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JOURNAL OF CHEMICAL THERMODYNAMICS · 2023 · IF 2.6

Volumetric and viscometric properties of monoethanolamine (MEA) + 3-dimethylamino-1-propanol (3DMA1P) + H2O at T = (293.15 to 333.15) K

Mingcheng Li,Xiaojie Liu,Chunying Zhu,Taotao Fu,Xiqun Gao,Youguang Ma

Densities and viscosities were measured for binary solutions MEA (monoethanolamine) + 3DMA1P (3-dimethylamino-1-propanol), 3DMA1P + H 2 O and ternary solutions MEA + 3DMA1P + H 2 O at P  = 0.101 MPa, T  = 293.15 K ∼ 333.15 K. Based on the experimental densities of solutions, the volume properties of the excess molar volume, partial molar volume, apparent molar volume and limiting partial molar volume were calculated. Moreover, the viscosity deviation and viscous flow activation energy were calculated based on the experimental viscosity. Additionally, the intermolecular interactions of the mixed solutions were analyzed and discussed, and the Redlich-Kister equation was used to correlate the excess molar volume and viscosity deviation of the binary solutions.

CAS / MDL: 7223-38-3 142-58-5
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Journal of Energy Chemistry · 2022 · IF 13.599

Ion-exchange-induced Bi and K dual-doping of TiOx in molten salts for high-performance electrochemical nitrogen reduction

Hao Li,Liqun Wang,Nan Li,Jianmin Feng,Feng Hou,Sihui Wang,Ji Liang

Electrocatalytic nitrogen reduction reaction (eNRR) at the ambient conditions is attractive for ammonia (NH 3 ) synthesis due to its energy-efficient and eco-friendly features. However, the extremely strong N≡N triple-bonds in nitrogen molecules and the competitive hydrogen evolution reaction lead to the unsatisfactory NH 3 yield and the Faradaic efficiency (FE) of eNRR, making the development of high-performance catalysts with adequate active sites and high selectivity essential for further development of eNRR. Addressing this, we herein report a Bi and K dual-doped titanium oxide (BTO@KTO) material, which is prepared by a cation exchange reaction between K 2 Ti 4 O 9 and molten BiCl 3 , for high-performance eNRR catalysts. Benefiting from the controllable molten-salt cation exchange process, a highly active surface containing Bi/K sites and rich oxygen vacancies has been obtained on titanium oxide. Under the synergy of these two merits, an efficient eNRR catalysis, with the NH 3 yield rate of 32.02 μg h −1 mg cat. −1 and the FE of 12.71%, has been achieved, much superior to that of pristine K 2 Ti 4 O 9 . This work thus offers a high-performance electrocatalyst for eNRR, and more importantly, a versatile cation-exchange strategy for efficiently manipulating materials' functionalities.

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VACUUM · 2022 · IF 4.11

Quantitative measurement model for sulfate in the temperature range of 298.15–343.15 K based on vacuum ultraviolet absorption spectroscopy

Xinyu Ai,Zhiguo Zhang

In order for SO 3 measurement without impurity gas interference in coal-fired power plants, a quantitative measurement model for sulfate in the temperature range of 298.15–343.15 K based on vacuum ultraviolet absorption spectroscopy was created. A vacuum ultraviolet absorption spectrum measurement system that eliminates oxygen interference was set up, and the vacuum ultraviolet absorption of sulfate was ascertained at 1 atm pressure by means of vacuum combined with nitrogen purging. The law of the vacuum ultraviolet absorption of sulfate with temperature was revealed, that the full width at half maximum ( FWHM ) and peak absorbance ( A max ) both increased linearly with temperature. The quadratic function relationship between the integrated area ( OP ) of the vacuum ultraviolet absorption spectrum of sulfate and temperature was found, and a universal sulfate concentration measurement model was established in the temperature range of 298.15–343.15 K. The average relative calculation error of this model for 0.0025 mol L −1 sulfate was as low as 0.6%, which supports the measurement of trace sulfate.

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ChemNanoMat · 2022 ·Vol. 8 ·期 6 ·e202200047 · IF 3.82

Carbon-coated Vanadium Oxide Nanoflowers with K+ Ions Pre-embedment as a High-rate Cathode for Zinc-Ion Batteries

Min Zhou,Jiajun Ma,Wensheng Yang,Shengshang Lu,Benfu Tao,Liren Qiu,Xinhai Wang,Quan Xie,Yunjun Ruan

Graphical Carbon-coated vanadium oxides with K + ion pre-embedded (KVO-C3) were hydrothermally synthesized by reducing glucose as a carbon source. The improved crystallinity of KVO-C3 facilitates Zn 2+ intercalation/extraction, which delivers a superior specific capacity of 389.2 mAh g −1 at 0.1 A g −1 and retains 83.5% capacity as current density increases 50 times. The KVO-C3 battery shows a high energy density of 209 Wh kg −1 at a power density of 3500 W kg −1 . Recently, aqueous zinc-ion batteries have become a promising candidate for energy storage devices due to their low cost, high capacity, and environmental friendliness. However, the low electrical conductivity and irreversible Zn 2+ intercalation/extraction of cathode materials limit the rate performance and cycling stability of Zn-ion batteries. Herein, carbon-coated V 2 O 5 nanoflowers with K + pre-embedment (KVO-C) were synthesized by hydrothermal and high-temperature annealing methods, showing enhanced electrical conductivity and crystallinity. Assembled with Zn anode and 2 M Zn(CF 3 SO 3 ) 2 electrolyte, the optimized KVO-C3 battery achieves a high specific capacity of 389.2 mAh g −1 at a current density of 0.1 A g −1 and retains 85% even with a 50-fold increase in current density and cycling back to 0.1 A g −1 . KVO-C3 also shows excellent capacity retention of 77% and coulomb efficiency of nearly 100% after 2000 cycles and delivers a high energy density of 209 Wh kg −1 at a power density of 3500 W kg −1 .

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APPLIED SURFACE SCIENCE · 2022 · IF 7.392

MXene-derived TiSe2/TiO2/C heterostructured hexagonal prisms as high rate anodes for Na-ion and K-ion batteries

Fangya Qi,Lianyi Shao,Xiaoyi Lu,Guoping Liu,Xiaoyan Shi,Zhipeng Sun

Establishing heterostructure is an effective strategy to improve the cycling and rate properties of electrode due to high charge transfer kinetics. Nevertheless, it is still a great challenge to prepare a reasonable heterojunction material with appropriate electrochemical property as anode for Na/K ion batteries. In this work, a novel MXene derivative consisted of TiSe 2 /TiO 2 /C heterostructured hexagonal prism has been prepared by a simple solid phase sintering method to converting Ti 3 C 2 T x MXene to TiSe 2 /TiO 2 /C. In this composite, TiSe 2 and TiO 2 with different work functions can induce a built-in electric field in the heterojunction interface, accelerating the electrochemical courses. Serving as an anode material for Na ion batteries , TiSe 2 /TiO 2 /C can keep a discharge capacity of 280 mAh g −1 at 5 A g −1 after 1000 cycles and a superior rate capability with 212 mAh g −1 even at 10 A g −1 . Even using as anode for K ion batteries , TiSe 2 /TiO 2 /C can still retain a capacity of 121 mAh g −1 at 0.1 A g −1 after 800 cycles. This work supplies a simple approach to design metal oxide/selenide heterostructures toward Na/K ion batteries with excellent performance and promotes the application of MXene derivatives in the field of energy storage.

CAS / MDL: 7789-24-4 7782-49-2
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Stable Phase Equilibria in the Quaternary Systems LiBr–NaBr–SrBr2–H2O and LiBr–KBr–SrBr2–H2O at 288.15 K

Xing-Xing Zeng,Shi-Hua Sang,Xiao-Yun Qi,Xiao-Feng Guo,Rui-Zhi Cui

Aiming at the composition of underground brines in the Sichuan Basin of China, stable phase equilibria in quaternary systems LiBr–NaBr–SrBr2–H2O and LiBr–KBr–SrBr2–H2O at 288.15 K are studied using the isothermal dissolution equilibrium method. The solubilities of salts in the quaternary systems listed above are measured, and the corresponding equilibrium solid phases are identified using X-ray powder diffraction. As a result, the corresponding phase diagrams of the two quaternary systems are plotted, respectively. In the two stable phase diagrams, there is no solid solution or complex salt at 288.15 K. For the quaternary system LiBr–NaBr–SrBr2–H2O, there are two invariant points, five univariate curves, and four solid crystallization regions, which are LiBr·2H2O, NaBr, NaBr·2H2O, and SrBr2·6H2O, respectively, of which LiBr·2H2O has the smallest crystallization field, indicating that its solubility is the largest and it is the hardest to be precipitated from the saturated solution. There are one invariant point, three univariate curves, and three solid crystallization fields, corresponding to LiBr·2H2O, KBr, and SrBr2·6H2O in the quaternary system LiBr–KBr–SrBr2–H2O, respectively. The experimental results show that the solubilities of salts KBr, NaBr, and SrBr2 in the saturated solution decrease with the increasing concentration of LiBr, which indicates that LiBr has a strong salting out effect on KBr, NaBr, and SrBr2 in the solution.

CAS / MDL: 7550-35-8 7789-53-9
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Microbiology Spectrum · 2022 · IF 9.043

Identification of the BolA Protein Reveals a Novel Virulence Factor in K. pneumoniae That Contributes to Survival in Host

Feiyang Zhang,Xiangjin Yan,Jiawei Bai,Li Xiang,Manlin Ding,Qin Li,Biying Zhang,Qinghua Liang,Yingshun Zhou

BolA has been characterized as an important transcriptional regulator, which is induced in the stationary phase of growth and is often associated with bacterial virulence. This study was initiated to elucidate the role of the BolA in the virulence of K. pneumoniae. Using a mouse infection model, we revealed bolA mutant strain yielded significantly decreased bacterial loads in the liver, spleen, lung, and kidney, and failed to form liver abscesses. Gene deletion demonstrated that the bolA was required for siderophore production, biofilm formation, and adhesion to human colon cancer epithelial cells HCT116. Quantitative reverse transcriptase PCR (RT-qPCR) indicated that BolA could impact the expression of pulK, pulF, pulE, clpV, vgrG, entE, relA, and spoT genes on a genome-wide scale, which are related to type II secretion system (T2SS), type VI secretion system (T6SS), guanosine tetraphosphate (ppGpp), and siderophore synthesis and contribute to fitness in the host. Furthermore, the metabolome analysis showed that the deletion of the bolA gene led to decreased pools of five metabolites: biotin, spermine, cadaverine, guanosine, and flavin adenine dinucleotide, all of which are involved in pathways related to virulence and stress resistance. Taken together, we provided evidence that BolA was a significant virulence factor in the ability of K. pneumoniae to survive, and this was an important step in progress to an understanding of the pathways underlying bacterial virulence.IMPORTANCE BolA has been characterized as an important transcriptional regulator, which is induced in the stationary phase of growth and affects different pathways directly associated with bacterial virulence. Here, we unraveled the role of BolA in several phenotypes associated with the process of cell morphology, siderophore production, biofilm formation, cell adhesion, tissue colonization, and liver abscess. We also uncovered the importance of BolA for the success of K. pneumoniae infection and provided new clues to the pathogenesis strategies of this organism. This work constitutes a relevant step toward an understanding of the role of BolA protein as a master regulator and virulence factor. Therefore, this study is of great importance for understanding the pathways underlying K. pneumoniae virulence and may contribute to public health care applications.

CAS / MDL: 7705-08-0
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Journal of Materials Chemistry A · 2021 ·Vol. 9 ·期 42 ·24056-24063 · IF 12.732

K+, Ni and carbon co-modification promoted two-electron O2 reduction for photocatalytic H2O2 production by crystalline carbon nitride

Yanfang Chen,Xuemei Yan,Jixiang Xu,Lei Wang

H2O2 has a wide range of uses as an oxidant and is also utilized as a high density and environmentally friendly fuel. In this study, crystalline g-C3N4 was modified with K+, Ni and N-doped carbon by thermal-polymerization of Ni2+-anchored and polyvinyl pyrrolidone-encapsulated melamine-cyanuric acid supramolecules, followed by re-calcination in a KCl–LiCl mixture. The obtained strip-like g-C3N4 nanocrystals exhibited high charge separation efficiency and good light absorption capability. Density-functional theory calculations confirmed that the orbital hybridization of Ni–N atoms enabled the formation of charge-transfer channels, which can capture electrons, achieve enhanced oxygen adsorption and reduction via a two-electron pathway. Under the synergistic effects of K+, Ni and N-doped carbon dopants and crystallinity, the obtained sample exhibited high photocatalytic H2O2 yields of 79.6 μM in O2-saturated pure water, which was 10-fold higher than the yield using pristine g-C3N4. This work provides a novel design for production of highly efficient photocatalysts for H2O2 production.

CAS / MDL: 108-78-1 7791-20-0
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CHEMISTRY-A EUROPEAN JOURNAL · 2021 ·Vol. 27 ·期 35 ·9031-9037 · IF 5.236

The Efficient K Ion Storage of M2P2O7/C (M=Fe, Co, Ni) Anode Derived from Organic-Inorganic Phosphate Precursors

Yibo Zhang,Yuying Zheng,Hongbo Geng,Yang Yang,Minghui Ye,Yufei Zhang,Cheng Chao Li

Graphical Novel structured M 2 P 2 O 7 /C (M=Fe, Co, Ni) nanoflake composites are prepared via an organic-phosphors precursor assisted solvothermal method and a post high temperature annealing process, which could deliver superior potassium storage performance. Metal phosphates have been widely explored in lithium ion batteries and sodium ion batteries owing to high theoretical capacities, mild toxicity and low cost. However, their potassium ion battery applications are less reported due to the limited conductivity and the slow diffusion kinetics. Considering these drawbacks, novel structured M 2 P 2 O 7 /C (M=Fe, Co, Ni) nanoflake composites are prepared through an organic-phosphors precursor-assisted solvothermal method and a subsequent high temperature annealing process. The designed Co 2 P 2 O 7 /C composite exhibits the highest rate capacity with 502 mAh g −1 at 0.1 A g −1 and good cyclability for 900 cycles at 1 A g −1 and 2 A g −1 when compared with Ni and Fe based composites. The superior electrochemical performance can be attributed to their unique nanoparticle-assembled nanoflake structure, which can afford enough active sites for K + intercalation. In addition, the robust pyrophosphate crystal structure and the in situ formed carbon composition also have positive effects on enhancing the long-term cycling performance and the electrode's conductivity. Finally, this organic-phosphors precursor induced simple approach can be applied for easy fabrication of other pyrophosphate/carbon hybrids as advanced electrodes.

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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Solubility measurement and thermodynamic modeling of solid–liquid equilibria in quaternary system NaCl–Na2SO4–NaBO2–H2O at 323.15 K

Lan Yang,Xiuxiu Yang,Dan Li,Liwei Zhuang,Lingzong Meng,Tianlong Deng,Yafei Guo

The solubilities and refractive indices in the systems Na 2 SO 4 –NaBO 2 –H 2 O and NaCl–Na 2 SO 4 –NaBO 2 –H 2 O at 323.15 K were studied by the isothermal dissolution method. The phase diagram of the ternary system is composed of two single-salt crystallizations for Na 2 SO 4 and NaBO 2 ·4H 2 O. A comparison of the diagrams of system Na 2 SO 4 –NaBO 2 –H 2 O from 288.15 K to 323.15 K shows that the crystallization region of NaBO 2 ·4H 2 O changes greatly as the temperature increasing, and the solid phase of mirabilite at 288.15 K and 298.15 K transforms into the nardite at 308.15 K and 323.15 K. The dry-salt diagram of the quaternary system consists of four salt crystallization fields for NaCl , NaBO 2 ·4H 2 O, NaCl·NaBO 2 ·2H 2 O and Na 2 SO 4 , five univariant solubility curves and two invariant points. On the basis of the Pitzer model, the lacking Pitzer parameters and dissolution equilibrium constants of the solid phases in this quaternary system were fitted with the solubilities and other thermodynamic properties in this study and literature. The calculated solubilities in the two systems are in good agreement with the experimental data.

CAS / MDL: 7647-14-5 10555-76-7
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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

Solubility and thermodynamic properties of flonicamid in pure and binary solvents in the temperature range of 283.15–323.15 K

Xiaofang Niu,Han Liu,Su Xue,Jinli Zhang,Wei Li

The solubility data of flonicamid (FA) in twelve mono-solvents (methanol (MA), ethanol (EA), n-propanol (NPA), isopropanol (IPA), n-butanol (NBA), isobutanol (IBA), ethyl acetate (EAC), butyl acetate (BAC), acetone (AT), acetonitrile (AN), tetrahydrofuran (THF), 1,4-dioxane (DX)) and a binary solvent of EA + EAC were experimentally measured by using a gravimetric method under atmospheric pressure. The tested temperature range for the studied solvents was from 283.15 K to 323.15 K except of 288.15–323.15 K for DX. Powder X-ray diffraction (PXRD) was applied to evaluate the crystal form of FA, and no solvate or new form formation were observed during the whole experiment. The experimental results show that the rising temperature leads to the increase of the FA solubility in all the studied mono and mixed solvents at the tested ranges. For mono-solvents, the solubility of FA at 293.15 K increases in the order: IBA (0.002641) < IPA (0.004243) < NPA (0.004361) < NBA (0.004750) < BAC (0.006844) < EA (0.006864) < EAC (0.01342) < MA (0.01394) < DX (0.01747) < AN (0.02455) < THF (0.03433) < AT (0.04645). For EA + EAC mixed solvents, the solubility of FA increases and then decreases with the rising mole fraction of EAC. That means addition of EAC to EA can alter the FA solubility. Density functional theory (DFT) calculations were performed to analyze the interactive energy between FA and the solvent molecules. Furthermore, the Apelblat equation, van’t Hoff equation, λh equation are applied to correlate the experimental solubility data of FA in mono and mixed solvent systems, while NRTL model and Wilson model are selected for mono-solvents, CNIBS/R-K model and Jouyban-Acree model for mixed solvents. Correlated results demonstrate that the Apelblat model provides the best regression. In addition, the dissolution thermodynamic properties of FA in chosen solvents are analyzed by the van’t Hoff equation. It suggests that the dissolution processes of FA are non-spontaneous, endothermic and entropy increase in these studied systems.

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Asia-Pacific Journal of Chemical Engineering · 2020 ·Vol. 16 ·期 2 ·e2595 · IF 1.06

Solid–liquid equilibria in the quaternary system LiBr−NaBr−KBr−H2O and its two ternary subsystems at 288.15 K

Xiao-Yun Qi,Chun-Xia He,Shi-Hua Sang,Jia Liu,Yun-Yun Gao

The solubilities of the LiBr−NaBr−KBr−H 2 O system and its subsystems LiBr−NaBr−H 2 O and LiBr−KBr−H 2 O were investigated at 288.15 K by the isothermal dissolution equilibrium method, and the corresponding phase diagrams were plotted, respectively. In the three systems, neither solid solution nor double salt was found. For the first subsystem LiBr−NaBr−H 2 O, there are two invariant points, three dissolution equilibrium curves, and three crystallization regions, which are LiBr·2H 2 O, NaBr·2H 2 O, and NaBr. An invariant point, two dissolution equilibrium curves, and two crystallization regions, which are LiBr·2H 2 O and KBr, constitute the stable phase diagram of the second subsystem LiBr−KBr−H 2 O. The phase diagram of the quaternary system LiBr−NaBr−KBr−H 2 O consists of two invariant points, five solubility curves, and four regions in which are LiBr·2H 2 O, NaBr, NaBr·2H 2 O, and KBr.

CAS / MDL: 7550-35-8
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