactorily predicted using the VTPR model. [ABSTRACT FROM AUTHOR]

Densities and viscosities were measured under atmospheric pressure over the entire concentration range for the binary system 1,2-ethanediamine (EDA) + 1,4-butanediol (BDO) at T = 293.15, 298.15, 303.15, 308.15, 313.15, and 318.15 K as a function of composition. Based on density and viscosity data, excess molar volumes ( V m E ) and dynamic viscosity deviations (∆ν) were calculated. V m E and ∆ν values were correlated by a Redlich–Kister type function to obtain the coefficients and to estimate the standard deviation between the experimental and calculated quantities. Based on FTIR and UV–vis spectral results, the intermolecular interaction between EDA and BDO was discussed. [ABSTRACT FROM AUTHOR]

Densities and viscosities of the binary system of ethylene glycol (EG) (1) + dimethyl sulfoxide (DMSO) (2) over the entire composition range were measured at T = (298.15, 303.15, 308.15, 313.15, 318.15, and 323.15) K and atmospheric pressure. Based on density and viscosity data, the excess molar volume, viscosity deviation, excess Gibbs free energy of activation for the viscous flow, and apparent molar volumes were calculated. These results were fitted to a Redlich–Kister equation to obtain the coefficients and to estimate the standard deviations between the experimental and calculated quantities. Meanwhile, from the kinematic viscosity data, the enthalpy of activation for viscous flow and entropy of activation for the viscous flow were also calculated. In addition, based on UV–vis and FTIR spectral results, the intermolecular interaction of EG with DMSO was discussed. [ABSTRACT FROM AUTHOR]

The solid–liquid equilibrium (SLE), excess molar volume and refractivity deviation values were reported for binary systems consisting of dimethyl carbonate (DMC), anisole and phenol, all three of which are reaction intermediates in the synthesis of polycarbonate (PC). The SLE plots for the binary systems {DMC + anisole}, {DMC + phenol}, {anisole + phenol} at atmospheric pressure displayed a single eutectic point and correlated well with the values calculated using the non-random two-liquid (NRTL) and universal quasi-chemical (UNIQUAC) equations. The excess molar volume ( V E ) and the deviation in the molar refractivity (Δ R ) were calculated using density and refractivity data measured at 323.15 K. The calculated V E and Δ R data deviated from ideal behavior in either a negative or a positive direction, depending on the particular binary system. The experimental data correlated well with the curves calculated using the Redlich–Kister equation. [ABSTRACT FROM AUTHOR]

The present paper reports a study of binary mixtures of benzene and acetic acid over the entire range of composition at temperatures of 288, 298, 308 and 318 K. The measured values of static dielectric constant, density, and refractive index of the binary mixtures are further used to evaluate the excess dielectric constant, excess molar volume, excess refractive index, molar and excess molar refraction at these temperatures. The values of excess dielectric constant and excess refractive index are positive whereas the excess molar volume is negative over the entire range of mole fractions of acetic acid. The results are discussed in light of the intermolecular interactions occurring between the benzene and acetic acid molecules. The excess parameters were fitted with the Redlich-Kister equation and the resulting estimated Redlich-Kister coefficients ( a) and standard deviations are reported. [ABSTRACT FROM AUTHOR]

The shear rate-, temperature- and composition-dependencies of the viscosity of binary mixtures of 1-butyl 3-methylimidazolium nitrate with ethanol {[bmim]NO 3 (x) + ethanol} have been studied in this work. The results showed that these mixtures are non-Newtonian over a wide range of shear rate ((14 to 56.0) s − 1 ) in the temperature range of 283.15 to 333.15 K and over all composition range. The activation parameters, namely, Δ H ⁎ (enthalpy of activation), Δ G ⁎ (free energy of activation), Δ S ⁎ (entropy of activation), and Δ C p ⁎ (change in heat capacity of activation) for their viscous flow were evaluated. The values of Δ H ⁎ and Δ S ⁎ nicely compensated each other. The temperature and composition dependencies of viscosities have been fitted using proper equations. Also, the law of corresponding states can be seen in the viscosity behavior of these mixtures based on two different equations. The excess molar properties were calculated from the experimental data and the Redlich–Kister polynomial equation was used to fit these data. An artificial neural network (ANN) method has been developed to model simultaneously the shear-, temperature- and composition-dependencies of the viscosities of these mixtures. [ABSTRACT FROM AUTHOR]

Density ( ρ ) and viscosity ( η ) data were determined over the whole concentration range for the binary system of 1,2-ethanediamine (EDA) + polyethylene glycol 300 (PEG) at T = (293.15, 298.15, 303.15, 308.15, 313.15, and 318.15) K as a function of composition under atmospheric pressure. From the experimental density and viscosity data, the excess molar volume and viscosity deviation were calculated, and the results were fitted to a Redlich–Kister equation to obtain the coefficients and estimate the standard deviations between the experimental and calculated quantities. Based on the viscosity data, excess Gibbs free energy of activation of viscous flow (Δ G * E ), enthalpy of activation for viscous flow (Δ H *), entropy of activation for the viscous flow (Δ S *), and Gibbs energies of activation for viscous flow (Δ G *) were also calculated. Based on FTIR and UV–vis spectral results, the intermolecular interaction of EDA with PEG was discussed. [ABSTRACT FROM AUTHOR]

Densities and viscosities of binary ionic liquids mixtures, 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ([eOHmim][BF4]) + 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]), 1-(2-hydroxyethyl)-3-methylimidazolium tetrafluoroborate ([eOHmim][BF4]) + N-butylpyridinium tetrafluoroborate ([bpy][BF4]) and 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim][BF4]) + N-butylpyridinium tetrafluoroborate ([bpy][BF4]) were measured over the entire mole fraction from T = (298.15 to 343.15) K. The excess molar volumes were calculated and correlated by Redlich-Kiser polynomial expansions. The viscosities for pure ionic liquids were analyzed by means of the Vogel-Tammann-Fulcher equation and ideal mixing rules were applied for the ILs mixtures. [ABSTRACT FROM AUTHOR]

This paper reports density and viscosity data at T = 298.15, 303.15, 308.15, 313.15, and 318.15 K and surface tension data at 298.15 K for the binary system 1,2-ethanediamine (EDA) + diethylene glycol (DEG) as a function of composition under atmospheric pressure. From the experimental density and viscosity data, the excess molar volume and viscosity deviation were calculated, and the results were fitted to a Redlich-Kister equation to obtain the coefficients and to estimate the standard deviations between the experimental and calculated quantities. Based on the kinematic viscosity data, enthalpy of activation for viscous flow, entropy of activation for the viscous flow, and Gibbs energies of activation of viscous flow were calculated. In addition, based on Fourier transform infrared spectra, UV-vis spectra, and electrical conductivity for the system EDA + DEG with various concentrations, intermolecular interaction of EDA with DEG was discussed [ABSTRACT FROM AUTHOR]

Highlights: [•] Alamine 336 is selective solvent in the extraction of molybdenum (Mo). [•] SLE data for the systems {Alamine 336+decane}, {Alamine 336+dodecane} and {Alamine 336+1-dodecanol}. [•] NRTL models were used for the description of the determined SLE data. [•] V E and ΔR the selectivities of the {Alamine 336+decane}, {Alamine 336+dodecane} and {Alamine 336+1-dodecanol} were measured. [Copyright &y& Elsevier]

Highlights: [•] Refractive indices of a pyridinium ionic liquid with an alkanol have been reported. [•] From measured data excess refractive indices have been obtained and correlated. [•] Excess refractive indices and excess volumes of the mixtures have been related. [•] Mixing rules have been used to predict the refractive indices of the mixtures. [Copyright &y& Elsevier]