Journal of Solution Chemistry最新文献

The liquid–liquid equilibrium (LLE) of the mesityl oxide + diethoxymethane + water was determined at 303.15, 313.15 and 323.15 K under 101.325 kPa, which was consistent with the Treybal’s type II ternary phase behavior. The distribution coefficients (D) and selectivity coefficients (S) were used to evaluate the extraction ability of mesityl oxide to extract diethoxymethane from water. The experimental data were correlated with the NRTL and UNIQUAC thermodynamic models, and the RMSD values are both less than 0.47%, indicating that the two models can well correlate the experimental data.

The thermophysical properties, as densities, speeds of sound, and refractive indices, for pure compounds: iso-propylbenzene (cumene), cyclopentanone, and diethylketone (3-pentanone), as well as for their two selected binary mixtures, have been measured over the entire range of composition, at few temperatures between (298.15 and 318.15) K and atmospheric pressure p = 0.1 MPa. From the experimental results, the thermodynamic properties, namely: the excess molar volumes, the partial or apparent molar volumes, the isentropic compressibilities, the excess isentropic compressibilities and the excess molar isentropic compressions, have been calculated. The values of experimental excess molar volumes have been used to test the applicability of the Prigogine–Flory–Patterson (PFP) theory and the results were analyzed in terms of molecular interactions and structural effects, occurred between the components of the mixtures. Moreover, from the measured densities data, the surface tensions and the surface tension deviations, for both mixtures have been predicted. Also, using the experimental density and speed of sound data, the acoustic impedance values were estimated. From the experimental refractive index data, the deviations in refractive indices, the molar refractions and the excess molar refractions, have been calculated. Furthermore, the refractive indices values have been used for the prediction of the space-filling factor and the specific refraction. All the excess thermodynamic properties calculated for both mixtures, have been correlated with composition by the Redlich–Kister polinomial equation. The values of the excess properties have been represented graphically. The parameters of correlation were estimated and their values have been reported at working temperatures.

Densities, dynamic viscosities, and refractive indices for four binary mixtures formed by dibutyl ether with ethyl caprylate, ethyl caprate, ethyl laurate or ethyl myristate over the whole composition range were measured at T=(293.15–323.15 K) and atmospheric pressure. The excess molar volume (V_m^E), viscosity deviation (Δη), and refractive index deviation (Δn_D) for the four systems are calculated and then correlated to the Redlich–Kister polynomial. The V_m^E and Δη values are all negative over the entire range of mole fractions. The absolute values of V_m^E for the mixtures increase with increasing temperature and the absolute values of Δη decrease with increasing temperature. The Δn_D values with the volume fraction for the four binary systems are all positive over the entire composition range. The experimental results can provide reliable data for the compatibility of biodiesels and their blended fuels.

This study presented the experimental data for NaCl and KCl solubility in the 1-propanol, 2-propanol, 1-butanol, acetonitrile, and propylene glycol. The solubility values were measured by a laser-based technique at 293.15–313.15 K and the generate data were correlated to some mathematical models and their accuracy was studied by the mean relative deviations for the back-calculated data. Furthermore, the apparent thermodynamic parameters of NaCl and KCl dissolution were also studied according to the van’t Hoff and Gibbs equations.

The study aimed to investigate the solubility and thermodynamic properties of ivermectin in two binary solvent mixtures including (1-propanol + water) and (2-propanol + water). The study was conducted over a temperature range of 293.2–313.2 K. Ivermectin solubility was found to increase with temperature in both solvent systems, with higher solubility values observed at elevated temperatures and in mixtures containing 0.8 mass fraction of 1-propanol and 2-propanol. Furthermore, comparative analysis revealed that the solubility of ivermectin was significantly higher in mixtures composed of 1-propanol and water compared to those comprising 2-propanol and water. In order to analyze the experimental solubility data, a variety of linear and nonlinear models was utilized and subsequently their mean relative deviations (MRD%) to the experimental values was compared to assess their effectiveness. Computed MRD% lower than 27% demonstrated promising results in predicting and describing ivermectin solubility in binary mixtures. Additionally, the study calculated apparent thermodynamic parameters, including Gibbs energy, enthalpy, and entropy, using the van’t Hoff and Gibbs equations. Thermodynamic analysis indicates that ivermectin dissolves readily in both mixtures due to a decreased Gibbs free energy, increased entropy, and heat absorption during dissolution.

The mean ionic activity coefficients of NaCl in the system {yNaCl + (1 − y) NaH₂PO₄}(aq) were determined by electromotive force measurements (EMF) in two series in which the NaCl ionic strength fraction was as follows: I series, y = (0.2368; 0.3101; 0.4101; 0.5051; 0.6090; 0.7775; 0.9039) and II series, y = (0.1998; 0.4005; 0.5993; 0.8105) in the range of total ionic strength of the solution I_m = (0.0887–1.0081) mol·kg⁻¹ at a temperature T = 298.15 K. A cell of the Na–ISE∣({text{NaCl}(m}_{text{NaCl}})), ({text{Na}}{text{H}_{2}text{PO}}_{4}{(m}_{{text{Na}}{text{H}_{2}text{PO}}_{4}}))∣Ag∣AgCl type was utilized for the EMF measurements. The standard electrode potential of the electrode pair was estimated as E⁰ = 23.2288 mV. The values of the mean ionic activity coefficient of NaCl in the mixed electrolyte solution, ({gamma }_{pm text{NaCl}}), were determined using the Nerst equation. The experimental results from this study were treated with the models proposed by Pitzer, Clegg and Scatchard to estimate the mixture parameters. A high degree of agreement was found between the experimental and calculated values of the mean ionic activity coefficients of NaCl with an average standard deviation of fit being (text{s}.text{d}.left({gamma }_{pm }right)sim) 2.5·10^–3 for each of the three models. The values of the osmotic coefficients of the system {yNaCl + (1 − y)NaH₂PO₄}(aq) were estimated based on the determined model parameters and compared with literature data. Negligible differences were found between the estimated and experimental values of the osmotic coefficients.

In this review, we aim to present the unique physicochemical properties of protic ionic liquids (PILs) composed of alkyl (= hexyl, octyl, and 2-ethylhexyl) ethylenediaminium cations paired with trifluoroacetate (= TFA), trifluoromethanesulfonate (= TFS), bis(trifluoromethylsulfonyl)imide (= TFSA) anions, and acyl (= butanoyl, hexanoyl, octanoyl, decanoyl, and dodecanoyl) alaninate anions. Our primary objective is to evaluate the performance of these PILs, particularly those with hexyl- or 2-ethylhexylethylenediaminium cations, which demonstrate the potential for forming room-temperature PILs with lower viscosity and higher electroconductivity. Furthermore, we investigate the thermal degradation temperatures, revealing that PILs with TFSA anions possess the highest thermal stability, followed by TFS, acylalaninate, and TFA anions. The distinctive chelating ethylenediamine moiety in the cationic unit of these PILs, especially in AA-PILs with acylalaninate anions, enhances their ability to encapsulate transition metal ions, making them highly effective for metal ion coordination, with a preference order of Cu²⁺ > Co²⁺ > Ni²⁺. This study underscores the potential of these PILs for applications in metal-containing wastewater treatment and the synthesis of metal nanomaterials, highlighting their versatility and importance in these fields.

This study investigated the solid–fluid and vapor–liquid equilibrium of varying the molar fraction of ketoprofen in binary system (CO₂ + ketoprofen), 3.14 × 10^–5, 4.70 × 10^–5 and 8.11 × 10^–5, and the concentration of ketoprofen in ternary system (CO₂ + ethanol + ketoprofen), 0.05073 and 0.10277 mol_Ketoprofen·kg_ethanol⁻¹, on a CO₂-free basis for both systems. The aim was to study the solubility of ketoprofen at different molar fractions and predict its behavior over a wide range of temperatures and pressures by means of thermodynamic modeling. Experiments were conducted as a function of temperature from 313 to 333 K and pressure up to 14 MPa, using a visual synthetic static method with a variable volume cell. The collected data highlight an increase of the ketoprofen solubility with the temperature, while a ketoprofen content has a low impact on the bubble point pressure of the tested ternary system. Data were then correlated by using the thermodynamic modeling employed the Redlich–Kwong–Peng–Robinson equation of state (RK–PR EoS) with quadratic mixing rules for fluid phases and a pure solid model for ketoprofen. Then, a number of complete isopleths at set global composition were computed for the CO₂ + ketoprofen binary system being indicated solid–fluid, solid–fluid–fluid, and fluid–fluid regions. The obtained results suggest that the thermodynamic models used in this work were able to describe the experimentally observed phase behavior.

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Chiral interactions play a crucial role in both chemistry and biology. Understanding the behavior of chiral molecules and their interactions with other molecules is essential, and chiral interactions in solutions are particularly important for studying chiral compounds. Chirality influences the physical and chemical properties of molecules, including solubility, reactivity, and biological activity. In this work, we used isothermal titration calorimetry (ITC), a powerful technique for studying molecular interactions, including chiral interactions in solutions. We conducted a series of ITC measurements to investigate the heat of dilution and the heat of racemization of several amino acids (Asparagine, Histidine, Serine, Alanine, Methionine, and Phenylalanine). We also performed ITC measurements under different solute concentrations and temperatures to examine the effects of these parameters on chiral interactions, as well as the heat of dilution and racemization. The results of our measurements indicated that the heat of dilution, specifically the interactions between the solvent (water) and solute (chiral molecules), had a significant impact compared to the chiral interactions in the solution, which were found to be negligible. This suggests that the interactions between chiral molecules and the solvent play a more dominant role in determining the overall behavior and properties of the system. By studying chiral interactions in solutions, we can gain valuable insights into the behavior of chiral compounds, which can have implications in various fields, including drug design, chemical synthesis, and biological processes.

Acetylene (C₂H₂) is a colourless and odourless gas, making leak detection challenging. It can react with certain metals, such as copper and silver, to form highly sensitive and explosive compounds. Therefore, designing a highly efficient C₂H₂ sensor is of paramount importance for environmental and safety reasons. Utilizing deep eutectic solvents (DESs) offers a cost-effective and efficient method for sensing and removing C₂H₂. Theoretical exploration of a DES composed of choline chloride and amino acid was conducted using density functional theory (DFT) calculations to assess its efficacy in adsorbing C₂H₂. The DESs were optimized, and calculations were executed using Gaussian 16 software with the 6-311G* (d,p) basis set and the B3LYP method. The DES exhibited anticorrosive and antioxidant properties, which could enhance the stability and longevity of the sensor, especially in harsh environments. Among the DES systems studied, the system labelled 17A exhibited the most negative Gibbs free energy as determined by the DFT calculations. The change in optimization energy for the 10AAc system in the gaseous state was found to be − 0.3054 kJ·mol^–1. Additionally, Molecular Dynamics (MD) simulations were performed to analyse the interactions of the DES-C₂H₂ complex with the lowest optimization energy (10AAc) using Root Mean Square Deviation (RMSD) and Root Mean Square Fluctuation (RMSF) trajectories.

Graphical Abstract