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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2015 · IF 2.037

Equilibrium Solubility of Sodium 1-Naphthalenesulfonate in Binary NaCl + Water, Na2SO4 + Water, and C2H5OH + Water Solvent Mixtures from (278.15 to 323.15) K

Rongrong Li,Jian Wan,Yingjie Zhang,Danxia Liang,Bin Zhang,Chenghong Li

The equilibrium solubility of sodium 1-naphthalenesulfonate in binary NaCl + water, Na2SO4 + water, and C2H5OH + water solvent mixtures was measured by a steady-state method at elevated temperatures from (278.15 to 323.15) K. The results of these data were correlated by a modified Apelblat equation. The dissolution enthalpy (ΔHd) and entropy (ΔSd) of sodium 1-naphthalenesulfonate in solutions of different mole fraction were obtained.

CAS / MDL: 130-14-3
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Journal of the American Chemical Society · 2024 · IF 14.4

High-Contrast Thermochromism in Room-Temperature Transparent Layered Perovskite PEA2PbBr4 with a High Temperature-Induced Bandgap Change Rate of 0.8 meV/K

Xiaoyu Song,Xinsheng Liu,Danwen Zhang,Jingyan Liao,Siqi Zhu,Wei Zheng

Two-dimensional organic–inorganic hybrid layered perovskites have emerged as a new generation of optoelectronic materials. However, the thermochromism in organic–inorganic hybrid layered perovskites has been rarely explored in depth. A further understanding of the mechanism is necessary and favorable for the application. Here, transparent centimeter-sized single crystals of the organic–inorganic hybrid layered perovskite (C6H5C2H4NH3)2PbBr4 (PEA2PbBr4) were synthesized using an improved evaporation method. As a typical organic–inorganic hybrid layered perovskite, the PEA2PbBr4 single crystal shows high-contrast and progressive thermochromism exhibiting a change from colorlessness and transparency to lemon yellow in a wide temperature range of 200–450 K. Based on the calculation through the Varshni equation, the temperature-induced bandgap change rate directly associated with the high-contrast thermochromism of PEA2PbBr4 reaching 0.8 meV/K. This value is higher than that of many three-dimensional perovskites and traditional IV–III semiconductors. Furthermore, the temperature-dependent 193 nm photoluminescence spectra suggest that this high temperature-induced bandgap change rate of PEA2PbBr4 is a result of the competitive interaction between lattice thermal expansion and electron–phonon coupling (Fröhlich coupling coefficient ΓLO = 2.215). Based on the characteristics introduced above, PEA2PbBr4 as an organic–inorganic hybrid layered perovskite has a better performance in achieving the balance between high-contrast and high room-temperature transmittance. Therefore, PEA2PbBr4 is a material with great potential in applications like temperature-indicating labels. This work provides valuable insights into the thermochromism of layered perovskites, offering a new material system and approach for developing thermochromic materials with higher sensitivity and efficiency.

CAS / MDL: 68-12-2
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Interaction mechanism of typical phosphates with potassium salts and the inhibitory effect on K release during co-combustion of sludge and biomass

Yunqi Wu,Tinggui Yan,Weixue Xiang,Peixu Zhu,Nanxi Luo,Banglian Tang,Miao Luo

Co-combusting biomass with sewage sludge can effectively inhibit the release of alkali metals. In addition to calcium phosphates, AlPO 4 and FePO 4 are typical phosphates in fresh sludge, resulting from phosphorus removal process compliant discharge. However, the inhibitory effect of AlPO 4 and FePO 4 on potassium release have rarely been studied. This oversight may stem from the absence of AlPO 4 and FePO 4 in high-temperature ash, which instead indicates their preferred reactivity. Thus, we proposed the hypothesis regarding whether the fixation effect of AlPO 4 and FePO 4 on potassium occurs earlier than that of calcium phosphate. This research investigated the interactions and inhibitory effects of these phosphates on potassium release during the co-combustion. In this simplified system using model compounds, the conversion of volatile potassium salts was quantitively assessed by measuring the content of produced water-soluble K-phosphates. The interaction mechanism has been discussed with multiple characterization methods. The results demonstrate a significant inhibitory effect of phosphates on KOH, KNO 3 and K 2 CO 3 , with the effectiveness ranking as follows: AlPO 4  > FePO 4  > Ca 3 (PO 4 ) 2 . Over 80 % of potassium remained as soluble K-phosphates in samples treated with AlPO 4 or FePO 4 at 1000 ℃. In contrast, none of the three additives exhibited a significant inhibitory effect on KCl and K 2 SO 4 . However, the priority of the reactions converting KOH, KNO 3 and K 2 CO 3 into K-phosphates by using AlPO 4 and FePO 4 , along with the stability of the produced phosphates, suggests a promising approach to enhance the formation of more potassium phosphate while reducing KCl—the most problematic volatile component—thereby effectively mitigating potassium release.

CAS / MDL:
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LWT-FOOD SCIENCE AND TECHNOLOGY · 2024 · IF 6

Preparation of a bigel system based on k-carrageenan hydrogel and beeswax oleogel and the effect of starch on the bigel properties

Mengjing Zhou,Bin Li,Aolin Wu,Zhigang Hu,Jizhen Liu,Ying Wang,Haiying Liu

This study utilized beeswax and k-carrageenan as gelling agents to prepare oleogels and hydrogels, respectively. The amalgamation of the two gels in frozen water led to the formation of bigels. With the goal to improve the consistency and long-lasting nature of the bigel, starch was added to the mixture. A study was then done to evaluate how the addition of starch affected the thermal, mechanical, and rheological properties, as well as the capacity of the bigel to withstand freeze-thaw resilience. The results indicated that the bigel without starch exhibited a melting temperature comparable to that of the oleogel. However, the inclusion of starch resulted in a decrease in the melting temperature to 44.88 °C, accompanied by a wider endothermic peak. The enthalpy of the bigel with additional starch dramatically increased to 42.227 J/g. The addition of starch significantly improved the mechanical characteristics of the bigel, resulting in an average increase in hardness of 32.3% and Young's modulus of 54.2%. Furthermore, the bigel demonstrated exceptional freeze-thaw stability, exhibiting an average enhancement of around 5% when compared to the equivalent without starch. The use of hydrogel enhanced the thermal durability of the bigel, preventing structural collapse when the ambient temperature rose. This study proposes a method to produce starch bigels that possess excellent freeze-thaw stability and rheological properties.

CAS / MDL: 11114-20-8 9005-25-8
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2025 · IF 2.1

Solubility Determination, Hansen Solubility Parameter, Molecular Simulation, and Thermodynamic Properties of 1,3-Diaminoguanidine Monohydrochloride in 12 Monosolvents from 273.15 to 323.15 K

Xiangyu Sun,Hanbing Liang,Dongmei Zhang,Yimin Zhu,Bin Wang,Lingfeng Gao,Huaiqing Zhao,Gengxiu Zheng,Xia Jiang,Guan Wang

The solubility of 1,3-diaminoguanidine monohydrochloride (DAMG) was determined in 12 monosolvent systems, including water, methanol, ethanol, n-propanol, n-butanol, isopropanol, isobutanol, tetrahydrofuran (THF), ethyl acetate, acetonitrile, hexane, and heptane using a gravimetric method within the temperature range of 273.15–323.15 K under 101.3 kPa. DAMG exhibited the highest solubility in water followed by methanol and ethanol, which were significantly higher than other selected solvents, and the solubility of DAMG increases with temperature rises in all selected solvent systems. The obtained solubility data were correlated with modified Apelblat model, Van’t Hoff model, λh equation, and Wilson model, and the Van’t Hoff model and the λh equation show the excellent fitting performance. The Hansen solubility parameter (HSP) analysis revealed that van der Waals forces mainly affected the dissolution behavior of DAMG, while polarity had a significant effect on it. In addition, the intermolecular energies calculated by the molecular dynamics simulation (MD) and the radial distribution functions (RDF) derived from the MD trajectories support this conclusion. Moreover, the thermodynamic properties were evaluated using Van’t Hoff model, which indicated that the mixing process was mainly driven by enthalpy.

CAS / MDL: 67-56-1
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ACS Applied Materials & Interfaces · 2024 · IF 8.3

Potassium–Hydrogen Hybrid Ion Alkaline Battery: A New Rechargeable Aqueous Battery Combined a K+ Storage Cathode and an Electrochemical Hydrogen Storage Anode

Ruiqing Hua,Caiyun Xu,Hongwei Yang,Deyu Qu,Ruiming Zhang,Dan Liu,Haolin Tang,Junsheng Li,Deyang Qu

A rechargeable aqueous hybrid ion alkaline battery, using a proton and a potassium ion as charge carriers for the anode and cathode, respectively, is proposed in this study by using well-developed potassium nickel hexacyanoferrate as the cathode material and mesoporous carbon sheets as the anode material, respectively. The constructed battery operates in a concentrated KOH solution, in which the energy storage mechanism for potassium nickel hexacyanoferrate involves the redox reaction of Fe2+/Fe3+ associated with potassium ion insertion/extraction and the redox reaction of Ni(OH)2/NiOOH. The mechanism for the carbon anode is electrochemical hydrogen storage. The cathode made of potassium nickel hexacyanoferrate exhibits both an ultrahigh capacity of 232.7 mAh g–1 under 100 mA g–1 and a consistent performance of 214 mAh g–1 at 2000 mA g–1 (with a capacity retention of 92.8% after 200 cycles). The mesoporous carbon sheet anode exhibits a capacity of 87.6 mAh·g–1 at 100 mA g–1 with a good rate and cyclic performance. The full cell provides an operational voltage of 1.55 V, a capacity of 93.6 mAh g–1 at 100 mA g–1, and 82.4% capacity retention after 1000 cycles at 2000 mA g–1 along with a low self-discharge rate. The investigation and discussion about the energy storage mechanisms for both electrode materials are also provided.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Study on 6-Bromo-2-methylquinoline in Ten Monosolvents and Four Binary Blends at 278.15–323.15 K: Solubility, Correlation, and Solvent Effect

Lingli Zhang,Chunjuan Huang

The equilibrium solubility of 6-bromo-2-methylquinoline in various binary blends [ethanol/isopropanol/N,N-dimethylformamide (DMF)/methanol + water] and ten monosolvents (methanol, ethanol, n-propanol, isopropanol, ethyl acetate, toluene, acetone, acetonitrile, DMF, and water) was studied by the isothermal method at 278.15–323.15 K under 101.2 kPa. Among the ten pure solvents, the maximum solubility in mole fraction was obtained in toluene (3.318 × 10–2), followed by ethyl acetate (2.991 × 10–2), acetone (2.764 × 10–2), acetonitrile (2.528 × 10–2), DMF (2.220 × 10–2), n-propanol (9.141 × 10–3), isopropanol (8.123 × 10–3), ethanol (3.896 × 10–3), methanol (9.981 × 10–4), and water (2.888 × 10–5) at 323.15 K. In four solvent mixtures, the maximum and minimum solubilities were obtained in the (DMF + water) and (methanol + water) blends. The solubility of 6-bromo-2-methylquinoline in pure solvents was only affected by temperature and calculated by the Apelblat, van’t Hoff, and NRTL models. The Jouyban–Acree (J–A), van’t Hoff–Jouyban–Acree (V–J–A), and modified Apelblat–Jouyban–Acree (A–J–A) models were used to evaluate the solubility data in mixed systems. The calculation of solvent effect deeply explored the dissolution behavior of 6-bromo-2-methylquinoline from the molecular point of view, and the results showed that the interaction between the solute and solvent was dominant. The apparent thermodynamic properties of 6-bromo-2-methylquinoline in pure solvents were obtained by van’t Hoff plots.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Apparent Molar Volumes for the Binary Systems (NaI + H2O) and (NaIO3 + H2O) at Temperatures from 283.15 to 353.15 K at Ambient Pressure

Jiaojiao Chen,Wanjing Cui,Yafei Guo,Lingzong Meng,Hongfang Hou,Tianlong Deng

Densities of the binary systems (NaI + H2O) and (NaIO3 + H2O) were measured by an accurate Anton Paar Digital vibrating-tube densimeter at temperature intervals of 5 K ranging from 283.15 to 353.15 K at ambient pressure and molalities of sodium iodide and sodium iodate ranging from 0.16764 to 2.15208 and 0.02252 to 0.15952 mol kg–1, respectively. Based on the experimental density data of the binary systems (NaI + H2O) and (NaIO3 + H2O), thermal expansion coefficient (α) and apparent molar volume (Vϕ) are obtained using an empirical equation calculation, and the diagram for the relationship between temperature and molality was plotted. According to the Pitzer ion-interaction model of the apparent molar volume, Pitzer single salt parameters β(0)v M.X, β(1)v M.X, and Cv M.X and their correlation coefficients ai of the temperature-dependent equation f(i, p, T) = a1 + a2ln(T/298.15) + a3(T – 298.15) + a4/(620 – T) + a5/(T – 227) (where T is the temperature in Kelvin and ai values are the correlation coefficients) for NaI and NaIO3 were first obtained by the least-squares method. The obtained apparent molar volumes agree well with the experimental values, and these results indicated that the single salt parameters and the temperature-dependent formula obtained in this work were reliable.

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International Journal of Agronomy · 2020 · IF 0

Faba Bean Gall (Olpidium viciae K.) as a Priority Biosecurity Threat for Producing Faba Bean in Ethiopia: Current Status and Future Perspectives

Birhanu Kahsay Meresa,Hailay Mehari Gebremedhin

The diploid cool-season legume species, faba bean (Vicia faba L.), is one of the vital pulses for the people in the world as it maintains the sustainability of agriculture and provides nutrient-rich grains. Biotic and abiotic stresses are, however, challenging the faba bean production in many countries. The foliar diseases of faba bean are among the major constraints for the production and productivity of faba bean. Recently, a new foliar disease “Faba bean gall” caused by plant debris and soil-borne pathogen (Olpidium viciae K.) is rapidly spreading and causing high yield losses in Ethiopia. This review paper presents the distribution, impact, epidemiology, and biology of faba bean gall pathogen and principally illustrates how the application and investigation of the various diseases’ management approaches such as avoiding crop residues, crop rotation, intercropping, use of elicitors to induce host resistance, use of resistant genotypes, bioagents, compost teas, plant extracts, and lastly use of chemical fungicides could be important to control the faba bean gall disease underlying in faba bean.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Liquid–Liquid Equilibrium for Ternary Systems of Ethylene Glycol + 2-Ethyl-1-hexanol + (Water/n-Heptane) at 298.2, 308.2, and 318.2 K

Yingmin Yu,Xiaocheng Zhang,Lingxiao Yi,Min Li,Fangyu Zhang,Jiajun Wei

Liquid–liquid equilibrium (LLE) data of ternary systems {2-ethyl-1-hexanol + ethylene glycol + water/n-heptane} were measured at 298.2, 308.2, and 318.2 K under 101.3 kPa. The distribution coefficient (D) and selectivity coefficient (S) of the systems were calculated to analyze the extraction ability of the two extractants that separate 2-ethyl-1-hexanol and ethylene glycol. Meanwhile, the NRTL and UNIQUAC activity coefficient models were used to correlate the experimental data and the different model parameters were obtained by data regression. The root-mean-square deviation (RMSD) between the calculated and experimental values was less than 0.96%, indicating that both models have a reasonable correlation with the experimental data of the ternary system and can accurately predict the experimental data. GUI-MATLAB has validated the binary interaction parameters.

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JOURNAL OF SOLUTION CHEMISTRY · 2022 ·Vol. 52 ·期 1 ·91-104 · IF 2

Liquid–Liquid Equilibrium for Ternary Systems of Ethylene Glycol, 2-Ethyl-1-Hexanol and Different Extractants at 298.2 K and 101.3 kPa

Yu Yingmin,Yi Lingxiao,Wei Jiajun,Guo Hongyue,Li Min

The liquid–liquid equilibrium (LLE) data for ethylene glycol + 2-ethyl-1-hexanol + { n -hexane, 1-hexene, 2-propyl-1-heptanol, and isopropyl ether} were measured at 298.2 K under 101.3 kPa. The distribution constant ( D ) and selectivity ( S ) of 2-ethyl-1-hexanol in the systems were calculated to analyze the extraction ability of the four extractants. The Bachman and Othmer–Tobias equations were chosen to examine the experimental LLE data. The linear correlation coefficient R 2  is greater than 0.98, indicating that the linear fitting of the experimental data is good. The data were regressed by thermodynamic models NRTL and UNIQUAC. The deviation between experimental data and simulated data was calculated by the root mean square deviation (RMSD) and the absolute average deviation (AAD). The RMSD is less than 0.79% and the AAD is less than 0.46%. It indicates that the two models are suitable for the regression of the system.

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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

Solubility measurement and thermodynamic modelling of curcumin in twelve pure solvents and three binary solvents at different temperature (T = 278.15–323.15 K)

Zilong Cui,Liang Yao,Jingling Ye,Zhi Wang,Yonghong Hu

In the research, the solubility of curcumin was studied by static equilibrium method combined with HPLC. The solubility data of curcumin was measured in twelve pure solvents (dimethyl sulfoxide, tetrahydrofuran, acetone, ethyl acetate, isopropanol, acetonitrile, 1-butanol, ethanol, methanol, xylenes, n-hexane and n-heptane) and three binary solvent mixtures (acetone + tetrahydrofuran, acetonitrile + tetrahydrofuran and n-hexane + tetrahydrofuran) at different temperature (T = 278.15–323.15 K) under atmospheric pressure. The solubility values demonstrate that the solubility increased with the increase of temperature in all solvents. The modified Apelblat model and the Buchowski-Ksiazczak λh model were used to fitted the solubility data in pure solvents, the combined nearly ideal binary solvent/ Redlich-Kister (CNIBS/R-K) model and the Jouyban-Acree model were employed to adopt the solubility data in binary solvent mixtures. The RAD max of the modified Apelblat model and the λh model are 2.621% and 5.831%, the RMSD max are 6.9 × 10 -4 and 1.62 × 10 -3 , respectively. The RAD max of the CNIBS/R-K model and the Jouyban-Acree model are 2.249% and 4.901%, the RMSD max are 9.33 × 10 -3 and 3.67 × 10 -3 . Meanwhile, the KAT-LSER model was used to explore the effect of the solvation of curcumin. The fitting results of all equations prove the accuracy of the experimental data, these solubility data are very important for optimizing the extraction process and recrystallization of curcumin.

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