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Phase Equilibrium of (Na+, Cs+//Cl––H2O) System at 313.15 K: Focus on [Cs1– x (Na·H2O) x ]Cl Solid Solution

Linxue Yan,Tianyi Wang,Kangrui Sun,Kangnan Cheng,Jiantuan Jia,Yafei Guo,Tianlong Deng

Abstract The isothermal dissolution equilibrium method was employed to investigate the phase equilibrium and phase diagram of the ternary system (Na+, Cs+//Cl––H2O) at 313.15 K. This ternary system features the coexistence of double salts and solid solutions. The solid solution, formulated as ([Cs1–x(Na·H2O)x]Cl), was characterized by wet-residue analysis, X-ray diffraction, scanning electron microscopy, energy-dispersive spectroscopy, and thermogravimetry–differential scanning calorimetry (TG–DSC). Three representative equilibrium compositions of the solid solution and their respective proportions within the crystallization region were determined, and the results were compared with those of the two pure salts (NaCl and CsCl). The physicochemical property diagrams indicate that both density and refractive index increase with rising cesium chloride content. A comparative phase diagram of the ternary system (Na+, Cs+//Cl––H2O) was constructed over the temperature range from 298.15 to 318.15 K. The results show that as temperature increases, the crystallization region of NaCl expands, whereas the crystallization regions of CsCl·2NaCl·2H2O and [Cs1–x(Na·H2O)x]Cl simultaneously contract.

Densities and Viscosities of Binary Mixtures of Cyclohexene Oxide with 1-Butanol, 1-Pentanol, 1-Hexanol, and 1-Heptanol from 298.15 to 313.15 K

Xiaoru Pan,Kong Xiangyan,Li Dan

In this experiment, the viscosities and densities of binary systems consisting of cyclohexene oxide with 1-butanol, 1-pentanol, 1-hexanol, 1-heptanol were measured at different temperatures ranging from 298.15 to 313.15 K. Based on these data, excess molar volumes and viscosity deviations were calculated. The excess properties were correlated using the Redlich–Kister equation.

K 7 MgY 2 (B 5 O 10 ) 3 : A novel ultraviolet nonlinear optical crystal based on the [B 5 O 10 ] functional unit

Haozhen Liu,Shiyu Du,Paipai Zhang,Jiawei Zhao,Yanna Chen,Donghai An

A high-performance ultraviolet (UV) nonlinear optical (NLO) material requires three essential characteristics: a short UV absorption edge, a strong secondharmonic generation (SHG) response, and favorable NLO coefficients. In this study, a novel rare-earth borate compound with the formula K 7 MgY 2 (B 5 O 10 ) 3 was successfully synthesized using a high-temperature solution method combined with chemical cosubstitution. The crystal adopts a non-centrosymmetric (NCS) structure (space group R32) and exhibits an SHG intensity 1.3 times that of potassium dihydrogen phosphate (KDP) under 1064 nm laser irradiation. Its UV cutoff edge is determined to be 290 nm, demonstrating exceptional potential for UV optical applications. Combined experimental and theoretical analyses reveal that the synergistic interplay between polarizable [B 5 O 10 ] groups and heterovalent K + /Mg 2+ /Y 3+ substitution underpins its superior NLO performance.

alan j. k. sanders: historical dictionary of mongolia. (asian/oceanian historical dictionaries, 42.) lxxiii, 419 pp. lanham and oxford: the scarecrow press, 2003. £40.

george lane

Solid–Liquid Equilibrium Solubility Determination, Modeling, and Thermodynamic Analysis of Ciclopirox Olamine in Ten Monosolvents and Binary Mixed Solvents from 283.15 to 328.15 K

Yue Zhang,Guoqiang Zhou,Jiacheng Li,Zijie Zhang,Jiaqi Li,Yufei Zhang,Gang Shu,Hualin Fu,Funeng Xu,Juchun Lin,Haohuan Li,Wei Zhang

CPO (ciclopirox olamine) is a broad-spectrum antifungal agent, and there is currently a lack of research on its solubility. The solubility of CPO in ten monosolvents and binary solvents at different ratios was determined using the static method at temperatures ranging from 283.15 to 328.15 K. The dissolution behavior consistently followed the pattern of increasing solubility with rising temperature. Experiment demonstrated that CPO exhibited the highest solubility in n-octanol and the lowest solubility in ethyl acetate. Furthermore, the experimental results were interpreted using analysis of solvent polarity, Hansen solubility, and KAT-LSER equations and concluded that the favorable solvents of CPO tend to possess strong hydrogen-bonding donor properties, moderate polarity, and strong solvent interaction capability. The experiment characterized CPO using Differential Scanning Calorimetry (DSC). And, X-ray diffraction (XRD) measurements indicated no changes in crystal structure during the experimental process. Solubility data for the ten monosolvents were correlated using Apelblat, Van’t Hoff, Jouyban, and non-random two-liquid (NRTL) equations. Binary solvent solubility data were correlated using Apelblat, Van’t Hoff, Grafting Solvation Model (GSM), Non-Random Two-Liquid (NRTL), Sun, and Apelblat–Jouyban–Acree equations. The RMSD and ARD values for all data are relatively small, indicating excellent structural model fitting.

Highly Selective Production of Renewable 1,3-Pentadiene from 1,4-Pentanediol over an Acid–Base (K–Ce/ZrSi) Catalyst by Adjusting the Parallel-Reaction Pathway

Dongying Yan,Ruilin Feng,Yanlong Qi,Chenxi Bai

Selective synthesis of 1,3-pentadiene without 1,4-pentadiene formation is challenging as well as rewarding because of the widespread use of 1,3-pentadiene in adhesive, paint, and curing agent production. Herein, modified K–Ce/ZrSi catalysts with acid–base sites were synthesized for the production of 1,3-pentadiene from 1,4-pentanediol. The overall 1,3-pentadiene yield was 74.7%, while the 1,4-pentadiene yield was 1.3%. On the catalyst, two parallel routes (direct dehydration and dehydra-decyclization) for the conversion of 1,4-pentanediol to 1,3-pentadiene were disclosed. The 4-position hydroxyl group was first activated and then eliminated on the acid sites. It was considered that the acid–base sites of catalysts exhibited a synergistic effect for the selective dehydration of 1,4-pentanediol to 1,3-pentadiene, where the medium strength Lewis acid sites and weak base sites were responsible for the elimination of the hydroxyl group and the corresponding β1-H, thereby inhibiting the formation of 1,4-pentadiene. Furthermore, a plausible reaction network was proposed.

Preparation of Polyoxometalate-Based Composite by Solidification of Highly Active Cobalt-Containing Polytungstate on Polymeric Ionic Liquid for the Efficient Isolation of Proteinase K

Jiaxuan Yang,Ning Chu,Xuwei Chen

A novel porous polyoxometalate (POM)-based composite (Co4PW–PDDVAC) was prepared via the solidification of water-soluble polytungstate (Co4PW) on the polymeric ionic liquid dimethyldodecyl-4-polyethylene benzyl ammonium chloride (PDDVAC) via a cation-exchange reaction. The solidification was confirmed by EDS, SEM, FT-IR, TGA, and so on. The strong covalent coordination and hydrogen-bonding interaction between the highly active Co2+of the Co4PW and the aspartic acid residues of proteinase K endowed the obtained Co4PW–PDDVAC composite with excellent proteinase K adsorption properties. Thermodynamic investigations indicate that the adsorption behavior of proteinase K was consistent with the linear Langmuir isothermal model, giving an adsorption capacity as high as 1428 mg g−1. The Co4PW–PDDVAC composite was applied in the selective isolation of highly active proteinase K fromTritirachium albumLimber crude enzyme fluid.Keywords:polyoxometalate;water-soluble polytungstate;polymeric ionic liquid;proteinase K (PrK);isolation

Experimental Investigation of Binary (Solid + Liquid) Equilibrium and Dissolution Property Analysis for Acetoacetanilide in 16 Organic Solvents at Temperatures from 272.25 to 324.15 K

Yajun Li,Kui Wu

The solid–liquid phase equilibrium of acetoacetanilide (AAA) in 16 solvents, including 8 alcohols, 4 ketones, 3 esters, and acetonitrile, from 272.25 to 324.15 K under atmospheric pressure was measured by the gravimetric method. The solid–liquid equilibrium curve of AAA indicated an increasing trend with the increase in temperature. The highest solubility value is found in cyclopentanone, and the solvent polarity is a critical factor influencing the solubility behaviors but not the only one. Moreover, the modified Apelblat model, λh model, NRTL model, and Wilson model were used to correlate the measured data. The modified Apelblat model showed the most satisfactory agreement. Furthermore, the dissolution thermodynamic properties (ΔdisS, ΔdisH, and ΔdisG) of AAA in selected solvents were estimated on the basis of thermodynamic relations and the regressed Wilson model. The binary equilibrium data and dissolution properties reported in this work can provide the fundamental thermodynamic data for the synthesis, separation, and further study of AAA in industry as well as the academic arena.

Wide band gaps in nonlinear optical materials AMgAgGa6S11 (A = K, Rb) achieved by the incorporation of dual s-block elements in Ag-based sulfide

Wen-Fa Chen,Xiao-Ming Jiang,Bin-Wen Liu,Guo-Cong Guo

Infrared (IR) nonlinear optical (NLO) material with a concurrently wide band gap and significant NLO coefficient in a single crystal is an incompatible but addressable challenge. Hence, for the first time, the AgGaS 2 structure evolved into an Ag-based sulfide system integrating dual s -block elements, guiding the discovery of two NLO crystals named AMgAgGa 6 S 11 (A = K, 1 ; Rb, 2 ). Structurally, title phases possess a novel NLO functional motif [AgGa 6 S 17 ] assembled by two C 2 -type supertetrahedra through a shared [AgS 4 ] tetrahedron, in which the electropositive cations A + and Mg 2+ are embedded. Thus, compounds 1 and 2 display emulative band gaps (3.15 and 3.25 eV, exceeding that of 2.65 eV in AgGaS 2 ) toward optimizing the laser-induced damage thresholds (3.1 and 3.2 × AgGaS 2 @1064 nm). Remarkably, the noncentrosymmetric phases 1 and 2 exhibit moderate second-harmonic generation (SHG) responses (0.6 and 0.7 × AgGaS 2 @1910 nm), the greater-than-commercial half of the AgGaS 2 . To the best of our current knowledge, an experimental birefringence of 1 and 2 (0.029 and 0.027, @546 nm) is first observed in quinary ordered chalcogenides , indicating that samples 1 and 2 meet phase-matching conditions at the incident laser of 1910 nm. All these observations demonstrate that crystals 1 and 2 can become prospective NLO materials. This research will pave the way for discovering excellent IR NLO crystals with wide band gaps and impressive NLO coefficients by incorporating multiple strong electropositive elements into chalcogenides .

Measurement and Analysis of Solvent Behavior and Thermodynamic Properties of 3,4,5-Trimethoxycinnamic Acid in Industrial Common Solvents with Different Temperatures (T = 278.15–323.15 K)

Xinxin Cheng,Liang Yao,Ting Wang,Yanju Zhang,Rensong Wang,Peng Zhou,Wenge Yang,Bin Zhou,Li Mi,Yonghong Hu

Herein, the solubility and thermodynamic characterization solubility of 3,4,5-trimethoxycinnamic acid (TMCA) were studied by a static equilibrium method combined with high-performance liquid chromatography (HPLC), which provided a significant reference for crystallization and industrial separation of TMCA. First, the solubility data of TMCA was measured in 11 industrial common solvents and 4 binary mixed solvents at different temperatures (278.15–323.15 K) under atmospheric pressure. The results showed that the solubility of TMCA in the test solvents was positively correlated with temperature. In binary solvents, the increase in the mole fraction of the cosolvent also facilitated the dissolution of TMCA. Then, the monosolvent solubility data obtained in the experiment were fitted by the Buchowski–Ksiazaczak λh model and modified Apelblat model. The binary mixed solvent solubility data obtained in the experiment were fitted by the CNIBS/R–K model, Jouyban–Acree model, and SUN model. Meanwhile, the KAT-LSER model was also used to explore the effect of the solvation of TMCA. Furthermore, as can be seen from differential scanning calorimetry (DSC) and X-ray diffraction (XRD) analyses, the purity of the sample is without crystal transformation before and after dissolution, indicating that the physical and chemical properties of the TMCA sample are stable in the experimental process, and the experimental data have good accuracy and reliability.

Solid–Liquid Phase Equilibria and Boron Species Distribution in the Quaternary System LiCl–LiBO2–Li2B4O7–H2O at T = 323.15 K and P = 0.1 MPa

Tao Zhang,Liwei Zhuang,Dan Li,Lingzong Meng,Tianlong Deng,Yafei Guo,Yong Ma

The solubilities of salts, refractive indices, and pH values of the equilibrium liquid phases in the quaternary system LiCl–LiBO2–Li2B4O7–H2O at 323.15 K were investigated by the isothermal dissolution method for the first time. The dry-salt diagram of the quaternary system consisted of one invariant point, three univariant curves and three crystallization fields corresponding to LiCl·H2O, LiBO2·2H2O, and Li2B4O7·3H2O. The solution refractive indices and pH values change regularly with the changing of concentration. Combining the equilibrium constants for different boron species, the distributions of six boron species in the mixed solution in the systems LiCl–LiBO2–H2O, LiBO2–Li2B4O7–H2O, and LiCl–Li2B4O7–LiBO2–H2O were calculated with the total boron concentration and pH values. The main boron species in the mixed solution of the quaternary system are B3O3(OH)4–, B4O5(OH)42–, B(OH)3, and B5O6(OH)4–. The boron species distributions are mainly affected by the pH values and the concentration of total boron and LiCl in the solution. The results of phase diagram and boron species distribution in the quaternary system can supply foundation data for separating lithium borate from brines.

Mean Activity Coefficients of NaNO3 and the Mixing Ion-Interaction Parameters in the Ternary System (NaNO3 + CsNO3 + H2O) at 298.15 K by EMF Method

Yanqin Meng,Libin Yang,Qing Xu,Yafei Guo,Tianlong Deng

Ion-selective electrodes directly respond to the activity of target ions without destroying the existing form of the original electrolyte, so ion-selective electrodes have been widely used in various fields. Mean activity coefficient of NaNO3 in the ternary system (NaNO3 + CsNO3 + H2O) at 298.15 K was measured by electromotive force (EMF) with the cell: Na+ ion-selective electrode (Na-ISE)|NaNO3 (mA), CsNO3 (mB)|NO3- ion-selective electrode (NO3-ISE) with total ionic strengths from 0.01 to 4.5 mol·kg-1 at different ionic strength fractions (0, 0.1, 0.2, 0.4, 0.6, and 0.8). The results showed that the Na-ISE and NO3-ISE have a good Nernst response, and the mean activity coefficients of NaNO3 are obtained via the Nernst equation. Based on the data of mean activity coefficients of NaNO3, the relationship diagrams of activity coefficients of NaNO3 against ion strengths in the ternary system were demonstrated, and the Pitzer mixing ion-interaction parameters and were obtained.