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Thermochromic sensors employing cholesteric liquid crystal droplets offer customizable temperature and spectral responses through molecular adjustments of nematic mesogens. Embedded in a polymer matrix, these portable sensors enable direct, reversible temperature visualization on the skin, demonstrating potential for advanced sensing applications. [Display omitted] Rapid and accurate detection and visualization of temperature variations near the human body hold significant importance. This study presents thermochromic colloids capable of adjusting the detectable temperature range and reflection wavelength over a wide spectrum. The systematic investigation focuses on understanding the influence of the molecular structure of nematic mesogens on the morphological dynamics of cholesteric liquid crystal droplets and their associated thermochromic behaviors. A tunable colorimetric temperature range (i.e., from 10 to 40 °C) and high sensitivity (i.e., Δ λ Δ T −1 > 100nm °C−1) are realized through precise modulation of the alkyl chain lengths in cyanobiphenyls molecules, combined with a cholesteryl oleyl carbonate as a chiral dopant. We demonstrate the efficiency of a binary mixture of different mesogens, enabling customized structural colors with desired temperature responses. Finally, inspired by the ability of the octopus to camouflage through the elongation or contraction of its pigment cells, thermochromic droplets are embedded within a polymer matrix, resulting in a portable skin patch that offers quick, reversible, and direct temperature visualization of the human body. [ABSTRACT FROM AUTHOR]

[Display omitted] Supra-particle formation by evaporation of an aqueous aerosol droplet containing nano-colloidal particles is challenging to investigate but has significant applications. We hypothesise that the Peclet number, Pe , which compares the effectiveness of evaporation-induced advection to that of colloidal diffusion, is critical in determining supra-particle morphology and can be used to predict the dried morphology for droplet containing polydisperse nanoparticles. Sterically-stabilized diblock copolymer nanoparticles were prepared via polymerization-induced self-assembly (PISA). The systematic study was performed for evaporation rates by levitating an aqueous aerosol droplet and collecting dry supra-particles using electrodynamic balance (EDB) and falling droplet column (FDC), respectively for single-size particles and binary mixtures particles. The supra-particle morphology was characterized using scanning electron microscopy (SEM). We validate the hypothesis of a higher Pe increases the degree of buckling for both unimodal and bimodal nanoparticle size distributions by employing a higher evaporation rate (K) to increase Pe. However, if Pe is increased by lowering the mean diffusion coefficient (D avg) at a fixed K , the degree of buckling is reduced. For the binary mixture of nanoparticles of differing size, this can be achieved by reducing the concentration of smaller nanoparticles relative to that of larger nanoparticles. Hence consideration of Pe alone is insufficient to reliably predict the final supra-particle morphology. [ABSTRACT FROM AUTHOR]

[Display omitted] Methyl ester sulfonates (MES) show limited water solubility at lower temperatures (Krafft point). One way to increase their solubility below their Krafft points is to incorporate them in anionic surfactant micelles. The electrostatic interactions between the ionic surfactant molecules and charged micelles play an important role for the degree of MES solubility. The solubility and electrolytic conductivity for binary and ternary surfactant mixtures of MES with anionic sodium alpha olefin sulfonate (AOS) and sodium lauryl ether sulfate with two ethylene oxide groups (SLES-2EO) at 5 °C during long-term storage were measured. Phase diagrams were established; a general phase separation theoretical model for their explanation was developed and checked experimentally. The binary and ternary phase diagrams for studied surfactant mixtures include phase domains: mixed micelles; micelles + crystallites; crystallites, and molecular solution. The proposed general phase separation model for ionic surfactant mixtures is convenient for construction of such complex phase diagrams and provides information on the concentrations of all components of the complex solution and on the micellar electrostatic potential. The obtained maximal MES mole fraction of transparent micellar solutions could be of interest to increase the range of applicability of MES–surfactants. [ABSTRACT FROM AUTHOR]

One of the critical steps in the root crop harvesting process is screening tubers from soil. However, low screening efficiency seriously hinders the rapid development of the root crop industry. Clarifying the tuber-soil mixture separation behaviour and establishing the connection between vibration, airflow parameters, and separation index (SI) is critical to increasing screening efficiency. Corydalis Yanhusuo is employed as the research object, and the three-dimensional scale distribution and mechanical properties of tubers and soil particles are first counted. Then, a vibration and airflow coupling separation model of the tuber-soil mixture was constructed using the computational fluid dynamics and discrete element method (CFD-DEM) coupling method, and the physical parameters in the model were calibrated. A new method for calculating the SI is proposed. The relationship between vibration amplitude, frequency, airflow velocity, SI , and separation velocity was analysed. Simultaneously, the porosity change in the particle group during the separation process was investigated, and the relationship between vibration, frequency, and airflow velocity on the separation dynamics of binary mixtures was revealed by utilising data visualisation and frequency domain analysis. The platform for the vibration and airflow separation physical test was built. The separation behaviour of mixed particles in various parameters was discussed, as was the feasibility and accuracy of the numerical simulation results. The results of this study can provide theoretical support for the efficient screening of tuber-soil mixtures and further promote the rapid development of the root industry. [Display omitted] • The separation mechanism of binary mixtures with similar size distribution. • A new calculation method for the separation index. • Analysis of frequency domain of porosity change of particle group. • The quadratic interactive model of separation velocity. [ABSTRACT FROM AUTHOR]

A well-known diffuse interface model consists of the Navier-Stokes equations nonlinearly coupled with the convective Cahn-Hilliard equation. This system describes the evolution of an incompressible isothermal Newtonian mixture of binary fluids. In this article we investigate a variant of this model, which consists of the nonhomogeneous Kelvin-Voigt equations coupled with the Cahn-Hilliard equations. We prove the existence of global weak and strong solutions in a two and three dimensions. Furthermore, we prove some regularity results for the strong solutions and show their uniqueness in both two or three-dimensional bounded domains. Lastly, we also solve a problem of uniqueness of regular solutions that was left open by Giorgini and Temam (2020) [5]. [ABSTRACT FROM AUTHOR]

Hypothesis Nonaqueous foams are found in a variety of applications, many of which contain volatile components that need to be removed during processing. Sparging air bubbles into the liquid can be used to aid in their removal, but the resulting foam can be stabilized or destabilized by several different mechanisms, the relative importance of which are not yet fully understood. Investigating the dynamics of thin film drainage, four competing mechanisms can be observed, such as solvent evaporation, film viscosification, and thermal and solutocapillary Marangoni flows. Experiments Experimental studies with isolated bubbles and/or bulk foams are needed to strengthen the fundamental knowledge of these systems. This paper presents interferometric measurements of the dynamic evolution of a film formed by a bubble rising to an air-liquid interface to shed light on this situation. Two different solvents with different degrees of volatility were investigated to reveal both qualitative and quantitative details on thin film drainage mechanisms in polymer-volatile mixtures. Findings Using interferometry, we found evidence that solvent evaporation and film viscosification both strongly influence the stability of interface. These findings were corroborated by comparison with bulk foam measurements, revealing a strong correlation between these two systems. [ABSTRACT FROM AUTHOR]

[Display omitted] The effect of particle size on sulfur resistance of nickel phosphide (Ni 2 P) catalysts for the hydrodesulfurization (HDS) reaction was probed using Ni 2 P nanoparticles encapsulated in mesoporous silica (Ni 2 P@mSiO 2). The Ni 2 P@mSiO 2 nanocatalysts, having well-defined particle sizes of 5.9, 11.2 and 17.1 nm, were investigated for the HDS of dibenzothiophene (DBT) in the presence of a co-feed of H 2 S. The Ni 2 P@mSiO 2 nanocatalysts were characterized by a range of techniques including CO chemisorption to determine active site densities, and sulfur quantification to probe sulfur incorporation during HDS measurements or treatment in a mixture of H 2 S/H 2. The extent of sulfur deactivation depended strongly on Ni 2 P particle size, with Ni 2 P@mSiO 2 -5.9 nm showing little change in DBT HDS activity or turnover frequency (TOF) before and after co-feeding H 2 S, while Ni 2 P@mSiO 2 -17.1 nm exhibited a significant decrease in HDS activity and TOF after co-feeding H 2 S. Further, the Ni 2 P@mSiO 2 -5.9 nm nanocatalyst exhibited stable HDS activity when brought on-stream, while Ni 2 P@mSiO 2 -17.1 nm experienced a 40% loss of HDS activity during the initial 3 h on-stream and then stable activity thereafter. The composition of the phosphosulfide phase (Ni x P y S z layer) formed on the surface of the Ni 2 P particles under HDS reaction conditions also depended strongly on particle size, with the Ni 2 P@mSiO 2 -5.9 nm (S/Ni surf = 0.16) having a substantially lower S content than the Ni 2 P@mSiO 2 -17.1 nm (S/Ni surf = 0.53). These results indicate that the surface restructuring of Ni 2 P associated with formation of a phosphosulfide layer is particle size dependent and leads to active sites with significantly different intrinsic activities for the HDS reaction. [ABSTRACT FROM AUTHOR]

[Display omitted] • Mixed micelles of cationic and non-ionic surfactants were studied in aqueous solution. • Mixed surfactant-modified zeolite (MSMZ) and SMZ were prepared and characterized. • The adsorption capacity of MSMZ for removal of DFS was higher than that of SMZ. • The experimental adsorption data of DFS by SMZ was correlated by Sips model. • The removal of DFS on MSMZ was strongly dependent on positive surface charge on zeolite. In this paper, the surfactant-modified clinoptilolite zeolite (with two methods) were used to remove diclofenac sodium (DFS) as a widely used drug in an aqueous solution. Clinoptilolite was modified by using pure cationic surfactant (cetyltrimethylammonium chloride, CTAC) and the mixed surfactants of CTAC + Triton-X100 (TX100). In the new approach, the synergistic effects between CTAC and TX100 were determined by surface tension measurements in different mole fractions and the optimum ratio (y 1 ≈ 0.8) was identified with the maximum synergism. According to the mole fraction of this composition, the surface of clinoptilolite was modified by mixed surfactants (MSMZ) for the adsorption of DFS and then results compared with modified zeolite with pure cationic surfactant (SMZ). The raw and modified (SMZ and MSMZ) zeolites were characterized by Fourier transform infrared spectroscopy (FT–IR), BET analysis, the scanning electron microscopy (SEM) images, Zeta potential and X-ray. The experimental data of adsorption in equilibrium conditions were also analyzed using different adsorption isotherm models (Langmuir, Freundlich, Hill, Khan, Sips, Redlich-Peterson and Toth) in non-linear forms, and finally, the best model consistent with experimental data is determined (SMZ:Sips and MSMZ:Toth). According to the best isotherm model, the amount of absorption capacity in MSMZ was obtained almost 57% higher than SMZ. In addition, the kinetic adsorption data were correlated with eight various models in order to selection the best model for these systems. The kinetic adsorption data were well described by fractal-like pseudo-first-order (FL-PFO) and IKL models for SMZ and MSMZ adsorbents, respectively. Eight error functions were used to estimate the best fitted isotherm and kinetic models. [ABSTRACT FROM AUTHOR]

[Display omitted] • The reaction rate or product selectivity for C 6 H 10 transformation varies with solvent applied. • C 6 H 10 epoxidation follows an Eley-Rideal mechanism, while C 6 H 10 O hydration follows a Langmuir-Hinshelwood mechanism. • The modulation of the C 6 H 10 concentration around Ti- by solvent affects epoxidation rate. • The difference in epoxidation rates is more kinetic control than being thermodynamically influenced. Alkene epoxidation is a very important reaction process for the selective generation of chiral products, usually performed in some solvent(s) with different polarity, solubility and proton properties. These physical properties are entangled and do not explain very well whether they are mainly against population or stability of the reaction intermediates during catalysis. Here, we investigate how different solvents with known polarity properties (CH 3 CN, (CH 3) 2 CO, CH 3 OH, etc.) affect the C 6 H 10 transformation over Ti-Beta catalysts. Combining kinetic measurements, thermodynamic investigations and isotope experiments, the solvent was found not to change the reaction path or mechanism, with C 6 H 10 epoxidation most likely following the Eley-Rideal mechanism and C 6 H 10 O hydration following a Langmuir-Hinshelwood mechanism, and both nucleophile and carbonium were found to be involved in the transition state (c.a. SN 2 process) of hydration. However, in the epoxidation reaction of C 6 H 10 with CH 3 CN and (CH 3) 2 CO as solvents, the reaction order of [C 6 H 10 ] is subtly different and the epoxidation rate increases with increasing volumetric fraction of CH 3 CN in the binary mixture, which indicates that the solvent affects the concentration of dissolved C 6 H 10 surrounding the active sites and leads to the corresponding differences in activity and product selectivity. Nevertheless, the measured apparent reaction barrier (energy difference between transition state and MASIs) spans the elementary step of solvent modification, thus allowing for the observation of negligible solvent thermodynamic modification. Collectively, these findings provide clear evidence of solvent effects on alkene epoxidation and can be easily extended to some other reactions in solvents. [ABSTRACT FROM AUTHOR]

The Cahn-Hilliard equation describes phase separation in a binary mixture, typically modeled with a phase variable that represents the concentration of one phase or the concentration difference between the two phases. Though the system is energetically driven toward solutions within the physically meaningful range of the phase variable, numerical methods often struggle to maintain these bounds, leading to physically invalid quantities and numerical difficulties. In this work, we introduce a novel splitting and discretization for the Cahn-Hilliard equation, coupled with the Navier-Stokes equations, which inherently preserves the bounds of the phase variable. This approach transforms the fourth-order Cahn-Hilliard equation into a second-order Helmholtz equation and a second-order nonlinear equation with implicit energy barriers, which is reformulated and solved with a safeguarded optimization-based solution method. Our scheme ensures the phase variable remains in the valid range, robustly handles large density ratios, conserves mass and momentum, maintains consistency between these quantities, and achieves second-order accuracy. We demonstrate the method's effectiveness through a variety of studies of two-dimensional, two-phase fluid mixtures. • We develop a novel discretization for the Cahn-Hilliard Navier-Stokes equations. • The scheme is second order accurate. • The scheme preserves the physical bounds of the phase variable by construction. • The barrier-based discretization leads to a convex optimization problem that can be solved robustly. • The Navier-Stokes discretization is mass-momentum consistent and handles large density ratios. [ABSTRACT FROM AUTHOR]

• New data of H E for mixtures containing Ethanol, Methanol, 2-(2-Methoxyethoxy)ethanol, 2-(2-Ethoxyethoxy)ethanol, and 2-Methoxyethanol are reported. • The modified Redlich-Kister equation, NRTL and UNIQUAC models were used to correlate the experimental H E data of the studied mixtures. • Mixtures of alkoxyethanols and ethanol exhibited endothermic behavior, whereas mixtures of alkoxyethanols and methanol exhibited exothermic behavior. • The intermolecular effects involved in these binary systems have been discussed. The pressing need to find alternative fuels for environmental reasons has spurred the development of biofuels derived from biomass. These renewable energy sources reduce reliance on petroleum and lower greenhouse gas emissions. Ethanol and methanol are key biofuels that act as oxygenated additives, improving combustion efficiency and reducing air pollution. Ethanol, with its high oxygen content, boosts engine performance and cuts emissions, while methanol offers a cost-effective and versatile option. Research on alkoxyethanols-gasoline blends has shown substantial decreases in toxic pollutants, highlighting the importance of thermodynamic insights for advancing cleaner energy solutions. This study presents experimental data on excess molar enthalpies of fluid mixtures, encompassing ethanol and methanol combined with various alkoxyethanols, measured at two temperatures: 298.15 K and 313.15 K. Excess molar enthalpies were determined using a quasi-isothermal flow calorimeter at p = 0.1 MPa. Furthermore, the measured data were analyzed using a Redlich-Kister equation for fitting and correlated using Non-Random Two-Liquid (NRTL) and Universal Quasi-Chemical (UNIQUAC) models. The molecular interactions and thermodynamic behavior of the various studied binary mixtures at different temperatures are thoroughly examined and discussed. [ABSTRACT FROM AUTHOR]

• The thermophysical properties of 2-Methoxyethanol/2-Ethoxyethanol + 1,2-Propanediol were studied. • Investigated composition-temperature-dependent molecular interactions in the binary mixtures. • Applied the Redlich-Kister correlation to model the excess volume and the deviation in viscosity. • Performed theoretical derivation of mixture properties using correlative approaches. In the present investigation density, speed of sound, and viscosity have been reported for binary liquid mixtures of 1,2-propanediol (1,2-PD) with 2-methoxyethanol (2-ME) and 2-ethoxyethanol (2-EE) over the entire composition range at T= (298.15–323.15) K. From the experimental data, excess molar volume, (V m E), excess isentropic compressibility, (κ s E), excess molar isentropic compressibility, (κ s , m E), excess speed of sound, (u E), excess isobaric thermal expansion, α p E , and deviation in viscosity (Δ η) of liquid mixtures have been calculated. The excess partial molar volume, V ¯ m , 1 E , V ¯ m , 2 E , excess partial molar isentropic compressibility, K ¯ s , m , 1 E K ¯ s , m , 2 E over the whole composition range together with partial molar volume, V ¯ m , 1 0 , V ¯ m , 2 0 , partial molar isentropic compressibility K ¯ s , m , 1 0 , K ¯ s , m , 2 0 , excess partial molar volume, V ¯ m , 1 0 E , V ¯ m , 2 0 E and excess partial molar isentropic compressibility, K ¯ s , m , 1 0 E , K ¯ s , m , 2 0 E at infinite dilution have also been calculated. All excess properties have been correlated using the Redlich-Kister smoothing polynomial equation. The V m E results are analysed in the light of Prigogine-Flory-Patterson theory. Analysis of each of the three contributions viz. interactional, free volume, and P* to V m E has shown that interactional contribution and free volume effect are negative for all the mixtures, and P* contribution is positive for the mixtures of 2-ME. The variations of these parameters with changes in composition and temperature have been discussed in terms of intermolecular interactions prevailing in these mixtures. Further, the viscosities of these binary mixtures were correlated theoretically by using various empirical and semi-empirical models and the results were compared with the experimental findings. [ABSTRACT FROM AUTHOR]

• The V E and Δ η values of all mixtures exhibit negative deviation over the mole fraction range. • Based on VFT equation and Arrhenius empirical equation, there is a high correlation σ and T. • [MOEMPYrr]+ acts as HBD and [TFSI]- (or solvent) acts as HBA using the COSMO-RS model. • The interaction between anions and cations in the ILs + PC is stronger than in the ILs + GBL. • In terms of Einstein's equation, D GBL or D PC > D + [MOEMPYrr] > D - [TFSI]. A deeper comprehension of the mechanism behind various internal interactions and their influence on system properties encourages the utilization of ionic liquid mixture systems. In this work, the excess molar volume, viscosity deviation, change of electrical conductivity, and ionicity of both binary mixtures for N-methyl-N-methoxyethylpyrrolidinium bis(trifluoromethanesulfonyl)imide ([MOEMPYrr][TFSI]) ether-functionalized ionic liquids (ILs) with 1,4-butyrolactone (GBL) or propylene carbonate (PC) were systematically studied. The specific interactions between ILs and solvent molecules were investigated by using the COSMO-RS model in terms of DFT calculation. The results indicate that [MOEMPYrr]+ tends to act as a hydrogen bond donor and [TFSI]- tends to act as a hydrogen bond acceptor, and GBL (or PC) has a strong hydrogen bond acceptance ability. Furthermore, based on the radial distribution functions (RDFs) from molecular dynamics (MD) simulations, the H 1 atom in [MOEMPYrr]+, the O 2 atom in [TFSI]-, the O 3 atom in GBL, and the O 4 atom in PC are selected as reference sites to study the interaction between cations and anions (or solvent molecules). It is found that the interaction between anions and cations in the [MOEMPYrr][TFSI] + PC system is stronger than that in the [MOEMPYrr][TFSI] + GBL system, and the interaction between cations and GBL is stronger than that between cations and PC. This result further explains why the excess molar volumes (V E) of [MOMPYrr][TFSI] + GBL binary mixtures are greater than that of [MOMPYrr][TFSI] + PC binary mixtures from a microscopic perspective. [ABSTRACT FROM AUTHOR]

• Densities and refractive indices were measured for the binary mixtures of But. isomers (1) + DEP (2) at (293.15–313.15) K temperature range. • Excess molar volumes and excess refractive indices for these binary mixtures were calculated. • Apparent, partial, and excess partial molar volumes were evaluated. • Refractive indices were predicted using several mixing rules. • Results were discussed in terms of molecular interactions. The density (ρ), and refractive index (n D) of three binary mixtures containing 1-butanol, 2-butanol, and 2-methyl-2-propanol with diethyl phthalate (DEP) were studied over the whole range of composition at different temperatures from 293.15 to 313.15 K, and atmospheric pressure (0.082 MPa). Experimental data were used to calculate the excess molar volumes (V m E) and deviation in refractive indices (Δ n D). The experimental density values were used to calculate the partial molar volumes ( V ¯ m , i ), apparent molar volumes (V ∅ , i ), partial molar volumes at infinite dilution ( V ¯ m , i ∞), and excess partial molar volumes ( V ¯ m , i E). A Redlich-Kister type polynomial equation is used with the method of least-squares to set up a correlation between excess molar volumes and deviation in refractive indices, leading to the estimation of binary coefficients and standard errors. Theoretical refractive index values were calculated using seven relations, namely Arago–Biot (A–B), Dale–Gladstone (D–G), Lorentz–Lorenz (L–L), Heller (H), Weiner (W), Newton (Nw) and Eyring and John (E-J). This study examines how composition and temperature affect the variation of parameters in these mixtures, considering molecular interactions. Experimental data and results provide useful information for further thermodynamic studies of alcohol-ester mixtures. [ABSTRACT FROM AUTHOR]

• Density and viscosity of two trifluoromethanesulfonate-based ionic liquids: 1-ethylimidazolium trifluoromethanesulfonate, [Eim][Triflate], and 1-ethylpyridinium trifluoromethanesulfonate, [Epy][Triflate], as well as binary mixtures of these ILs with water or ethanol were measured within the temperature range of 293.15–333.15 K. In the open literature, only the data for the binary system water – [Epy][Triflate] are available. Measured data were evaluated using the Redlich-Kister and Jouyban-Acree correlations, respectively. • Experimental vapor–liquid equilibrium data for binary systems of ethanol or water with both ionic liquids were measured at atmospheric pressure within a broad region of IL concentrations, IL mole fraction ranging between 0 and 0.7 or even 0.8. To the best of our knowledge, the experimental data were presented for the first time. The NRTL model was use in the correlation of experimental data. Density and viscosity of two trifluoromethanesulfonate-based ionic liquids: 1-ethylimidazolium trifluoromethanesulfonate, [Eim][Triflate], and 1-ethylpyridinium trifluoromethanesulfonate, [Epy][Triflate], as well as binary mixtures of these ILs with water or ethanol were measured within the temperature range of 293.15–333.15 K. Measured density data were used to calculate the excess molar volume and the component partial molar volume and the obtained values were fitted using the Redlich-Kister expansion. Variation of viscosity with the binary mixture composition and temperature was modeled using the Jouyban-Acree model. Data on the vapor−liquid equilibrium (VLE) of the respective ionic liquids with water and ethanol were estimated at atmospheric pressure over a wide range of IL concentrations (up to 70 mol% of IL). For the boiling point temperature measurement of four respective binaries, an adapted Siwoloboff procedure was used. To describe VLE of these binary mixtures, ideal vapor phase and real liquid phase behavior were assumed; experimental isobaric t – x data were correlated with the NRTL model. [ABSTRACT FROM AUTHOR]

[Display omitted] • Reported u and η of N,N-dimethylformamide (DMF) + alkyl acrylate mixtures. • Study reported estimation of excess properties of DMF+alkyl acrylate mixtures. • Study elucidates interactions of DMF and alkyl acrylate in these mixtures. • The interactions DMF and alkyl acrylate follow order: MA>EA> n -BA. • The scaled particle theory (SPT) is used to predict speed of sound values. The excess isentropic compressibility, excess speed of sound, excess molar isentropic compressibility and deviation in viscosity were evaluated from the experimental values of speeds of sound and viscosities of N,N-dimethylformamide + methyl acrylate/ethyl acrylate/ n -butyl acrylate binary mixtures over the entire composition range at temperatures (288.15–318.15) K and pressure (101 kPa). Further, the partial molar isentropic compressibility; excess partial molar isentropic compressibility of the components over the entire composition range and also at infinite dilution have been calculated. These evaluated parameters have been interpreted in relations to prevailing interactions in these mixtures. These interactions were found dependent on the size of alkyl group in acrylate molecules and the amide-acrylate interactions decline with increase in size of the alkyl group. Moreover, the speeds of sound for the mixtures were calculated by scaled particle theory and the results compared well with the experimental results. Also, the viscosities of these mixtures were correlated by means of various empirical relations and the results were found in good agreement with the experimental results. [ABSTRACT FROM AUTHOR]

[Display omitted] • The study reports ρ and u of polyethylene glycol 200 + methyl/ethyl methacrylate mixtures. • Provides estimation of excess properties of PEG 200 + methyl/ethyl methacrylate mixtures. • Study correlates physicochemical properties with interactions in these mixtures. • The scaled particle theory (SPT) is used to predict speed of sound values. • The FT-IR spectra of equimolar mixture is recorded and correlated with interactions. The excess and partial molar properties of binary liquid mixtures can be used to unveil the prevailing intermolecular interactions. The densities, ρ and speeds of sound, u for pure polyethylene glycol 200 (PEG 200), methyl methacrylate, ethyl methacrylate and their binaries (PEG 200 + methyl/ethyl methacrylate) have been measured over the entire composition range in the temperature range (293.15 to 323.15) K at 5 K intervals and at pressure, p = 100 kPa. The excess molar volume, excess isentropic compressibility, excess speed of sound, excess intermolecular free length, excess molar isentropic compressibility and excess acoustic impedance were evaluated using the experimental data. The partial and excess partial molar volumes/compressibilities of the components at each mole fraction and at infinite dilution have also been calculated. The results have been interpreted on the basis of prevailing intermolecular interactions as well as structural effects between like and unlike molecules. The results indicate the effect of the size of alkyl group on excess functions and interactions in these systems and the PEG-methacrylate interactions follow the order: methyl methacrylate > ethyl methacrylate. Scaled particle theory has also been used for the theoretical estimation of the speeds of sound and compared with experimental values. FT-IR spectra of pure PEG 200, methyl methacrylate, ethyl methacrylate and equimolar PEG 200 + methyl methacrylate/ethyl methacrylate mixtures were also recorded and analysed for better understanding of prevailing intermolecular interaction. [ABSTRACT FROM AUTHOR]

The prevalence of nanoplastics (NPs) and sulfonamide antibiotics (SAs) in the aquatic environment is potentially harmful to the environment, and these pollutants are often present in the environment in the form of composite ones, thereby introducing more complex effects and hazards to the environment. Therefore, it is crucial to investigate the toxic effects of the individual target pollutants and their mixtures. In this study, we used Scenedesmus obliquus as the test organisms, two types of NPs: polystyrene (PS) and amine-modified (NH 2 -PS), four SAs: sulfapyridine (SPY), sulfamethazine (SMR), sulfamethoxypyridazine (SMP), and sulfamethoxazole (SMZ), and their eight binary mixtures were examined. We investigated the toxic interactions of the eight binary mixtures on Scenedesmus obliquus and assessed the impact of the 14 mixtures on the physiological and biochemical properties of Scenedesmus obliquus. Interaction of pollutant assemblages with algal cells observed using field emission scanning electron microscopy. The results showed that the six target pollutants and their eight binary mixtures were significantly toxic to Scenedesmus obliquus within 96 h. The toxicity of individual pollutants was in the order of SPY (EC 50 : 12.38 mg/L) > SMZ (EC 50 : 20.43 mg/L) > SMP (EC 50 : 32.96 mg/L) > SMR (EC 50 : 41.06 mg/L) > PS (EC 50 : 284.13 mg/L) > NH 2 -PS (EC 50 : 754.13 mg/L); the toxicity of binary mixtures composed of NPs and SAs (89.13 ∼ 1905.46 mg/L) was generally less toxic than that of unitary SAs (12.38 ∼ 41.06 mg/L). Suggesting that the presence of NPs reduced the toxicity of the SAs. The different types of NPs influenced the interaction and toxicity of the mixtures. The effects-based model deviation ratio method was used to quantitatively assess the interactions of the mixture systems in the 10∼90 % experimental effect range. The majority of the PS-containing mixtures exhibited antagonistic interactions. The interactions of NH 2 -PS-containing mixtures on Scenedesmus obliquus showed different interactions depending on the concentration ratios of the mixture components. The exposure of two NPs and four SAs and their binary mixtures differently promoted or inhibited superoxide dismutase and catalase activities in algal cells to different degrees and resulted in elevated levels of malondialdehyde content, suggesting that oxidative stress led to significant inhibition of chlorophyll content, total protein content, and growth of algal cells. The SEM image can be a more intuitive means of observing the interaction of nanoplastics with algal cells. These findings offer valuable data for the ecological risk assessment of NPs and SAs. [Display omitted] • Toxicity studies of nanoplastics and sulfonamide antibiotics on Scenedesmus obliquus. • Binary mixture of pollutants had antagonistic and synergistic effects. • Binary mixture of pollutants inhibits the growth of algal cells well. • Scanning electron microscopy reveals interactions between nanoplastics and algae. [ABSTRACT FROM AUTHOR]

Per- and poly-fluoroalkyl substances (PFAS) are highly persistent chemicals commonly found in surface protectants, and class B aqueous film forming foams (AFFF), and many other consumer and industrial products. As a result of their widespread application and use, PFAS are now found in environmental media across the globe. Research has revealed that exposure to environmentally relevant concentrations of PFAS can reduce reproductive success and have immunological effects in laboratory animals, including birds. Further, PFAS can be passed down from parents to offspring, posing a threat to sensitive life stages. PFAS may enter the brain by disrupting tight junctions or binding to transporters, but our overall understanding of the interactions and accumulation of PFAS in the avian brain is limited due to the lack of data. We obtained archived samples of male-female pairs of Northern bobwhite quail (NBWQ) from chronic toxicity studies where adults were exposed to either individual PFAS or binary mixtures through drinking water for at least 60 days. PFAS were detected in the brains of exposed adult quail, while brains from control birds had only occasional detections of PFAS; mostly perfluorooctane sulfonic acid (PFOS), likely because our source of birds was pen-raised animals and many PFAS are ubiquitous. Despite similar average daily intake (ADI) for both males and females, we observed higher concentrations of most PFAS in the brains of male birds compared to female birds, with the exception of perfluoroheptanoic acid (PFHpA). For the binary mixture exposures, PFOS appeared to reduce brain concentrations of perfluorohexane sulfonic acid (PFHxS) in both males and females to levels that could not be explained by ADI differences alone. Collectively, study results demonstrated that brain accumulation of short-chain PFAS in birds was not significantly affected by sex, however, long-chain PFAS exposure resulted in avian brain accumulation with generally higher PFAS concentrations in males compared to females. The findings of this study offer insights into the accumulation of PFAS in the avian brain and suggest that there may be sex differences in potential risks associated with exposure to these pervasive chemicals. [Display omitted] • Long-chain PFAS accumulate more in brain tissues of male birds (quail) compared to female birds. • Accumulation of short-chain PFAS in the brain tissue of quail was not influenced by sex. • Maternal transfer of long-chain PFAS from exposed adult quail to the brain of developing offspring occurs during reproduction. [ABSTRACT FROM AUTHOR]

In this paper we construct a novel discretization of the Cahn-Hilliard equation coupled with the Navier-Stokes equations. The Cahn-Hilliard equation models the separation of a binary mixture. We construct a very simple time integration scheme for simulating the Cahn-Hilliard equation, which is based on splitting the fourth-order equation into two second-order Helmholtz equations. We combine the Cahn-Hilliard equation with the Navier-Stokes equations to simulate phase separation in a two-phase fluid flow in two dimensions. The scheme conserves mass and momentum and exhibits consistency between mass and momentum, allowing it to be used with large density ratios. We introduce a novel discretization of the surface tension force from the phase-field variable that has finite support around the transition region. The model has a parameter that allows it to transition from a smoothed continuum surface force to a fully sharp interface formulation. We show that our method achieves second-order accuracy, and we compare our method to previous work in a variety of experiments. • We develop a novel second order accurate discretization for the Cahn-Hilliard Navier-Stokes equations. • The Navier-Stokes discretization is mass-momentum consistent. • Both discretizations are significantly simpler than existing alternatives with comparable numerical properties. • We present a novel and more accurate surface tension discretization for the Cahn-Hilliard Navier-Stokes equations. • The proposed surface tension model has adjustable-width finite support and can be run as a sharp formulation. [ABSTRACT FROM AUTHOR]

Left: In the binary system glycyrrhizic acid monoammonium salt (AGA)/H 2 O, 'infinite' rigid helical fibrils are coexisting with shorter fibrils. Middle: Ethanol (EtOH, red) as a co-solvent facilitates the formation of end caps, thus reducing the length of short fibrils; the 'infinite' ones stay initially intact as they do not have unstable ends. Right: As EtOH reaches a threshold concentration (∼30 wt%), only end caps remain, meaning that all fibrils have been transformed into micelle-like aggregates pervaded by a EtOH-enriched solvent. [Display omitted] The monoammonium salt of glycyrrhizic acid (AGA) is known to form fibrillar hydrogels and few studies regarding self-assembly of AGA have been published. Yet, the understanding of the fibrillar microstructures and the gelation remains vague. Thus, we attempt to achieve a deeper understanding of the microstructures and the gelation process of binary solutions of AGA in water. Further, we examine the effect of ethanol on the microstructures to pave the way for potential enhancement of drug loading in AGA hydrogels. A partial room temperature phase map of the ternary system AGA/ethanol/water was recorded. Small-angle X-ray and neutron scattering experiments were performed over wide ranges of compositions in both binary AGA/water and ternary AGA/ethanol/water mixtures to get access to the micro-structuring. Binary aqueous solutions of AGA form birefringent gels consisting of a network of long helical fibrils. 'Infinitely' long negatively charged fibrils are in equilibrium with shorter fibrils (≈25 nm), both of which have a diameter of about 3 nm and are made of around 30 stacks of AGA per helical period (≈9 nm), with each stack consisting of two AGA molecules. The interaxial distance (order of magnitude ≈20 nm) varies with an almost two-dimensional swelling law. Addition of ethanol reduces electrostatic repulsion and favors the formation of fibrillar end caps, reducing the average length of shorter fibrils, as well as the formation of small, swollen aggregates. While the gel network built by the long fibrils is resilient to a significant amount of ethanol, all fibrils are finally dissolved into small aggregates above a certain threshold concentration of ethanol (≈30 wt%). [ABSTRACT FROM AUTHOR]

[Display omitted] Marangoni spreading driven by localized surfactant solution deposition previously has been studied only for single surfactant systems. For binary surfactant mixtures, interactions that generate surface tension synergism, a thermodynamic effect, may also synergistically enhance Marangoni spreading dynamics, introducing the concept of Marangoni synergism. Spreading dynamics and possible Marangoni synergism should depend not only on thermodynamic properties but also kinetic properties of the binary system. Tracer experiments that capture post-deposition surfactant front motion were performed in parallel with computational modeling, using binary surfactant pairs with varying interaction strengths. The model coupled the Navier-Stokes and advective diffusion equations with a Frumkin-type binary adsorption model. We confirm the existence of Marangoni synergism. Stronger binary surfactant attraction favors synergism in both surface tension reduction and Marangoni spreading. Binary composition ranges over which surface tension synergism occurs differ from those for Marangoni synergism, indicating that the origins of the two synergistic effects are not identical. Analysis of model spreading velocities show that the thermodynamic spreading parameter is the controlling factor at early times for both single and binary surfactant systems, while the intrinsic adsorption and desorption kinetics influence spreading velocities and thus the occurrence of Marangoni synergism at later times. [ABSTRACT FROM AUTHOR]

[Display omitted] • The solubility of β -HMX in three sulfolane based binary solvent mixtures have been reported. • The molar dissolution thermodynamic properties of Gibbs free energy, enthalpy and entropy were calculated and analyzed. • Solid-liquid surface tension and surface entropy factor of β -HMX were estimated using the experimental solubility data. The experimental solubility of β -octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) in binary solvent mixtures of sulfolane + (H 2 O, acetonitrile, and ethanol) was measured at temperature ranging from (298.15 K to 343.15 K) by dynamic method under atmospheric pressure. The results showed that the solubility of β -HMX monotonously increases with increasing mole fraction of sulfolane at a given temperature in the studied binary solvent mixtures. Furthermore, the experimental solubility data in binary solvents were fitted using the modified Apelblat equation, the GCM model and the Jouyban-Acree model successfully. Hirshfeld surface analysis and molecular electrostatic potential (ESP) were employed to visualize close contacts and charge distribution of β -HMX and solvents. In addition, the molar dissolution thermodynamic properties of the solution of different binary solvent mixtures, such as Gibbs free energy, enthalpy and entropy, were calculated and analyzed based on the van't Hoff equation and the experimental solubility data. Solid-liquid surface tension and surface entropy factor of β -HMX were estimated by the experimental solubility data. The solubility of β -HMX in sulfolane based binary solvent systems will provide essential support for the further study of crystallization and spheroidization of β -HMX in industry. [ABSTRACT FROM AUTHOR]

[Display omitted] • A binary mixture of ammonium-based ionic liquids. • Ammonium-based ionic liquids under high pressure. • Binary mixtures with caprolactam acetate and its molecular interactions influence. • PVT behavior of protic ionic liquid. • Excess property demonstrating the behavior among the ion interactions under high pressure. In this work, the effects of cations and anions on the density of pure compounds N-methyl-2-hydroxyethylammonium acetate [m-2-HEAA], 2-hydroxyethylammonium acetate [2-HEAA], and 2-hydroxyethylammonium pentanoate [HEAPe], as well as their mixtures following mixtures [m-2-HEAA] + [2-HEAA] and [HEAPe] + [2-HEAA], were determined. These measurements were conducted at pressures up to 100.0 MPa and within a temperature range of T = (298.15 to 373.15) K using the vibrating tube method. A Tammann-Tait equation correlated the experimental density data with an average absolute relative deviation (% A A R D) less than 0.065 %. From this Tammann-Tait equation, the following derivative properties were determined for pure compounds: isothermal compressibility (κ T), isobaric expansivity (α p), thermal pressure coefficient (γ V) , and internal pressure (P i). For the binary mixtures, excess molar volume (VE) was determined. These data showed that N-methyl-2-hydroxyethylammonium anion impacts more than pentanoate cation when compared to their effect on the ILs packing efficiency. Furthermore, density data was estimated using Paduszynski and Domanska, Lazzus, and Evangelista et al. group contributing methods. [ABSTRACT FROM AUTHOR]

[Display omitted] • Solubility data of five polyphenols in five green organic solvents were determined. • Solubility data of trans -piceid and quercetin in three mixtures containing methanol and acetate solvents were determined. • The solubility of antioxidants is influenced by polarity, increasing solubility as log P value of the compound increases. • The solubilites of quercetin in methanol + acetates binary systems present a maximum at 0.5 mol fraction. • The solubilites of trans -piceid in methanol + acetates binary systems present a maximum at 0.1 mol fraction of acetates. In recent years, there has been great interest in exploring the recovery of polyphenols from natural resources. However, in studies that address this topic, results present high recovery yield but low selectivity in the extraction of these compounds. This work seeks to improve the selectivity of these processes by an appropriate selection of the solvents. To achieve this objective, the solubility of five polyphenolic compounds: trans -piceid, myricetin, quercetin, kaempferol and trans -resveratrol in pure methanol, ethyl acetate, n -propyl acetate, and butyl acetate were determined at T = 298.15 K at 0.1 MPa, as well as the solubility of quercetin and trans -piceid in three binary solvent mixtures (methanol + ethyl acetate, methanol + n -propyl acetate and methanol + butyl acetate). Experimental results for ternary systems were correlated with the combined nearly ideal binary solvent/Redlich-Kister (CNIBS/R-K) equation. [ABSTRACT FROM AUTHOR]

Titan's surface has a hydrological system based on methane. The interaction of solar ultraviolet radiation and energetic particles from Saturn's magnetosphere results in the creation of nitrogen-containing molecules. When these molecules dissolve in Titan's seas, it could represent the initial step of complex organic chemistry processes. Of particular interest is acetonitrile, which has been detected in the atmosphere as a gas and potentially as ice on the surface. Despite the importance of knowing the phase equilibrium behavior of methane and acetonitrile for understanding the physical and chemical phenomena occurring on Titan's surface, no data exist for this binary mixture. This article presents the first experimental study of phase equilibrium behavior for the binary mixture methane + acetonitrile. In particular, vapor-liquid equilibrium (T, P, x, y) data have been obtained from 223.26 to 293.09 K and for pressures up to about 10 MPa. These data have allowed regressing the parameters of an equation of state for the representation of the fluid phases of the mixture. The equation of state has been used in the classical approach framework for predicting the phase equilibrium behavior of the methane + acetonitrile mixture at temperature and pressure conditions of interest for studying the phenomena occurring on Titan's surface. Some results have also been obtained with molecular dynamics techniques for the vapor-liquid equilibrium of the binary mixture, at low pressure. [ABSTRACT FROM AUTHOR]

• ρ, u, and η of [BMIM][CF 3 SO 3 ]/[EMIM][CF 3 SO 3 ] + MeOH were experimentally measured at T = 298.15–323.15 K and p = 0.1 MPa. • VE , K s , m E and Δ η have been evaluated using experimentally measured data of ρ , u , and η. • Experimentally measured values of ρ, u, and η of pure components are good agreement with existing literature values. • The VE , K s , m E and Δ η are discussed in terms of specific and non-specific interactions. • Interactions between ion-pair of ILs and ILs-solvent have been performed using DFT studies. Investigations on the thermophysical properties of ionic liquids (ILs) with molecular organic solvent has been performed at temperature ranges 298.15–323.15 K with an interval of 5 K and 0.1 MPa pressure as functions of mole fraction (x 1) of ILs. We have experimentally measured densities (ρ), speeds of sound (u) and viscosities (η) of pure components and the binary mixtures of 1-butyl-/1-ethyl-3-methylimidazolium trifluoromethanesulfonate {[BMIM]/[EMIM][CF 3 SO 3 ]} with methanol (MeOH) at studied temperatures and pressure using a high-precision vibrating tube densitometer and an automated falling ball microviscometer. Using ρ , u and η , the excess molar volumes (V E), excess molar isentropic compressibilities (K s , m E) and deviations in viscosities (Δη) have been evaluated and correlated it with extended form of Redlich-Kister polynomial equation. We have found the experimental and correlated values of excess/deviations parameters are good agreements to each other. Interactions between the atoms/molecules of ILs-solvents are well discussed in terms of possible forces of attractions occurred. Density Functional Theory (DFT) were performed to show the possible interactions between the ion-pair of ILs ( B M I M + / E M I M + and CF 3 SO 3 -) and ILs-solvent components, revealing interactions at the D3-B3LYP/6–311++G(d,p) level of theory. Moreover, various molecular properties were obtained are well discussed at the same level of theory. Thereafter, the natural bond orbital (NBO) analyses were performed to see all the interactions between donor–acceptor atoms at molecular level. [ABSTRACT FROM AUTHOR]

[Display omitted] • Study of molecular interactions of Nicotinamide in aqueous medium. • Volumetric and thermoacoustic studies of mixtures at various temperatures. • Relative association values indicating a structure-forming interaction in the mixtures. • Positive Gibbs free energy and enthalpy suggest a non-spontaneous, endothermic reaction within the mixtures. • Nicotinamide interacts with water molecules, fostering a highly cohesive environment via H-bonding. The density (ρ) and ultrasonic velocity (u) measurements were performed for nicotinamide (Vitamin B 3) in a water medium with various concentrations (0.101 to 1.111) mol·kg−1 in the temperatures range of 298.15 K to 323.15 K. Experimental data is used to estimate volumetric parameters such as apparent molar volume (V Φ), partial molar volume (V ∅ o), thermoacoustic parameters like adiabatic compressibility (β), acoustic impedance (Z), intermolecular free length (L f), ultrasonic attenuation (α f 2), relative association (RA), relaxation time (τ), and internal pressure (π i). In addition, thermodynamic parameters such as Gibbs free energy (Δ G), Enthalpy (Δ H), and Entropy (Δ S) are also evaluated to interpret the molecular interaction in the medium. The single-point energy calculation is also determined in a gaseous state and an aqueous medium using the IEFPCM model at HF, DFT/B3LYP, and MP2 methods using 6-311G ++(d,p) basis set to estimate the strength of the hydrogen bond. The results are interpreted in terms of structure-making or structure-breaking effects of drug molecules in the mixtures. [ABSTRACT FROM AUTHOR]

Jimo Huangjiu (Chinese yellow rice wine), with its unique burnt odor, serves as a representative of Huangjiu in northern China. To decode the key odorants in Jimo Huangjiu, the volatiles were captured by headspace solid-phase microextraction and solid-phase extraction combined with solvent-assisted flavor evaporation, and analyzed by gas chromatography–mass spectrometry/olfactometry. and comprehensive two-dimensional gas chromatography–time of flight mass spectrometry. A total of 72 odor-active regions were screened, of which 69 odorants were positively identified and quantitated. Thirty-three of them had odor activity value (OAV) ≥ 1. Aroma recombination experiment verified the quantitate results, and 10 odorants were confirmed as key odorants by odor omission text. To further investigate the perceptual interaction of important odorants, 45 binary odor mixtures consisting of 10 selected odorants with OAV ≥ 1 were prepared, resulting that synergies were more likely to occur in odor combinations with similar chemical structures and odor descriptions. [Display omitted] • The odor profile of Jimo Huangjiu was studied by molecular sensory science. • Sixty-nine odor-active compounds of Jimo Huangjiu were positively identified. • Ten compounds were confirmed as the key odorants of Jimo Huangjiu. • The interaction of characteristic notes was studied in Jimo Huangjiu by σ-τ plot. [ABSTRACT FROM AUTHOR]

[Display omitted] • First reported gaseous pvTx data of CO 2 + R1243zf mixture from 333.15 to 393.15 K. • Measured the CO 2 + R1234ze(E) gaseous pvTx property under high pressure up to 7 MPa. • Established the truncated virial EoS for CO 2 + R1234ze(E) and CO 2 + R1243zf. The gaseous pvTx data of the binary mixtures for carbon dioxide (CO 2) + trans -1,3,3,3-tetrafluoropropene (R1234ze(E)) and CO 2 + 3,3,3-trifluoropropene (R1243zf) were experimentally measured at 5 isotherms from 333.15 K to 393.15 K. The experiment used a Burnett apparatus and the highest experimental pressure exceeded 7 MPa. The standard uncertainties of temperature, pressure and mole fraction are 10 mK, 0.2 ∼ 0.8 kPa and 0.0015, respectively. The relative uncertainty of the molar density is 0.05 %. Based on the experimental data of pure components and mixtures, three-term truncated virial equations of state (EoS) were established. The relative root mean square deviations (RMSD) of virial EoS in calculating density of CO 2 + R1234ze(E) and CO 2 + R1243zf mixtures are 0.15 % and 0.05 %, respectively. The virial EoS obtained in this work were compared with REFPROP 10.0 and the literature data, and the virial coefficients were calculated and compared between the experimental value and the calculated value from virial EoS. [ABSTRACT FROM AUTHOR]

[Display omitted] • The study reports densities of binary mixtures of [BMIM][PF 6 ] + alkyl acetate. • The study reports speeds of sound of [BMIM][PF 6 ] + alkyl acetate binary mixtures. • Provides estimation of excess properties of [Bmim][PF 6 ] + alkyl acetate mixtures. • Study correlates physicochemical properties with interactions in these mixtures. • The FT-IR spectra of equimolar mixture is recorded and correlated with interactions. The purpose of this work is to investigate the influence of concentration, temperature and molecular size on intermolecular interactions in the mixtures of 1-butyl-3-methylimidazolium hexafluorophosphate [BMIM][PF 6 ] with some alkyl acetates. The densities, ρ and speeds of sound, u for the 1-butyl-3-methylimidazolium hexafluorophosphate + ethyl acetate/propyl acetate/ n -butyl acetate binary mixtures were measured over the entire range of composition at the temperatures, T = (293.15 – 323.15) K at 5 K intervals and at pressure, p = 101 kPa. The experimental data was used to calculate various excess properties, viz. , excess molar volume, excess isentropic compressibility, excess intermolecular free length, excess speed of sound, excess molar isentropic compressibility and excess acoustic impedance. The partial molar volumes and compressibilities; and excess partial molar volumes and compressibilities of the components over the entire composition range and at infinite dilution have also been calculated. The results clearly indicated the presence of intermolecular interactions in these mixtures and the magnitude of [BMIM][PF 6 ]-alkyl acetate interactions followed the order: ethyl acetate > propyl acetate > n -butyl acetate, i.e. , the interactions were found dependent on the size of alkyl group of acetates. The speeds of sound were estimated theoretically using scaled particle theory and compared with experimental findings. FT-IR spectra of pure [BMIM][PF 6 ], ethyl acetate, propyl acetate. n -butyl acetate and their equimolar mixtures were also recorded and analysed for better understanding of prevailing intermolecular interaction. [ABSTRACT FROM AUTHOR]

Ecotoxicological research has increasingly focused on the interactive effects of chemical mixtures on biological models, emphasising additive, synergistic, or antagonistic interactions. However, these combination studies often test chemicals at unique concentrations (e.g. x:y), limiting our understanding of the effects across the full spectrum of possible combinations. Evidence from human toxicology suggests that interactive effects among chemicals can vary significantly with total concentration (e.g. x:y vs. 2x:2y), their ratio (e.g. x:2y vs. 2x:y), and the magnitude of the tested effect (e.g. LC 10 vs. LC 50). Our non-exhaustive review of studies on binary mixtures in bee ecotoxicology reveals that such parameters are frequently neglected. Of the 60 studies we examined, only two utilised multiple total concentrations and ratios, thus exploring a broad range of possible combinations. In contrast, 26 studies tested only a single concentration of each chemical, resulting in incomplete interpretations of the potential interactive effects. Other studies utilised various concentrations and/or ratios but failed to capture a broad spectrum of possible combinations. We also discuss potential discrepancies in interactive effects based on different metrics and exposure designs. We advocate for future ecotoxicological studies to investigate a wider spectrum of chemical combinations, including various concentrations and ratios, and to address different levels of effects. [ABSTRACT FROM AUTHOR]

• The thermophysical properties of binary mixtures of 2-methyl-2-butanol with alkoxy ethanols viz., 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol. • The values of V m E are negative for all binary mixtures representing the attractive interactions. • Theoretical analysis of V m E has also been done using the Prigogine–Flory–Patterson theory. • All the excess and deviation parameters have been correlated to the composition with the help of Redlich-Kister type polynomial. • FT-IR spectra of these liquid mixtures have also been studied. In this article, the intermolecular interactions in the binary liquid mixtures of 2-methyl-2-butanol with alkoxyethanols viz., 2-ethoxyethanol, 2-propoxyethanol and 2-butoxyethanol have been interpreted using thermophysical properties. Density (ρ), viscosity (η) and speed of sound (u) of pure components and their binary mixtures have been measured over the entire range of composition at 298.15, 303.15 and 308.15 K and at pressure p = 0.10 MPa. The experimental data were used to calculate the thermophysical properties such as excess molar volume (V m E), excess molar isentropic compressibility (K s , m E), excess speed of sound ( u E), deviation in viscosity (Δ η) and excess Gibbs free energy of activation for viscous flow (Δ G ∗ E ). The changes in these properties with composition and temperature of the liquid mixtures were discussed in terms of intermolecular interactions. Also, the effect of increase in alkyl chain length of alkoxyethanol molecule on these properties has been studied. The excess functions and their deviations have been correlated using Redlich-Kister type polynomial equation. The experimentally measured values of viscosities have been correlated with various semi-empirical relations such as Grunberg-Nissan, Tamura-Kurata, Hind et al., Katti-Chaudhri, McAllister's two parameter model, Heric-Brewer and McAllister's three parameter model. Apart from this, Prigogine-Flory-Patterson (PFP) theory has been used for the estimation of V m E values for studied binary mixtures. FT-IR spectra of these liquid mixtures have also been studied. [ABSTRACT FROM AUTHOR]

[Display omitted] • Variation in thermophysical properties of binary mixtures [BMIM]Br (1) + EG/DEG/TrEG/TeEG (2) were reported. • The calculation of derived excess functions such as V m E , V ¯ m , V ¯ m E , Δ η , Δ G ∗ E , Δ ϕ n D and Δ x R M was done. • The correlation of experimental V m E as compared to calculated data was explored by PFP and graph theories. • FT-IR and Raman studies were performed to specify the interactions. The thermophysical characteristics of pure liquids and their mixes are substantial in applied as well as theoretical research. This paper presents the measured data on: density (ρ), viscosity (η) , refractive index (n D) and consequent calculated parameters: {excess molar volume (V m E), partial molar volume ( V ¯ m), excess partial molar volume ( V ¯ m E), deviation in viscosity (Δ η) , excess Gibbs energy of activation of viscous flow (Δ G ∗ E ), deviation in refractive index (Δ ϕ n D) and deviation in molar refraction (Δ x R M)} of binaries containing 1-butyl-3-methylimidazolium bromide ([BMIM]Br) with glycol oligomers (mono/di/tri/tetra-ethylene glycol) at T/K = 298.15–313.15 and pressure p /MPa = 0.1. The Redlich-Kister equation efficiently estimates the standard deviation between the experimental and calculated excess properties. The interactions between constituents were considered while interpreting the obtained results. The values of V m E , V ¯ m E , Δ η , Δ ϕ n D and Δ x R M exhibited negative trends throughout the range, whereas Δ G ∗ E values displayed a sigmoidal shift (negative to positive) with increasing [BMIM]Br concentration. The V m E data has been explored in terms of Prigogine-Flory-Patterson (PFP) and Graph theories to elucidate the deviations in thermophysical properties of the mixtures caused by variations in strength and magnitude of interactions. Additionally, the η values were correlated using ten models and their correlation ability has been perceived via the average standard deviation percentage. The pure and binary mixtures were also spectroscopically examined using Fourier Transform InfraRed (FT-IR) and Raman spectroscopy to elucidate the structural variations. [ABSTRACT FROM AUTHOR]

• Experimental densities and viscosities for binary mixtures were measured. • CPA model was applied to calculate the density of components in mixtures. • Governing molecular interactions were discussed. This paper presents an investigation into the thermodynamic and transport characteristics of 2-methyl-1-butanol and C 7 -C 10 normal alcohols (1-heptanol to 1-decanol), with a specific focus on their binary mixtures. The experimental analysis encompassed a temperature range of 293.15 to 323.15 K, during which the density and viscosity of these mixtures were measured. The study reveals that all the binary mixtures exhibit positive excess molar volumes, which progressively increase as the alkyl chain length in the alcohols increases. Simultaneously, the observed viscosity deviations consistently display negative values across all the mixtures, becoming more pronounced as the alkyl chain lengthens. This behavior of the mixtures highlights the weak molecular interactions between 2-methyl-1-butanol and alcohols. In conjunction with the experimental work, this study utilizes the Cubic-Plus-Association (CPA) model to establish a correlation between the densities of these binary mixtures. The model demonstrates a satisfactory agreement with the experimental densities, signifying its efficacy in correlating the density behavior of such mixtures. The largest discrepancy between the experimental data and the correlated values from the CPA model was observed in the mixture of 2-methyl-1-butanol with 1-heptanol, amounting to a mere 0.29 %. This minor deviation underscores the correlation of the CPA model in reproducing experimental results. [ABSTRACT FROM AUTHOR]

• 2-Anilino-6-(dibutylamino)-3-methylfluoran solubility in four binary solvents were determined. • The miscibility of 2-Anilino-6-(dibutylamino)-3-methylfluoran in solvents was revealed by HSPs and MD simulation. • Experimental solubility was discussed and correlated by five models. • The thermodynamic properties of 2-Anilino-6-(dibutylamino)-3-methylfluoran were evaluated by van't Hoff equation. The laser monitoring method was used to assess the solubility of 2-Anilino-6-(dibutylamino)-3-methylfluoran (ODB-2) in four binary solvent systems (methyl acetate, ethyl acetate, n-propyl acetate, n-butyl acetate + acetonitrile) at temperatures ranging from 283.15 K to 323.15 K. The results indicated that the solubility of ODB-2 increased with the increasing temperature and molar fraction of the ester solvent. Five models, including the Apelblat model, λh model, CNIBS/R-K model, Ma model, and Sun model, were applied to fit the experimental ODB-2 solubility data. Among these models, the Apelblat model and CNIBS/R-K model performed significantly better than the other models. Moreover, it was found that the Hansen solubility parameter played a significant role in explaining the dissolving behavior of ODB-2 in the four binary solvents. The intermolecular interactions between solute and solvent, as well as between solvent molecules themselves, were studied using the radial distribution function obtained through molecular dynamics simulations. The findings suggested that the dissolving behavior of ODB-2 was closely related to the intermolecular forces among solute–solvent and solvent–solvent. The thermodynamic properties of the dissolution process, including enthalpy and entropy changes, were calculated using the modified van't Hoff equation. These results demonstrated that the dissolution of ODB-2 was an endothermic process driven by entropy. [ABSTRACT FROM AUTHOR]

• Solubility of dicyandiamide in three kinds of binary solvent mixtures were determined and correlated. • Thermodynamic properties of mixing were calculated based on the NRTL equation. • Polarity of liquids were discussed. The reason for the high solubility of dicyandiamide in N,N-dimethylformamide was discussed. Dicyandiamide (DCD) is an important chemical raw material. The solid–liquid equilibrium solubility of DCD in three kinds of binary solvent mixtures (N,N-dimethylformamide (DMF) + ethanol, DMF + acetonitrile, DMF + acetone) at T = (283.15–323.15) K was determined by gravimetric method. The thermodynamic parameters of DCD dissolution in solvents were studied. The solubility of DCD in the three groups of binary mixed solvents increases with the increase of temperature. In three binary mixed solvents, the solubility of DCD increases monotonically with the increase of DMF composition. The modified Apelblat model, van't Hoff model, λh model, the nonrandom two-liquid (NRTL) model and the Apelblat-Jouyban-Acree model were used to correlate the solubility data. The results show that the modified Apelblat model have the best correlation with the solubility of DCD. The calculation of thermodynamic parameters during the dissolution process indicates that dissolution is exothermic and driven by both enthalpy and entropy. This work can provide reference for improving the crystallization process of DCD, as well as for improving the chemical production process using DCD as raw material. [ABSTRACT FROM AUTHOR]

The study on the influence of Natural Organic Matter (NOM) over the individual and combined effects of different nanomaterials on marine species is pertinent. The current study explores the role of Extracellular Polymeric Substances (EPS) in influencing the individual and combined toxic effects of polystyrene nanoplastics (PSNPs) viz. aminated (NH 2 -PSNPs), carboxylated (COOH-PSNPs), and plain PSNPs and TiO 2 NPs in the marine crustacean, Artemia salina. A. salina was interacted with pristine PSNPs, pristine TiO 2 NPs, EPS incubated PSNPs, EPS incubated TiO 2 NPs, binary mixture of PSNPs and TiO 2 NPs, and EPS adsorbed binary mixture of PSNPs and TiO 2 NPs for 48 h. The present study proves that, when compared to the pristine toxicity of PSNPs and TiO 2 NPs, the coexposure of TiO 2 NPs with PSNPs resulted in increased toxicity. The adsorption of algal EPS on the NMs (both in their pristine and combined forms) significantly increased the toxic nature of the NMs against A. salina. It was observed that with an increase in the hydrodynamic diameter of the particles, the mortality, oxidative stress, and ingestion of the NMs by A. salina increased. The uptake of Ti by A. salina from 8 mg/L TiO 2 NPs, EPS adsorbed 8 mg/L TiO 2 NPs, 8 mg/L TiO 2 NPs + NH 2 -PSNPs and the EPS adsorbed mixture of 8 mg/L TiO 2 NPs, 8 mg/L TiO 2 NPs + NH 2 -PSNPs was observed to be 0.043, 0.047, 0.186, and 0.307 mg/g of A. salina. The adsorption of algal EPS on the NMs (both in their pristine and combined forms) significantly increased the toxic nature of the NMs against A. salina. The major outcomes from the current study highlight the role of EPS in exacerbating the toxicity of NMs in marine crustaceans. [Display omitted] • EPS adsorption on nanomaterials increased the mortality in Artemia salina. • EPS adsorption over NMs showed both antagonistic and synergistic effects in A. salina. • Adsorption of EPS on the NMs was time and concentration (NMs) dependent. • EPS adsorption on NMs elevated oxidative damage and lipid peroxidation in A. salina. • EPS adsorption on NMs increased the Ti uptake in A. salina. [ABSTRACT FROM AUTHOR]

[Display omitted] Although wetting agents have been developed to limit tear film dewetting over contact lenses, systematic analyses correlating wetting agent properties to mechanisms of the tear film destabilization are not readily available. Clarifying destabilization characteristics across key physio-chemical variables will provide a rational basis for identifying optimal wetting agents. We employ an in-house, in vitro platform to comprehensively evaluate drainage and dewetting dynamics of five wetting agents across seventeen different formulations and two model tear film solutions. We consider the film thickness evolution, film thickness at breakup, dewetted front propagation, and develop correlations to contact angle to compare the samples. Zwitterionic wetting agents effectively stabilize the tear film by reducing the film thickness at the onset of dewetting, and delaying the propagation of dewetted regions across the lens. Furthermore, tuning wetting agent surface concentrations and utilizing binary mixtures of wetting agents can enhance wetting characteristics. Finally, despite disparities in wetting agent molecular properties, the time to dewet 50 % of the lens scales linearly with the product of the receding contact angle and contact angle hysteresis. Hence, we fundamentally establish the importance of minimizing the absolute contact angle and contact angle hysteresis for effective wetting performance. [ABSTRACT FROM AUTHOR]

[Display omitted] • Pure liquids and their mixtures are used accessing a wide range of surface tensions. • Effect of surface structure vanishes above certain spacing independently of the liquid studied. • Coupling liquid surface tension and solid fraction reveals a unified wetting regime map. • This work expands on earlier works considering single structure of single fluid configurations. • Wetting and non-wetting regimes are supported by relevant equations. Liquid surface tension as well as solid structure play a paramount role on the intimate wetting and non-wetting regimes and interactions between liquids droplets and solid substrates. We hypothesise that the coupling of these two variables, independently addressed in the past, eventually offer a wider range of understanding to the surface science and interfacial communities. In this work, intrinsically hydrophobic micro-pillared surfaces varying in the spacing between structures, and pure ethanol, pure water and their binary mixtures (as well as acetone–water and ethylene glycol–water mixtures) are utilised, accessing a wide range of substrate solid fractions and liquid surface tensions experimentally . Wettability measurements are carried out at different azimuthal directions to exemplify the wetting/non-wetting behaviour as well as the droplet asymmetry function of both liquid composition and structure spacing. Our findings reveal that high water concentration droplets, i.e., high surface tension fluids, sit in the Cassie-Baxter regime while partial non-wetting Wenzel or mixed-mode regimes with enhanced droplet asymmetry ensuing for medium and high ethanol concentrations, i.e., low surface tension fluids, below certain micropillar spacing. Beyond micropillar spacing s ≥ 40 µm, the impact of the surface structure on the droplet shape is negligible, and droplets adopt a similar contact angle and circular shape as on a flat smooth hydrophobic surface. Wetting and non-wetting regimes are then supported by classical wetting theories and equations. A wetting regime map for a wide range of surface tension fluids and/or their mixtures on a wide domain of solid fractions is then proposed. [ABSTRACT FROM AUTHOR]

[Display omitted] The colloidal epitaxy utilizing a patterned substrate is used to fabricate colloidal crystals of the same structure and lattice spacing with the substrate, which is an effective technique for creating desired nanoscale architectures. However, this technique has been mainly limited to a single-component system. The colloidal epitaxy is versatile if multicomponent colloidal crystals can be produced, which is inspired by our previous study regarding binary colloidal crystals (b-CCs) fabricated at the edge of single-component crystals. We have examined various particle size combinations of binary colloidal mixture and substrates for heteroepitaxial growth of b-CCs. Colloidal crystallization was achieved through depletion attraction induced by added polymers. We demonstrated heteroepitaxial growth of b-CCs on the foreign colloidal crystals as the substrate. Under depletion attraction, deviation from equilibrium interparticle distance because of lattice mismatch between the substrate and epitaxial layers induces strain energy among the particles, yielding the b-CCs to attain minimum strain energy. Various types of b-CCs are created by adjusting the particle size ratio and polymer concentration. The heteroepitaxial growth technique enables the fabrication of complex multicomponent colloidal crystals that greatly facilitate versatile applications of the colloidal crystals. [ABSTRACT FROM AUTHOR]

[Display omitted] • Competitive adsorption dominates solvent effects in non-polar compound hydrogenation. • Hydrogenation of C C bonds follows the order of decreasing solvent-metal interactions. • Depending on solvent, rate-limiting step could shift from 1st to 2nd hydrogenation. • In non-ideal solvent mixtures, activity drops more than predicted for ideal systems. • Positive deviations from ideal behavior enhance coverages of reactants/solvents. • Water increases C O hydrogenation via H + transfer assisted by H-bonded water network. Solvent effects on adsorption equilibrium and reaction kinetics are evaluated for hydrogenation reactions catalyzed by Pd/alumina in a series of different solvents. Three reactants – cyclohexene, benzene and benzaldehyde – and three solvents – n-heptane (HEP), methylcyclohexane (MCHA), decalin (DL) – have been investigated. Kinetic analysis of hydrogenation of cyclohexene reveals that hydrogen adsorbs on different sites from those where cyclohexene and the solvents adsorb; however, the presence of hydrogen on these separate sites affects the heats of adsorption of the hydrocarbons. When the solvent is a weakly interacting linear alkane (HEP), the rate determining step of the reaction is the first hydrogenation of adsorbed cyclohexene. This conclusion is supported by DFT calculations that show a higher enthalpy barrier for the first hydrogenation than for the second, while statistical thermodynamics analysis validates the physical significance of the entropy of adsorption parameters derived from the kinetic fitting of experimental data. By contrast, with solvents such as MCHA and DL, which interact more strongly with the metal surface and compete for active sites with the reactant and the surface intermediate, the rate limiting step seems to shift to the second hydrogenation step. One of the main conclusions of the study is that the effects observed with non-polar solvents are mostly due to competitive adsorption of the solvent, which causes a decrease in surface coverage of reactants and surface intermediates. Indeed, under identical conditions, the hydrogenation rates of C C bonds in cyclohexene (or the aromatic ring in benzene) follow the order HEP > MCHA > DL, which is consistent with the strongest solvent/metal interaction for DL and the weakest for HEP. Further, binary solvent mixtures of DL-HEP exhibit non-idealities that are clearly evident in the fitting of hydrogenation rates. It is proposed that the higher activity coefficient of liquid DL in the liquid mixture enhances its surface coverage, competing more effectively with the reactant, which causes a decrease in catalytic activity larger than that predicted assuming an ideal mixture of solvents. Likewise, large drops in benzene hydrogenation rates are observed in water-organic co-solvent mixtures due to the competitive adsorption of water on the Pd surface. Water adsorption is further enhanced by the non-ideality of the water-organic mixture. By contrast, in the hydrogenation of the C O bond of benzaldehyde, the presence of water provides a favorable alternative reaction path with lower activation barrier, resulting in higher hydrogenation activity when the reactant is a carbonyl-containing molecule, such as benzaldehyde. In this system, the H-bonded water network assists shuttling a proton from the Pd surface to the hydrophilic O atom in C O, assisted by surface charge separation. Since this H transfer pathway cannot take place with C C bonds or aromatic rings, only site inhibition occurs for these reactions. [ABSTRACT FROM AUTHOR]

• Densities and excess volumes for 2-methoxyethanol + ethylenediamine binary system. • Viscosities and viscosity deviation for 2-methoxyethanol + ethylenediamine binary system. • Form of HBs as –OH⋯NH 2 – in 2-methoxyethanol + ethylenediamine binary system. • 0.6554 mol CO 2 absorbed in binary system at 150 mL/min flow rate and room temperature. To examine the fundamental physicochemical properties as well as intermolecular interactions for the 2-methoxyethanol (EGME) (1) + ethylenediamine (EDA) (2) binary system, this work systemically measured the density (ρ) and viscosity (η) values of the binary system with various mole ratios at P = 100.5 kPa and T = (298.15–318.15) K with the growth gap of 5 K. The as-measured values of the pure substances were compared with literature data. Multiple semi-empirical formulas were used to fit ρ and η values, and the absolute average deviations (AAD%) were calculated. After that, the excess molar volume (V m E), partial molar volume ( V ¯ ), apparent molar volume (V φ), viscosity deviation (Δ Î·), excess activation of Gibbs free energy (Δ G ∗ E ), and several thermodynamic properties of the binary system were systemically analyzed. According to analysis results, it has been proven that the interaction exists between EGME and EDA molecules. And then, excess properties were fitted to the Redlich-Kister equation using multi-parametric nonlinear regression analyses, and standard deviations (σ) were calculated. In addition, based on various characterization methods including Raman, ultraviolet (UV), and nuclear magnetic resonance hydrogen (1H NMR) spectral analyses and density functional theory (DFT) calculation results, it is demonstrated that there is intermolecular hydrogen bonds in EGME (1) + EDA (2) binary system as the form of –OH⋯NH 2 –, which was consistent with the existence forms of intermolecular hydrogen bonds in different alcohol-amine systems from references. Finally, CO 2 absorption capacity by pure EDA, pure EGME, and the EGME (1) + EDA (2) binary system were severally determined. [ABSTRACT FROM AUTHOR]

[Display omitted] • New HDESs were formulated using 2-n-octyl-4-isothiazolin-3-one and 1-decanol at various mole fractions. • Density and viscosity of the studied HDESs were measured as a function of temperature. • Excess/deviation properties were well correlated by the Redlich-Kister polynomial equation. • V m E , Δ η and Δ G *E of the HDESs were calculated from the experimental data. • Quantum chemical calculations and spectroscopic techniques were used to characterize the intermolecular hydrogen bonding. Hydrophobic deep eutectic solvents (HDESs) are considered as green solvents and have been developed rapidly in recent years, which are widely used in diverse applications. In this study, we introduce a binary system composed of 2-n-octyl-4-isothiazolin-3-one (OIT) as a novel hydrogen bond acceptor (HBA) and 1-decanol as a hydrogen bond donor (HBD) under atmospheric pressure. The fundamental physicochemical properties, including density and dynamic viscosity, of the binary systems with various mole ratios were measured at temperatures of 293.15 K, 303.15 K, 313.15 K, 323.15 K, and 333.15 K. The excess molar volume (V m E), viscosity deviation (Δ η) and excess Gibbs free energy ( Δ G ∗ E ) for activation of viscous flow were calculated and fitted according to the Redlich-Kister type polynomial equation. Furthermore, the spectral analysis (FTIR, UV–vis and 1H NMR) confirmed the presence of intermolecular hydrogen bonding in the binary systems. In addition, quantum chemical calculations revealed that there may be multiple modes of hydrogen bond formation between OIT molecule and 1-decanol molecule. However, selecting the most energetically favorable point, the most prominent hydrogen bond was found to be between the amide O atom of OIT and the hydroxyl H atom of 1-decanol. [ABSTRACT FROM AUTHOR]

• The VLE data of R152a + R1216 were measured at the temperature of 283.15 ∼ 313.15 K. • Experimental data were correlated with PR-vdW, PR-HV-NRTL, and PR-WS-NRTL models. • The azeotropic phenomenon can be observed in the measured temperature range. Compared to pure refrigerants, mixed refrigerants can effectively fulfill the demands of high efficiency, safety, and environmental preservation. An efficient mixture can be created by combining environmentally safe and non-combustible refrigerants with low global warming potential (GWP) and high latent heat hydrofluorocarbons (HFCs) in precise ratios. For this investigation, an experimental apparatus was built to obtain vapor–liquid equilibrium (VLE) data for the R152a + R1216 mixture within temperatures of 283.15 to 313.15 K. To depict the VLE characteristics of the binary systems, the Peng-Robinson (PR) equation of state (EoS) was utilized with the van der Waals (vdW) mixing rule. And to compare, the Huron and Vidal first-order (HV) and the Wong-Sandler (WS) mixing rules were utilized alongside the PR EoS and the non-random two-liquid (NRTL) activity coefficient model to correlate the acquired data. The findings indicated that the models showed strong concurrence with the empirical data. The binary mixture displays a near-azeotropic phenomenon when the mole fraction of R152a is below 0.65. The azeotropic point is fall within the experimental temperature range when the R152a liquid-phase has a mole fraction between 0.3069 and 0.4104. [ABSTRACT FROM AUTHOR]

[Display omitted] • The density, and viscosity data of HBM + alkanol (C 3 -C 4) is reported. • Partial, excess partial and apparent molar volume were also calculated. • Graph theoretical approach was used to predict the V m E and Δ η values. • FT-IR analysis and Molecular Dynamic Simulation were also performed. • The η data were analyzed by using various correlations. This study investigates the density (ρ) and viscosity (η) of a binary mixture of methyl 2-hydroxyisobutyrate (HBM) with alkanol such as isomers of propanol and n–butanol at pressure 0.1 MPa and at T = 288.15 K–323.15 K. The excess molar volume (V m E) , and deviation in viscosity (Δ η) for the binary mixtures were calculated by experimentally measured ρ and η data at all temperatures. The V m E and Δ η values exhibited a negative trend for HBM and alkanol systems and to become increasingly negative as temperature increased. For all the systems, minima occur at about (x 1 ≃ 0.40 - 0.50) of HBM. The excess properties were associated with the RK polynomial equation. To examine the intermolecular interactions between the binary (1 + 2) mixtures, the V m E and viscosity data were analyzed using a graph theoretical approach (GTA), molecular dynamics (MD) simulations and numerous correlations. Moreover, the excess free energy of activation (Δ G ∗ E ) was computed utilizing η data. Additionally, FT–IR spectroscopy supported the development of H-bonding between the constituents' molecules. [ABSTRACT FROM AUTHOR]

[Display omitted] • Binary aqueous solutions of five organic salts were prepared. • Liquid densities were measured and correlated with salt molality. • Vapour pressures and osmotic coefficients were determined. • The Extended Pitzer Model of Archer was applied in the modelling of electrolytes. • Mean molal activity coefficients and excess Gibbs free energies were calculated. Due to the eco-friendliness of organic salts, they have been gradually replacing other electrolytes in different fields of chemistry. For example, they provide biocompatible salting-out agents for liquid–liquid extractions and earth-abundant materials for flow batteries. Nevertheless, reliable liquid density and vapour pressure data, which are paramount for a proper parameterisation of thermodynamic models, are often hard to find for aqueous solutions of organic salts, delaying the development of these technologies. In this work, the liquid density (ρ) of five binary aqueous solutions of organic salts (disodium tartrate, sodium potassium tartrate, dipotassium tartrate, trisodium citrate and tripotassium citrate) were measured and correlated at 298.15 and 313.15 K and 0.1 MPa. In these assays, second-degree polynomials provided determination coefficients (R 2) larger than 0.9982 in the correlation of liquid density with salt molality, for which a very accurate description of this property was accomplished. Moreover, vapour pressure osmometry (VPO) studies were carried out for these solutions at 313.15 K and 0.1 MPa. Then, the obtained osmotic coefficients (ϕ) were successfully modelled using the Extended Pitzer Model of Archer, yielding standard deviations (σ ϕ) lower than 8.61·10-3. Finally, the mean molal activity coefficients (γ ±) and excess Gibbs free energies (G E / R T) of the binary aqueous solutions of organic salts were effectively calculated, with potassium- and tartrate-based salts attaining significantly higher values than the ones composed of sodium and citrate, hinting at a more ideal solution behaviour of the former. [ABSTRACT FROM AUTHOR]

[Display omitted] • Mixtures denote strong interactions between unlike species. • Speed of sound deviations are positive and negative for Glyceline + 1-Propanol. • Mixtures show H-bonding between Glyceline and 1-Alcohols. • Glyceline + 1-Butanol exhibits a liquid phase separation. In this work, we present experimental densities, viscosities, and speed of sound of a Deep Eutectic Solvent (Glyceline) with 1-alcohols (C 2 -C 4) from (288.15 to 343.15) K at 0.1 MPa. Densities and speed of sound are from a vibrating tube densimeter while dynamic viscosities are from a rolling ball microviscosimeter. The binary mixture of Glyceline + 1-Butanol presents a liquid–liquid separation. Excess molar volumes, viscosity deviations, speed of sound deviations and isentropic compressibility deviations are calculated from experimental measurements. Excess molar volumes and viscosity deviations are negative at all temperatures. Speed of sound deviations are negative and positive. The Redlich-Kister equation is used to correlate the excess molar volume and the viscosity, speed of sound and isentropic compressibility deviations. We have used the Akaike Information Criterion corrected for small samples to obtain the optimal number of coefficients in the Redlich-Kister equation. Kinematic viscosities are correlated using the McAllister and the Nava-Rios equations. The average absolute percentage deviation of the McAllister equation is 3.09 % while for the Nava-Rios equation is 1.82 %. [ABSTRACT FROM AUTHOR]