JOURNAL OF CHEMICAL AND ENGINEERING DATA
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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
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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
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Inorganic Chemistry Frontiers
·
2021
·Vol. 8
·期 8
·2061-2067
·
IF 6.569
Shiwei Liu,Bingbing Zhang,Hongping Wu,Hongwei Yu,Zhanggui Hu,Jiyang Wang,Yicheng Wu
Ultraviolet nonlinear optical (UV NLO) crystals are the key and basic materials for solid-state lasers. Phosphates as UV NLO crystals are limited in practical applications due to their weak second-harmonic generation (SHG) response. In this work, two non-centrosymmetric pyro-phosphates of K3SrBi(P2O7)2 and Rb3SrBi(P2O7)2 have been synthesized by a high-temperature solution method. Systematic property measurements show that they both have short UV cut-off edges (∼240 nm) and large SHG responses (4 × KDP for K3SrBi(P2O7)2 and 2.1 × KDP for Rb3SrBi(P2O7)2). Thus, they are both promising UV NLO candidates. In particular, K3SrBi(P2O7)2 shows the strongest SHG response in the family of A3BBi(P2O7)2 (A = K, Rb, B = Sr; A = Rb, Cs, B = Ba, Pb), which is about twice higher than that of isomorphic Rb3SrBi(P2O7)2. The study of the structure–property relationship shows that the synergistic effect of P2O7 dimers and BiO6 polyhedra is the main contribution to their excellent NLO properties. And better orientations of P2O7 dimers and larger distortion of BiO6 units play important roles in enhancing the SHG response of K3SrBi(P2O7)2.
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FOOD CHEMISTRY
·
2021
·
IF 7.514
Umarbek Alimov,Kaiyu Zhao,Jiayin Hu,Yafei Guo,Lingzong Meng,Xiuyun Pan,Tianlong Deng
The purpose of this exploration was to determine the density and volumetric properties of the aqueous solution of Na 2 H 2 P 2 O 7 with the molality varied from 0.08706 to 0.88402 mol·kg −1 measured at temperature intervals of 5 K from 283.15 to 363.15 K at 101.325 kPa using Anton Paar Digital vibrating-tube densimeter. The thermal expansion coefficient ( α ), apparent molar volume ( V Φ ), expansibility ( ϕ E ), and partial molar volume ( V B ) of Na 2 H 2 P 2 O 7 (aq) against temperature and molality have been evaluated from density data. On the basis of Pitzer ion-interaction apparent molar volume theory, the Pitzer single-salt parameters ( β M , X 0 v , β M , X 1 v , β M , X 2 v and C M , X v , MX = Na 2 H 2 P 2 O 7 ), and their correlation coefficients a i of the temperature-dependence formula f ( i , p , T ) = a 1 + a 2 ln( T /298.15) + a 3 ( T − 298.15) + a 4 /(620 – T ) + a 5 /( T − 227) for Na 2 H 2 P 2 O 7 were obtained for the first time. It was revealed that predicted apparent molar volumes agreed well with the experimental values indicating the single salt parameters and the temperature-dependent formula are reliable.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Pei-Huan Jiang,Chun-Xia He,Shi-Hua Sang,Xing-Liu,Lan-Rong Zhao
The solid–liquid equilibria in the ternary system LiBr–SrBr2–H2O at 273.15, 308.15, and 323.15 K were studied by isothermal dissolution equilibrium method in this work. At three different temperatures, the ternary system LiBr–SrBr2–H2O belongs to hydrate type I saturation. The phase diagram at 273.15 K includes one cosaturation point, two univariant curves, and two crystallization zones corresponding to LiBr·2H2O and SrBr2·6H2O. The other two phase diagrams contain two cosaturation points, three univariant curves, and three crystallization fields corresponding to LiBr·2H2O, SrBr2·2H2O, and SrBr2·6H2O at 308.15 K and LiBr·H2O, SrBr2·2H2O, and SrBr2·6H2O at 323.15 K, respectively. Lithium bromide has an obvious salting-out effect on strontium bromide. The crystallization area of lithium bromide hydrate is the smallest, and lithium bromide is difficult to crystallize out of the solution at different temperatures.
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JOURNAL OF CHEMICAL AND ENGINEERING DATA
·
2020
·
IF 2.369
Huimin Liu,Shui Wang,Chao Qu,Manman Li,Yixin Qu
In this paper, the solubility of chlorpropamide (CPA) in 14 solvents including 8 alcohols (ethanol, n-propanol, isopropanol, n-butanol, 2-butanol, iso-butanol, n-pentanol, and isopentanol) and 6 acetate esters (ethyl acetate, propyl acetate, isopropyl acetate, butyl acetate, amyl acetate, and methyl propionate) at temperatures of 283.15 to 323.15 K and atmospheric pressure was determined using a laser method. The solubility as a function of temperature was regressed using modified Apelblat, Van’t Hoff, λh, Wilson, and nonrandom two-liquid (NRTL) models. On the basis of the experimental and the simulation results, the mixing properties of the solutions, that is, mixing Gibbs energy, enthalpy, and entropy, were estimated.
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COMPOSITES PART B-ENGINEERING
·
2020
·
IF 7.635
Zhi-Hui Jiang,Wen-Dong Li,Xiong Yang,Xi Chen,Chao Wang,Ming-Yu Chen,Guan-Jun Zhang
High- k , UV curable polymer composites with low dielectric loss and high breakdown strength were prepared. Fluorosilane coupling agent (FAS-17) was adopted to modify the surface of BaTiO 3 (BT) nanoparticles . Characterization results of UV-cured composites filled with BT@FAS-17 particles indicate that the dielectric loss is dramatically decreased and the breakdown strength is significantly improved, especially for the highly-loaded composites. The underlying mechanism of these performance improvements is further studied by temperature-dependent dielectric spectra, thermally stimulated depolarization current experiments as well as the first-principle simulation, which suggest that H-bonding and additional interfacial traps introduced by FAS-17 account for the enhanced dielectric properties . This work proposes a facile and efficient technique for the fabrication of photosensitive high- k composites with low dielectric loss and high breakdown strength, which is suitable for a variety of advanced applications such as energy storage, functionally graded dielectric materials and 3D-printing fabrication of dielectrics.
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