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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2022 · IF 3.119

Solubility Isotherm Determination of the H3BO3 + RbCl + H2O and H3BO3 + NH4Cl + H2O Systems at T = 273.15, 298.15, 323.15, 348.15, and 363.15 K and Thermodynamic Modeling

Ziyu Zhuang,Dongdong Li,Jinshun Lei,Dandan Gao,Dewen Zeng

Highly concentrated boron is widespread in salt lake brine and nuclear wastewater. Treatment of these aqueous solutions involves the solubility of extensive boron-containing minerals. Recently, we concentrated on the temperature-dependent solubility of the H3BO3 + salt + water system. Here, we systematically determined the ternary solubility isotherms in the H3BO3 + RbCl + H2O and H3BO3 + NH4Cl + H2O systems at T = (273.15, 298.15, 323.15, 348.15 and 363.15) K, using an isothermal equilibrium method. The results showed that both ternary systems belonged to a simple eutectic case. The solubility isotherms consisted of the solubility branches of H3BO3(cr) and RbCl(cr) or NH4Cl(cr). Using a revised Pitzer–Simonson–Clegg (rPSC) model implemented in the ISLEC software, these ternary solubility data were represented by fitting the interaction parameters between H3BO3 and RbCl and H3BO3 and NH4Cl. With the help of these models, polythermal phase diagrams of the two ternary systems are predicted.

CAS / MDL: 12125-02-9 7791-11-9
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SCIENCE OF THE TOTAL ENVIRONMENT · 2022 · IF 10.753

Visible-light-driven photocatalytic degradation of dye and antibiotics by activated biochar composited with K+ doped g-C3N4: Effects, mechanisms, actual wastewater treatment and disinfection

Tongtong Wang,Jiyong Zheng,Jinjun Cai,Qiangqiang Liu,Xianxia Zhang

To improve the performance of graphitic carbon nitride (g-C 3 N 4 ), a hotly researched metal-free photocatalyst, for better application in the efficient removal of organic pollutants, adsorption synergistically enhanced photocatalysis mechanism was thoroughly explored. Based on KOH pore-forming activated biochar (ACB) and K + doped g-C 3 N 4 (K-gC 3 N 4 ), the novel activated biochar-based K-gC 3 N 4 composite (ACB-K-gC 3 N 4 ) was synthesized via the innovative ultrasonic-milling method. Rhodamine B (RhB), tetracycline (TC), norfloxacin (NOR), and chloramphenicol (CAP) were selected as target pollutants, and the effects of environmental factors, recycling and actual wastewater tests, disinfection effects, and various enhancement strategies were investigated. The results showed that K-gC 3 N 4 was successfully composited with ACB by various characterizations, where the loading mass ratio of 1:2 exhibited the best performance. ACB-K-gC 3 N 4 possessed a larger specific surface area, richer functional groups, suitable band gap (2.29 eV), and broader visible light absorption (~716 nm) than K-gC 3 N 4 . ACB-K-gC 3 N 4 presented effective removal efficiency over K-gC 3 N 4 for four pollutants, in which the removal efficiency of RhB reached 93.26%, and the degradation rate constant of 0.0119 min −1 was four times higher than K-gC 3 N 4 (0.0029 min −1 ). Moreover, ACB-K-gC 3 N 4 was superior to K-gC 3 N 4 in disinfecting S. aureus and E. coli , with a sterilization rate of exceeding 90% for 12 h. The photodegradation activity was dominated by · O 2 − , h + , and · OH, and the mechanisms involved in the three stages. This was attributed to the unique structure and surface properties (defects and persistent free radicals) of ACB, as evidenced by improved adsorption stage and transfer of degradation intermediates, facilitated the generation of active species, accelerated migration of photogenerated electrons, and inhibited photogenerated carriers recombination by the heterojunction . The good reusability and stability, enhancement strategies (blowing air and heating), and satisfactory feasibility for actual wastewater allow ACB-K-gC 3 N 4 possible to promote high-concentration wastewater treatment and disinfection.

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Energy Storage Materials · 2021 · IF 17.789

Diffusion-driven fabrication of yolk-shell structured K-birnessite@mesoporous carbon nanospheres with rich oxygen vacancies for high-energy and high-power zinc-ion batteries

Xian-Zhi Zhai,Jin Qu,Juan Wang,Wei Chang,Hong-Jun Liu,Yu-Hao Liu,Hongfu Yuan,Xiaofeng Li,Zhong-Zhen Yu

ABSTRACT Structural unsteadiness and limited electrochemical kinetics upon cycling seriously impede further applications of birnessite cathodes for rechargeable aqueous zinc‑ion batteries (ZIBs), even though they have high voltage platforms and distinctively layered structures for preferable (de)intercalation of zinc ions. Herein, yolk-shell structured K-birnessite (K 0.48 Mn 2 O 4 ·0.49H 2 O)@mesoporous carbon nanospheres (KMOH@C) with rich oxygen vacancies are synthesized for the first time with a two-step diffusion-driven strategy of hydrothermal synthesis followed by etching with KOH. The transport of reaction ions is regulated by surface charge and pore structure of the carbon shells, thus K-birnessite is preciously transferred into the hollow mesoporous carbon (HMC) nanospheres. Furthermore, the etching effect of KOH and the confinement effect of HMC nanospheres generate intercalated K + and abundant oxygen vacancies into KMOH, leading to an excellent electrochemical kinetics. Meanwhile, HMC nanospheres also endow rapid electron/ion transport and stabilize the crystal structure of K-birnessite. Therefore, KMOH@C exhibits superior electrochemical performances with high reversible capacities of 412.7 and 122.2 mA h g ‒1 at 0.5 and 10.0 A g ‒1 than reported cathodes, respectively. Moreover, an exceptional cyclability of 129.6 mA h g ‒1 even after 6000 cycles at 3.0 A g ‒1 is achieved, making the KMOH@C cathode highly competitive for eco-friendly aqueous ZIBs.

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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Phase equilibrium systems of CsX + MnX2 + H2O (X = Cl, Br) at 298.15 K and standard molar enthalpy of formation of CsMnX3·2H2O and Cs2MnX4·2H2O

Qi-Chao Yang,Dong-Fang Qiu,Yuan-Lin Dang,Zhan-Ping Qiao,Zhi-wei Xu

Two equilibrium diagrams of the ternary system (CsX + MnX 2  + H 2 O, X = Cl, Br) at 298.15 K are reported in this paper. Each system has two double salts (CsMnX 3 ·2H 2 O and Cs 2 MnX 4 ·2H 2 O X = Cl, Br) in it and the elements of all double salts in phase diagrams are confirmed by Schreinemaker method. Equilibrium phase diagrams show that the chloride double salts are congruently soluble compounds in water, however that the bromide double salts are incongruently soluble compounds in water. All the double salts are characterized by titrimetric analysis, powder X-ray diffraction, thermogravimetric and differential thermalanalysis. The enthalpies of formation of these double salts are first calculated by measuring their enthalpies of dissolution.

CAS / MDL: 13446-34-9
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ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE · 2020 ·Vol. 646 ·期 20 ·1688-1695 · IF 1.24

Synthesis, Crystal Structures, Spectroscopic Characterization, and Thermal Analyses of the New Bismuth Sulfates NaBi(SO4)2·H2O and ABi(SO4)2 (A = K, Rb, Cs)

Shuangsheng Cheng,YuanDong Wu,Dajiang Mei,Shaoguo Wen,Thomas Doert

Four alkali metal bismuth sulfates, NaBi(SO 4 ) 2 · H 2 O ( 1 ) and ABi(SO 4 ) 2 [A = K ( 2 ), Rb ( 3 ), Cs ( 4 )], were successfully synthesized by hydrothermal methods. The crystal structure of 1 features a three-dimensional tunnel framework constructed by BiO 9 tri-capped trigonal prisms and SO 4 tetrahedra interconnected via common corners and edges. Compound 2 exhibits a two-dimensional 2 ∞ [Bi(SO 4 ) 2 ] – double-layered structure, assembled by one-dimensional 1 ∞ [BiS(1)O 4 ] + chains which are linked via S(2)O 4 2– tetrahedra. The isostructural compounds 3 and 4 possess a two-dimensional layered structure, and the layers being composed by BiO 8 square antiprism and SO 4 tetrahedra. The alkali metal cations are located between the layers or in the tunnels of the structures, respectively. The differences in the crystal structures of the title compounds can mainly be attributed to the different sizes of the alkali metal cations and their different coordination environments. Thermogravimetric analysis evidence that compound 1 losses one equivalent of water at 120 °C whereas the anhydrous compounds 2 – 4 are stable up to about 450, 575, and 578 °C, respectively. The solid-state UV/Vis/NIR diffuse reflectance spectra indicate bandgaps of approximately 4.48, 4.43, 3.98, and 3.96 eV for compounds 1 – 4 , respectively.

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Journal of Materials Chemistry C · 2020 ·Vol. 9 ·期 3 ·1051-1061 · IF 7.059

Interfacial fluorine migration-induced low leakage conduction in PVA based high-k composites with V2C MXene-SWCNT switchboard-like ceramic via ab initio MD simulations

Qihuang Deng,Binghe Chen,Maolin Bo,Yefeng Feng,Yuehao Huang,Junquan Zhou

A high dielectric constant and electric breakdown strength are desired in high-energy-density polymer/ceramic composites. Ultrahigh interface leakage conduction between polymer and carbon nanotubes (CNTs) hinders the development of CNT-filled composite dielectrics. In this work, composite dielectrics bearing V2C MXene-CNT hybrid-particles were fabricated. Environment-friendly polyvinyl alcohol (PVA) was employed as the matrix. Interface polarization between PVA and ceramics improved the dielectric constant of composites. A switchboard micro-structure was obtained in the hybrid-ceramic consisting of layered V2C and thread-like single-walled carbon nanotubes (SWCNTs). This micro-structure led to adsorption-migration of fluorine from V2C to CNTs, triggering Coulomb-blockade zones at CNT surfaces supported by first-principles molecular-dynamics calculations. Interface leakage conduction between CNTs and PVA was depressed by quick-slow-quick (QSQ) electron transmission of CNTs. Compared to PVA/CNT composites, PVA/V2C–CNT composites exhibited a favorable high dielectric constant, strongly depressed low dielectric loss and conductivity, and elevated high breakdown strength. The ternary composite with 5 wt% hybrid-ceramic showed a dielectric constant of ∼232 (122 times that of PVA) and a dielectric loss of ∼0.2 (1.4 times that of PVA) at 100 Hz, as well as a breakdown strength of ∼35 MV m−1 (60% of that of PVA). A balance of high dielectric constant and breakdown strength was achieved in the ternary system. This work might enable large-scale preparation of high-performance composite dielectrics.

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JOURNAL OF APPLIED MICROBIOLOGY · 2020 ·Vol. 129 ·期 5 ·1410-1418 · IF 3.066

Screening and identification of Monascus strains with high‐yield monacolin K and undetectable citrinin by integration of HPLC analysis and pksCT and ctnA genes amplification

Li Z.,Liu Y.,Li Y.,Lin F.,Wu L.

AimsRed yeast rice (RYR), produced by inoculating Monascus strains to steamed rice, contains many kinds of physiologically bioactive compounds, among which monacolin K can be used as an antihypercholesterolaemic agent. However, RYR can be polluted by the mycotoxin citrinin, which has nephrotoxic and hepatotoxic activities. To avoid the risk of citrinin contamination in Monascus fermented products, it is important to screen for Monascus strains that produce no or low citrinin.Methods and ResultsFive autochthonous Monascus strains with high‐yield monacolin K and undetectable citrinin were obtained using high‐performance liquid chromatography (HPLC). All five strains were identified as Monascus ruber based on Genealogical Concordance Phylogenetic Species Recognition criteria. Polymerase chain reaction revealed that citrinin polyketide synthase (pksCT) gene was found in these strains, but transcriptional regulator (ctnA) was not found.ConclusionsFive strains are potential strains for producing high‐quality RYR. The distribution of the pksCT gene was not restricted to Monascus purpureus and Monascus sanguineus, and M. ruber strains were diverse in pksCT and ctnA genes.Significance and Impact of the StudyThe integration of citrinin HPLC analysis and pksCT and ctnA genes amplification could provide a complementary approach in valuable Monascus strains screening.

CAS / MDL: 518-75-2
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Densities and Viscosities for the Ternary System of Isopropylcyclohexane (1) + n-Tridecane (2) + n-Butanol (3) and Corresponding Binaries at T = 293.15 to 333.15 K

Quan Lei,Yitong Dai,Panxi Wu,Wenjun Fang,Yongsheng Guo

It has been proven that alcohols can regulate the performance of aviation fuels. In this work, the densities (ρ) and viscosities (η) for the ternary system of isopropylcyclohexane (1) + n-tridecane (2) + n-butanol (3) and the corresponding binary systems have been measured to understand the physical properties of endothermic hydrocarbon fuel with alcohol over the whole composition range at temperatures from 293.15 to 333.15 K under atmospheric pressure (p = 0.1 MPa). The Redlich–Kister equation has been used to fit the excess molar volumes (VmE) and viscosity deviations (Δη) of binary systems, while four semiempirical equations (Singh, Cibulka, Nagata–Tamura, and Redlich–Kister) have been applied to correlate VmE and Δη of the ternary system. For all binary systems, the values of VmE are positive. The values of Δη for binary systems containing n-butanol are all negative. For the ternary system, the values of VmE are all positive and the values of Δη are all negative over the entire concentration range. All results have been interpreted with the perspective of intermolecular interaction and structural effect.

CAS / MDL: 71-36-3 629-50-5
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JOURNAL OF SOLUTION CHEMISTRY · 2020 ·Vol. 49 ·期 7 ·1068-1081 · IF 1.273

Solubility Measurements and Thermodynamic Properties of Sorbic Acid in Binary Solvent Mixtures of (Ethanol, 1-Propanol or 2-Propanol + Water) from 283.15 to 323.15 K

Zhang Bei,Wu Di,Zhu Huaxiang,Fang Jing,Zhou Lina,Hou Baohong,Chen Wei

The solubility data of sorbic acid in binary systems of (ethanol + water), (1-propanol + water) and (2-propanol + water) were measured from 283.15 to 323.15 K using the static equilibrium method under atmospheric pressure. It was found that the solubility of sorbic acid in the three binary solvent systems increased with increasing temperature as well as increasing initial mole fraction of organic solvent in these systems. The van’t Hoff–Jouyban–Acree model, the modified Apelblat–Jouyban–Acree model and the CNIBS/R-K model were proposed for correlating the experimental solubility values in various solution systems. Furthermore, the dissolution thermodynamic properties of Gibbs energy change (Δ sol G o ), molar enthalpy change (Δ sol H o ) and molar entropy change (Δ sol S o ) were calculated from the experimental solubility data, using the van’t Hoff equation. The positive values of Δ sol G o , Δ sol H o and Δ sol S o indicate that these dissolution processes of sorbic acid in the solvents studied were all endothermic and entropically favorable. In addition, the change of dissolution enthalpy was the main contributor to the positive value of the molar Gibbs energy of the dissolution process. The experimental solubility and the models used in this work would be conducive to purifying sorbic acid from its crude mixtures.

CAS / MDL: 110-44-1
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2020 · IF 2.888

Isopiestic measurements and thermodynamic model for the ternary system {Li2B4O5(OH)4) + LiB5O6(OH)4 + H2O} and its subsystem at 288.15 K and ambient pressure

Kaiyu Zhao,Kangrui Sun,Yafei Guo,Lingzong Meng,Tianlong Deng

The isopiestic equilibria for the systems {Li 2 B 4 O 5 (OH) 4  + H 2 O}, {LiB 5 O 6 (OH) 4  + H 2 O} and {Li 2 B 4 O 5 (OH) 4  + LiB 5 O 6 (OH) 4  + H 2 O} at 288.15 K and ambient pressure were measured by the isopiestic method using a modified gravimetric isopiestic apparatus. The water activities and osmotic coefficients were determined based on the sodium chloride standard reference solution. On the basis of Pitzer model, an extended Pitzer model was developed to describe the thermodynamic properties of the aqueous systems containing different forms of lithium borates, then the Pitzer single salt parameters β (0) , β (1) , β (2) and C ϕ for the binary systems {Li 2 B 4 O 5 (OH) 4  + H 2 O} and {(LiB 5 O 6 (OH) 4  + H 2 O} and mixing ion-interaction parameters θ B 4 O 5 OH 4 , B 5 O 6 OH 4 and ψ Li , B 4 O 5 OH 4 , B 5 O 6 OH 4 for the ternary system {Li 2 B 4 O 5 (OH) 4  + LiB 5 O 6 (OH) 4  + H 2 O} were fitted with the experimental osmotic coefficients using the Fortran 97 program. Meanwhile, the water activities were calculated by the Pitzer parameters, and the good agreement between the calculated water activities and experimental results of this ternary system indicated that the Pitzer parameters obtained in this work were reliable.

CAS / MDL: 7647-14-5
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CHEMICAL ENGINEERING JOURNAL · 2020 · IF 10.652

Efficient degradation of antibiotics in different water matrices through the photocatalysis of inverse opal K-g-C3N4: Insights into mechanism and assessment of antibacterial activity

Juying Lei,Bin Chen,Liang Zhou,Ningkai Ding,Zhengqing Cai,Lingzhi Wang,Su-Il In,Changzheng Cui,Yanbo Zhou,Yongdi Liu,Jinlong Zhang

The efficient degradation of fluoroquinolone antibiotics and the reduction of their antimicrobial activity were achieved in different water matrices through the photocatalysis of inverse opal potassium-doped carbon nitride (IO K-CN). The IO K-CN photocatalyst with optimum doping ratio of potassium performed much better than bulk carbon nitride and pure inverse opal carbon nitride for removing fluoroquinolone antibiotics, such as levofloxacin (LVX) and norfloxacin (NOR). The remarkably narrowed band gap resulting from potassium doping and the unique properties of the inverse opal construction jointly contributed to enhancing the activity of the photocatalyst. A possible mechanism and degradation pathway for LVX was proposed on the basis of a series of characterizations including electron spin resonance (ESR) experiments, and liquid chromatography-mass spectrometry (LC-MS) analysis. Meanwhile, the byproducts during the LVX photocatalytic degradation were shown to have much lower sterilization effect, implying that the toxicity and the potential risk of LVX were excellently reduced. The potential application for the treatment of antibiotic-containing wastewater was indicated by the excellent treatment efficiency and favorable durability of this photocatalyst.

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FLUID PHASE EQUILIBRIA · 2019 · IF 2.514

Experimental determination and modeling of liquid-liquid equilibrium for water + diethoxymethane + methyl tert-butyl ether (or methyl isobutyl ketone) at 298.15, 308.15, and 318.15 K

Qingsong Li,Wenyang Fan,Houchun Yan,Xin Huang,Lili Zhang,Zhanhua Ma

The liquid-liquid equilibrium (LLE) data of ternary systems water + diethoxymethane (DEM) + Methyl tert-butyl ether (MTBE) and water + DEM +  Methyl isobutyl ketone (MIBK) were determined experimentally at 298.15, 308.15, and 318.15 K under the atmospheric pressure condition. The solvents' extraction capacity was assessed by the solute distribution coefficient and selectivity. Othmer-Tobias and Hand equations were utilized to validate the accuracy and reliability of the measured data, which the linear correlation (R 2 ) ≥ 0.99. Experimental LLE data was correlated utilizing the NRTL and UNIQUAC thermodynamic models with all of the RMSD values below 0.002 meaning that each ternary system satisfactory agreement at temperatures studied. Also, the reliability of binary interaction parameters was validated by the topological analysis based on the Gibbs tangent plane test using a graphical user interface.

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