Journal of Solution Chemistry最新文献

The solubility of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) in propanoic acid + water (PA + water) binary mixed solvents was studied. The solubility of DNTF in the temperature range of 293.15 ~ 333.15 K at atmospheric pressure (0.1 MPa) was measured by a laser dynamic method. In order to expand the applicability of solubility, the Apelblat equation, van’t Hoff equation, GCM Model, and Jouyban-Acree Model were used to correlate the solubility, and satisfactory results were obtained. In addition, apparent thermodynamic parameters such as standard dissolution enthalpy, standard dissolution entropy, and standard Gibbs free energy of DNTF in these solvents were calculated. The solubility of DNTF will provide necessary support for industrial production, crystallization and further theoretical research. These findings provide valuable insights for future research on DNTF crystallization.

Oxygen (O₂) solubility in hydrocarbons plays a crucial role to control conversion and product selectivity during liquid phase oxidation of hydrocarbons to produce petrochemicals. In spite of its importance, experimental measurements of O₂ solubility in liquid hydrocarbons are not abundant. Because it is challenging to experimentally determine the oxygen in hydrocarbons following traditional titration method as reagents react with hydrocarbons. In the current study, the O₂ solubility was measured using a differential pressure-based measurement method in n-heptane, n-decane, n-dodecane, n-tetradecane, n-hexadecane, and tetralin at 294 K. Henry constants were calculated and were in the range 0.03–0.40 mol‧m⁻³‧kPa⁻¹. At 140 kPa O₂ pressure, in n-tetradecane and n-hexadecane O₂ solubility was in the range 4–24 mol‧m⁻³, compared to O₂ solubility in n-heptane and n-decane which was in the range 27–57 mol‧m⁻³. The O₂ solubility expressed as a mole fraction of the total liquid appeared to have a slightly decreasing trend with an increase in carbon number in the alkanes.

Experimental molar solubility data for sodium acetate trihydrate (NaAc·3H₂O) dissolved in binary solvent mixtures of methanol, ethanol, 1-propanol, acetonitrile, and water at 298.2 K was determined using the shake–flask equilibration method followed by the quantification of the dissolved solute by flame photometric determination. Differential scanning calorimetry (DSC) analyses of both the un-processed and equilibrated NaAc·3H₂O in the neat solvents were recorded at 298.2 K to determine the thermal behavior of NaAc·3H₂O. The experimental solubility data were analyzed using a linear model of Jouyban-Acree. The applicability of the model to describe the observed solubility data was assessed by calculating the mean percentage deviations between the back-calculated and experimental values. Also, the combined nearly ideal binary solvent/Redlich–Kister (CNIBS/R-K) equation was employed to provide a mathetically description the solubility data under isothermal conditions. The possibility of prediction of the solubility of trihydrate form of sodium acetate based on the CNIBS/R-K model trained using the experimental solubility of the anhydrous form was also investigated. The computational results indicated that the models considered yielded solubility predictions within an acceptable error level.

The temperature-dependent molar volumes of 14 neat alcohols, including the homologous set of straight-chain primary alcohols, selected secondary alcohols, ethylene glycol, and selected alcohols with deuterated hydroxyl groups were measured in anticipation of uncovering systematic properties applicable to other neat liquids. For example, the addition of a single methylene group sequentially from ethanol to n-heptanol increases the molar volume by the nearly constant value of 16.385 ± 0.019 cm³·mol⁻¹ at 0 °C. This linear behavior is exhibited at all temperatures studied. This constitutive property of molar volumes was reported previously for the partial molar volumes of aqueous alcohols, poly[vinyl alcohol], and organo-metallic complexes. Moreover, a method is proposed to partition the molar volumes into portions dependent upon intermolecular interactions, both attractive and repulsive (herein referred to as V_int, the apparent intrinsic volume), as well as a portion reflecting the tendency for molecules to separate due to thermal kinetic energy (herein referred to as V_exp, the expansive volume).

In the current work, the solubility studies of mesalazine were performed in 1,4-dioxane + water mixtures at five different temperatures (293.2–313.2K). The experimental solubility data were correlated with some linear and non-linear cosolvency models (i.e., the van’t Hoff, the Jouyban-Acree, and modified Wilson). The maximum solubility of mesalazine in mole fraction unit was 2.75 × 10^–4 in neat 1,4-dioxane at 313.2K and the minimum solubility was 1.20 × 10^–4 in water at 293.2K. The accuracy of the cosolvency models was investigated with the mean relative deviations for solubility prediction of the back-calculated solubility data against experimental values, and results showed high accuracy with MRDs% (< 9.0%). The Gibbs energy, enthalpy, and entropy were calculated utilizing the van’t Hoff and Gibbs equations. Moreover, the density values for saturated mixtures were measured and represented by the Jouyban-Acree model. This study provides, for the first time, the determination of experimental solubility data of mesalazine in 1,4-dioxane + water mixtures.

1,3-Dinitropyrazole serves as a crucial intermediate in pharmaceutical synthesis and is also recognized as a high-energy density material. Its purity can affect the yield, safety, and stability of the product. Recrystallization is a pivotal step in its purification. This study investigates the solubility of 1,3-dinitropyrazole in twelve solvents, offering guidance for the selection of appropriate solvents. The solubility of 1,3-dinitropyrazole in a selection of twelve solvents, including water, methanol, ethanol, acetonitrile, hexane, cyclohexane, dichloromethane, dichloroethane, benzene, toluene, ethyl acetate, and acetone, was measured by the gravimetric technique across a temperature spectrum from 278.15 to 318.15 K at atmospheric pressure. Under ambient conditions at 298.15 K, the order of solubility was as follows: acetonitrile (48.201 × 10^–2) > acetone (45.012 × 10^–2) > dichloromethane (37.019 × 10^–2) > ethyl acetate (36.088 × 10^–2) > dichloroethane (33.244 × 10^–2) > benzene (19.563 × 10^–2) > methylbenzene (15.221 × 10^–2) > methanol (5.531 × 10^–2) > ethyl alcohol (3.078 × 10^–2) > cyclohexane (0.060 × 10^–2) > hexane (0.053 × 10^–2) > water (0.051 × 10^–2). Additionally, the solubility in these 12 pure solvents increases as the temperature rises. The efficacy of four established thermodynamic models, including the Apelblat equation, Jouyban–Acree model, van’t Hoff model, and λh model, was evaluated via R², ARD and RMSD criteria. Notably, the Apelblat equation and Jouyban–Acree models demonstrated exceptional accuracy, with the Jouyban–Acree model emerging as the optimal choice for predicting the solubility of 1,3-dinitropyrazole. Meanwhile, the application of Hansen solubility parameters in predicting and analyzing solubility also has its limitations. The data pertaining to the solid–liquid equilibrium of 1,3-dinitropyrazole across a range of solvents are indispensable for the initial assessment of its utility in industrial contexts.

Biosurfactants have garnered significant attention amid rising environmental concerns associated with traditional surfactants. These amphiphilic compounds are biologically synthesized by a variety of microorganisms. Their appeal stems from several advantageous characteristics: lower toxicity, enhanced effectiveness, selectivity, environmental friendliness, stability, high biodegradability, and the ability to function effectively under extreme conditions. Due to these attributes, biosurfactants are often referred to as "green" surfactants. This review commences by outlining the fundamental nature of biosurfactant molecules and their classifications. It proceeds to provide a concise overview of the diverse methods employed for their preparation. Finally, the review highlights the pivotal role of biosurfactants with essential properties tailored for a diverse applications across various industries. Researchers aim to harness the full potential of biosurfactants, surpassing the demands of modern applications and solidifying their role as indispensable components in sustainable and environmentally conscious practices worldwide.

Gas capture of pollutants such as SO₂ that occur in flue gas, heavy oil refining and metallurgical processes is a necessary and important topic for the environment. In this work, bubble point pressures are reported for SO₂–dimethyl ether at (298.15–323.15) K, SO₂–1,4-dioxane at (293.15–298.15) K, and SO₂–polyethylene glycol dimethyl ether (PEGDME, M_w = 240) at (288.15–323.15) K for the purpose to understand SO₂–ether group interactions. Experimental bubble point pressures were lower than those expected from Raoult's law and showed strong interactions between SO₂ and functional ether group. Experimental data were correlated with Flory–Huggins and ASOG group contribution models. Only the two groups, SO₂ and –CH₂OCH₂–, and were considered in the ASOG model with the group pair interaction parameters being determined from data at the azeotropic point of the SO₂–dimethyl ether system. The ASOG group contribution model was found to be more reliable for calculation than the Flory–Huggins model and gave average relative deviations (ARDs) of 2.25% and 7.05% for the bubble point pressures of the SO₂–dimethyl ether and SO₂-1,4-dioxane systems, respectively. A steric factor, ({f}_{{-text{CH}_{2}}text{OCH}_{2}-}) = 0.589 for the –CH₂OCH₂– group in PEGDME allowed the ASOG model to calculate bubble point pressures with an ARD of 5.61% for the SO₂–PEGDME system. PEGDME and related polyethers can be considered as possible SO₂ gas capture solvents.

The kinetics of the reaction of 5-nitroisatin with morpholine in water–acetonitrile and water–methanol solvents was followed spectrophotometrically in the ranges of solvent composition (10–90% v/v) over the temperature range from 25 to 45 °C. The reaction was measured under pseudo-first-order condition respect to 5-nitroisatin and the overall reaction is second-order rate. The rate constant of reaction decreased with increasing organic solvent ratios and strongly increased with increasing water ratios in both mixed solvents. The thermodynamic activation parameters were calculated and explained. Both linearity and non-linearity were observed between log k_N and reciprocal dielectric constant for both solvents suggesting that the reaction of 5-nitroisatin with morpholine depends on specific as well as non-specific solvation of the medium. The reactivity was analyzed in the light of various single, dual, and multiple-regression equations using Kamlet–Taft solvatochromic parameters which were applied successfully to the mixed aqueous–acetonitrile and aqueous–methanol mixtures. Finally, a mechanism for the reaction is proposed.

The composition of coexisting phases for liquid-liquid and solid-liquid-liquid equilibria were measured at 298.2 and 313.2 K and under atmospheric pressure for the following systems: {sodium bromide + formamide + ethyl acetate}, {sodium thiocyanate + ethanol + (R)-limonene}, and {sodium thiocyanate + methanol + dibutyl ether}. These concentrations were determined mainly by chromatography and, for the first system, with the help of argentometric titration. The standard uncertainties in mole fractions varied between 0.001 and 0.008. The tie-line data were reproduced by the NRTL model with medium accuracy. Several empirical equations were used and tested to correlate binodal curves. The rational form of the equation, based on the liquid–liquid–solid tie-line, turned out to be the most adequate.