JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Chang-Wei Peng,Rui-Zhi Cui,Shi-Hua Sang,Hong-Bao Ren
According to the composition characteristics of mineral elements in underground brine in the Sichuan basin of China, the complete phase equilibria and phase diagram of the quinary system LiBr–NaBr–KBr–MgBr2–H2O were studied at 298.15 K. Using the experimentally determined solubilities and equilibrium solids, the spatial stereo phase diagram of the quinary system, the dry base projection phase diagrams of the saturated surfaces of the four salts MgBr2·6H2O, KBr, LiBr·2H2O, and NaBr·2H2O, and the corresponding water content diagrams were plotted, respectively. The experimental results show that at 298.15 K, in addition to the four original components, the anhydrous salt NaBr and the double salt KBr·MgBr2·6H2O are formed. The phase diagram of the quinary system at 298.15 K contains 10 univariate curves, three invariant points, and six equilibrium solid-phase crystallization regions (KBr crystallization region, NaBr crystallization region, NaBr·2H2O crystallization region, MgBr2·6H2O crystallization region, LiBr·2H2O crystallization region, KBr·MgBr2·6H2O crystallization region). When MgBr2·6H2O or KBr is saturated, LiBr has a strong salting-out effect on KBr, NaBr, or MgBr2 and NaBr, while when LiBr·2H2O is saturated, MgBr2 has a salting-out effect on KBr and NaBr. All four saturated projection surfaces have MgBr2·6H2O, and NaBr is generated. These phase equilibrium data can provide a theoretical basis to guide underground brine mining and extract useful components.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Miao Ma,Jidong Wang,Xiaotong Yang,Zhong Zhao
Bifonazole is a derivative of imidazoles with a wide antibacterial spectrum and is widely used for treating various fungi infections. However, in the open literature, the solubility data of bifonazole are rarely reported. Considering the importance of the solubility of bifonazole in its manufacture and applications, the solubility of bifonazole in 8 alcohols and 4 n-alkyl acetates as well as acetonitrile and N, N-dimethylformamide in the temperatures ranging from 283.15 to 323.15 K has been measured with the assistance of a dynamic laser solubility monitoring device in this paper. The measured solubility of bifonazole follows the order of DMF > alcohols > esters > acetonitrile. The relationship between the solubility of bifonazole and temperature was correlated using three semi-empirical and two activity coefficient solubility models. In addition, the thermodynamic mixing properties (ΔmixG, ΔmixH, ΔmixS, γ1∞, and H1E, ∞) of the bifonazole solutions were evaluated in terms of experimental data and Wilson model parameters.
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高影响因子
AICHE JOURNAL
·
2023
·Vol. 69
·期 10
·e18158
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IF 3.7
Han Han,Xue Ye,Jie Yao,Xinhua Gao,Jinghao Yu,Lisheng Guo,Jie Li
The application of heterogeneous catalysts in dimethyl carbonate (DMC) synthesis from methanol is hindered by low activation efficiency of methanol to methoxy intermediates (CH 3 O*), which is the key intermediate for DMC generation. Herein, a catalyst of alkali metal K anchored on the CuO/ZnO oxide is rationally designed for offering Lewis acid–base pairs as dual active centers to improve the activation efficiency of methanol. Characterizations of CO 2 -TPD, NH 3 -TPD, XPS, and DRIFTS revealed that the addition of Lewis base K observably boosted the dissociation of methanol and combined with Lewis acid CuO/ZnO oxide to adsorb the formed CH 3 O* stably, thus synergistically promoted the transesterification. Finally, the CuO/ZnO-9%K 2 O catalyst exhibited the optimal catalytic activity, achieving a high yield of 74.4% with an excellent selectivity of 98.9% for DMC at a low temperature of 90°C. The strategy of constructing Lewis acid–base pairs provides a reference for the design of heterogeneous catalysts.
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JOURNAL OF ELECTROANALYTICAL CHEMISTRY
·
2022
·
IF 4.598
Qijiu Deng,Runrun Wang,Bo Gou,Zhiyun Zhao,Zhaohui Yang,Jilin Li,Yiming Zou,Rong Yang
Organic potassium terephthalate (K 2 TP) shows promising applications as an anode material in potassium-ion (K-ion) batteries with flexible crystal structure, suitable work potential, stable capability in organic electrolyte and environmentally friendly. Nevertheless, the inherent poor electronic conductivity has been the bottleneck to construct high-performance organic K-ion batteries. Herein, we initially report a flexible and conductive carbon coating layer on organic K 2 TP and reduced graphene oxide composite via electrospinning methodology and controlling medium–low temperature heat treatment (denoted as K 2 TP/rGO/C). The as-synthesized K 2 TP/rGO/C composite displays impressive cycle stability with a reversible specific capacity of 86 mAh g −1 at 200 mA g −1 after 500 cycles with an average capacity decay rate of only 0.1 % per cycle. It is demonstrated that the flexible conductive carbon coating layer and the continuous conductive network structure can significantly improve the electronic conductivity of organic K 2 TP, and reduce the interface transfer resistance. The rational construction of organic composite can offer a guideline for high-performance organic K-ion batteries.
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MATERIALS LETTERS
·
2022
·
IF 3.574
Shuimiao Xia,Zhicheng Shi,Liang Sun,Shengbiao Sun,Davoud Dastan,Runhua Fan
High dielectric materials are widely used in electronic devices, but their applications are severely hindered by the high loss and low breakdown strength. Herein, a layered structure is designed to effectively suppress the loss and enhance the breakdown strength of high dielectric materials. In the design, the high dielectric films are stacked with linear dielectric films, which can not only form breakdown barriers between adjacent layers but also reduce the leakage conduction loss. As a result, an obvious suppression of loss from 0.13 to 0.05 at 100 Hz, along with a significant increase of breakdown strength from 138 kV/mm to 413 kV/mm, are successfully achieved.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2022
·
IF 3.119
Lehui Tu,Yunlong Shi,Chunying Zhu,Taotao Fu,Xiqun Gao,Youguang Ma
Densities and viscosities of sugar alcohols (meso-erythritol, xylitol, and d-sorbitol) in glycylglycine–water mixtures were measured at T = (293.15, 303.15, 313.15, 323.15, and 333.15) K under atmospheric pressure. Furthermore, the apparent molar volume, the limiting partial molar volume, the limiting partial molar volume of transfer, the viscosity B coefficient, and the free energies of activation per mole of solvent and solute were obtained through the experimental data. Moreover, the limiting partial molar volume of transfer was analyzed based on the co-sphere overlap model, and the transition-state theory was applied to determine the active free energies. The results indicate that the ion–hydrophilic interaction between the sugar alcohols and glycylglycine molecules occupies a dominant position in the solution, d-sorbitol tends to act as a structural breaker in the glycylglycine–water mixtures, and meso-erythritol and xylitol tend to act as structural makers in the glycylglycine–water mixtures.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Jie Yang,Huan Zhou,Jie Li,Cunbing Xu,Yifan Li,Sifan Wang,Jiangbo Chen
The solid–liquid phase equilibria of the Ba2+//Cl–, S2–, and OH––H2O quaternary system and its three subternary systems at 298.15 K are studied via the isothermal solubility phase equilibrium method. The solubility data, liquid properties of density and pH, and phase diagrams of the ternary and quaternary systems are obtained. Solid species of Ba(OH)2·8H2O, BaCl2·2H2O, Ba(OH)Cl·2H2O, and BaS exist in the quaternary system and corresponding ternary systems at 298.15 K. The four solid species build up two invariant points, one disproportionate and one proportionate, and four phase regions. The largest phase area is covered by Ba(OH)·8H2O, and the lowest water point is the proportionate invariant point saturated by BaCl2·2H2O, Ba(OH)Cl·2H2O, and BaS.
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JOURNAL OF MOLECULAR LIQUIDS
·
2023
·
IF 6
Yingmin Yu,Xinlei Niu,Xiaocheng Zhang,Houchun Yan,Jinshan Wang
In order to remove epichlorohydrin from wastewater, liquid–liquid equilibrium behaviors in the systems {water + epichlorohydrin + solvents (1-hexanol/1-heptanol/2-octanol/1-nonanol)} were determined at 303.2 K under101.3 kPa. The partition coefficients and separation factors in each system were used to compare and discuss the effects of extraction. The σ-profiles were used to discuss the interactions of substances in this work. The experimental data were correlated with the NRTL and UNIQUAC models, to obtain the binary interaction parameters required for each system. The GMcal_TieLinesLL GUI tools were applied to verify the consistency of the binary interaction parameters.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2023
·
IF 2.6
Jingxuan Qiu,Xinzhu Zhao,Gang Liu,Chaoqun Zhang,Libo Wang,Yeming Wang,Shizhe Li,Lei Wang,Cen Yao,Liping Zhao,Peng Wang,Jia Zhang,Jing Lin,Rui Zhang,Yunchun Guo,Huiliang Wang
This present work is the investigation of the solubility for sulfinpyrazone in 13 monosolvents, water, methanol, ethanol, n-propanol, isopropanol, n-butanol, sec-butanol, acetone, acetonitrile, 2-butanone, methyl acetate, ethyl acetate, and n-pentanol, via a static gravimetric method at temperatures ranging from 283.15 to 323.15 K under atmospheric pressure. The solubility magnitudes are in positive correlation with the absolute temperature in each solvent. Within the experimental temperature range, the solubility is the highest in acetonitrile (103.286 × 10–3 at 323.15 K) and lowest in water (0.03597 × 10–3 at 283.15 K). The rough sequences of solubility values in different solvents are methanol > n-pentanol > n-propanol > n-butanol > sec-butanol > ethanol > isopropanol and acetonitrile > acetone > 2-butanone > methyl acetate > ethyl acetate > water in alcohols and nonalcohol solvents, respectively. The results demonstrate that the solubility behaviors of sulfinpyrazone are affected by the combined effects of several factors involving solvent polarity, solvent–solvent intermolecular interactions (quantitatively characterized by cohesive energy density), and molecular structures (molecular sizes and properties of functional groups) of solvents and solutes. Additionally, the Apelblat equation and Yaws equation were employed to correlate the experimental solubility data of sulfinpyrazone in each investigated solvent. The results of average relative deviations and root-mean-square deviations as well as the values of Akaike Information Criterion and Akaike weights reveal that the calculated solubility values by the Apelblat equation are more consistent with the experimental data compared to those by the Yaws equation.
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ChemistrySelect
·
2023
·Vol. 8
·期 45
·e202303724
·
IF 2.1
Ping Chen,Yu Ling,Hongkai Tong,Ke Dong,Xu Liu,Xiao Chen,Changhai Liang
Graphical 4-Methyl-1-pentene as a branched chain α-olefin can be efficiently synthesized via propylene dimerization on the K−Cu SCALMS catalyst that presents an excellent selective C−C linkage, as well as limits the isomerization of products. The urgent need for branched-chain α-olefin (4-methyl-1-pentene) with excellent characteristics promotes the development of efficient catalysts for the selective dimerization of propylene to it. Based on the concept of supported catalytically active liquid metal solutions (SCALMS), the highly efficient K−M/K 2 CO 3 (M=Fe, Co, Ni, Cu, and Zn) catalysts are prepared by the melting method for the dimerization of propylene. The K−Cu SCALMS catalyst presents highly efficient and excellent selective C−C linkage, as well as limits the isomerization of C6 products. The highest conversion of propylene (64.3 %) with 80.6 % selectivity to 4-methyl-1-pentene with thermodynamic instability is reached at 160 °C, 6 MPa and 20 h. Furthermore, the post-reaction K−Cu SCALMS catalyst can be successfully reactivated in the H 2 atmosphere. Therefore, it is proposed that it may be achieved the continuous selective dimerization of propylene to 4-methyl-1-pentene over K−Cu SCALMS catalyst by the application of fluidized bed technology.
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JOURNAL OF CHEMICAL THERMODYNAMICS
·
2023
·
IF 2.6
Pengshuai Zhang,Jixiu Deng,Xiaoyu Jiang,Liang Xu,Yu Huang,Han Sun,Mi Gao,Xianghan Wang,Yulong Gao,Kangning Fan,Lu Zhang,Shuoye Yang
In the present study, solubility of daminozide was determined in twelve neat solvents (N,N-Dimethylformamide (DMF), 2-methoxyethanol, N-Methyl-2-pyrrolidone (NMP), 2-ethoxyethanol, Acetonitrile (MeCN), 2-propoxyethanol, methanol, ethanol, n -propanol, i -propanol, n -pentanol, 2-butoxyethanol) by using the gravimetrical method under the pressure of 0.1 MPa and temperature from 283.15 to 323.15 K. The maximum solubility value (10 2 x 1 ) of daminozide was found in NMP at 323.15 K (10.04), while the minimum solubility value (10 2 x 1 ) of daminozide was found in n -pentanol at 283.15 K (0.0149). At the temperature of 298.15 K, the order of the experimental solubility values (100 x 1 ) of daminozide in twelve neat solvents was: NMP (5.523) > DMF (3.294) > methanol (1.395) > 2-methoxyethanol (0.7839) > ethanol (0.5515) > 2-ethoxyethanol (0.3816) > n -propanol (0.2175) > i -propanol (0.1099) > 2-propoxyethanol (0.1083) > 2-butoxyethanol (0.0632) > MeCN (0.0386) > n -pentanol (0.0344). Five models including van't Hoff model, Buchowski-Ksiazczak λh model, NRTL model, UNIQUAC model and Jouyban model were employed to correlate and analyze the experimental solubility of daminozide. Based on the principle of similar compatibility, the miscibility of daminozide in the selected solvents was discussed with the help of Hansen solubility parameters ( HSPs ). Finally, the apparent thermodynamic properties were investigated and results indicated that the dissolution mechanism of daminozide in all selected solvents was an entropy-driven and endothermic process.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2023
·
IF 8.2
Wenlong Pang,Bin Li,Yufeng Wu,Shaonan Tian,Yu Zhang,Jun Yang
With global enforcement of plastic bans and restrictions, the biodegradable plastic, e.g., polylactic acid (PLA), has been extensively employed as a primary substitute for traditional petroleum-based plastics. However, the growing problem associated with PLA waste accumulation is posing grand environmental challenges. In addition, although PLA has the degrading property under natural conditions, the degradation process takes too long and the degradation products cannot be recycled. In this context, enzymatic degradation of PLA arouses great attention in scientific communities. This study aims at selecting the most cost-effective protease from various enzymes and optimizing the enzymolysis conditions towards the degradation of PLA. We will demonstrate that under an optimal temperature of 45 °C, a pH vale of 11, and an enzyme concentration of 0.6 mg mL −1 , the protease K would achieve a remarkable degradation efficiency (> 99 %) for PLA films within just 50 min. Finally, molecular dynamics (MD) simulation and molecular docking studies reveal the mechanism behind the protease-induced PLA degradation, providing a promising direction for waste treatment and resource utilization for future biodegradable plastics.
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PubMed
高影响因子
危险品化学品经营许可证（带存储）