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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Experimental Determination and Thermodynamic Modeling of Solid–Liquid Equilibria in the Quaternary System NaCl–KCl–SrCl2–H2O at 288.15 K

Lingzong Meng,Xia Wang,Dan Li,Tianlong Deng,Yafei Guo,Lan Yang

The solubilities in the quaternary system NaCl–KCl–SrCl2–H2O and its subsystem KCl–SrCl2–H2O at 288.15 K were investigated with the isothermal dissolution method. The phase diagram of the ternary system is composed of two single-salt crystallizations for KCl and SrCl2·6H2O, two solubility univariant curves, and one cosaturated point. The dry-salt diagram of the quaternary system consists of three single-salt crystallization fields for NaCl, KCl, and SrCl2·6H2O, three solubility univariant curves, and one invariant point. By combination of the determined solubilities and Pitzer binary parameters obtained in the literature, the lacking Pitzer mixing parameters θNa,Sr, θK,Sr, ΨNa,Sr,Cl, and ΨK,Sr,Cl and the solubility product constants of the solid salts for the systems were fitted on the basis of the Pitzer model. The model was then used to calculate the solubilties of the two systems. The theoretical results calculated using the model coincide with the experimental values.

研究领域: 化学热力学 · 无机化学
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ACS Applied Electronic Materials · 2022 · IF 4.494

CsBr- and H2O-Enhanced CsPbI2Br for UV–NIR Dual-Mode Photodetector with High Responsivity

Xiaoxian Song,Fuguo Wang,Hongwen Li,Haiting Zhang,Ze Xu,Dongdong Wei,Jingjing Zhang,Zijie Dai,Yunpeng Ren,Yunxia Ye,Xudong Ren,Jianquan Yao

Ultraviolet–visible–near-infrared broad-band PDs have attracted great attention for imaging systems and optical communications. Previous UV–NIR PDs have mainly worked in a single band. UV–NIR dual-modal detectors, which maintain a greater light response through nonlinear light absorbance in the second mode, remain to be explored. Here, a CsPbI2Br dual-mode PD is reported for the first time. The light absorption, phase stability, and chemical stability of CsPbI2Br are enhanced by CsBr and H2O. The device shows (UV–vis)/NIR absorption through one-photon and two-photon absorption. The CsPbI2Br PD has excellent (UV–vis)/NIR dual-mode detection performance under ultraviolet (405 nm), visible (532 nm) and near-infrared (808 nm) illumination, respectively; the device has high responsivities of 160, 36, and 118 A/W, specific detectivities of 4.9 × 1011, 6.3 × 1010, and 2.1 × 1011 jones and response times of 5.5/6.8, 5.3/5.9, and 5.9/6.4 ms, respetively. This work provides a route for UV–NIR dual-mode detection and promotes the applications of these PDs in photoelectric devices for weak light and wide spectrum detection.

CAS / MDL: 67-68-5
研究领域: 材料科学 · 光电技术
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RUSSIAN JOURNAL OF INORGANIC CHEMISTRY · 2023 ·Vol. 67 ·期 1 ·S78 · IF 2.1

Isopiestic Determination and Simulation of Water Activity in the LiCl−KCl−H2O Ternary System at 323.15 K

Han H. J.,Ma J. J.,Xing K. Q.,Shao D. X.,Zhong S. K.

Abstract In this work, the equal-water activities for the ternary system LiCl−KCl−H 2 O and its sub-binary systems LiCl−H 2 O were determined using an isopiestic method at 323.15 K. The determined isopiestic composition lines for the LiCl−KCl−H 2 O system were found to deviated Zdanovskii rule high with increasing ionic strength of the mixture solution. The addition of KCl to an aqueous solution of LiCl was found to decrease and increase the water activity at low and high LiCl molality. The Pitzer–Simonson–Clegg (PSC) model was used to represent the experimental determined water activities of the titled system and the calculated values are discussed. Based on the calculated results, the turning point appears at about 17.0 mol kg −1 LiCl solution.

CAS / MDL: 10043-52-4
研究领域: 化学 · 物理化学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2017 · IF 2.323

Thermodynamics and Phase Equilibrium of the System CsCl–MgCl2–H2O at 298.15 K

Lijiang Guo,Yaxiao Wang,Lanying Tu,Jianqiang Li

Water activities of the CsCl–MgCl2–H2O ternary system and its sub-binary systems were elaborately measured by an isopiestic method at 298.15 K. The solubility of this ternary system at 298.15 K was also measured by two different methods, namely isothermal method and Flow-Cloud-Point method. The solubilities measured by the two different methods were consistent with each other. A Pitzer model was used to represent the thermodynamic properties and calculate the solubility isotherms for the CsCl–MgCl2–H2O ternary system at 298.15 K. Both the equal water activity lines and the solubility isotherms are calculated with parameters reported in literature. It was found that only the calculated equal water activity lines with the parameters reported by Scharge et al. are consistent with the experimental values of this work. However, all the calculated solubility isotherms deviated from the experimental data in this work. New set of ternary parameters were obtained by fitting the water activities and solubility data of this work. Using the new parameters, the calculated equal water activity lines and solubility isotherms agreed with experimental values measured in this work.

研究领域: 物理化学 · 无机化学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2019 · IF 2.29

Thermodynamic phase equilibria in the aqueous ternary system NaCl–NaBO2–H2O: Experimental data and solubility calculation using the Pitzer model

Lan Yang,Dan Li,Tao Zhang,Lingzong Meng,Tianlong Deng,Yafei Guo

Solubilities and refractive indices in the ternary system NaCl–NaBO 2 –H 2 O at 323.15 K were investigated with the dissolution equilibrium method. The phase diagram of this system consists of three single-salt crystallization regions for NaBO 2 ·4H 2 O, NaCl·NaBO 2 ·2H 2 O and NaCl, three univariant solubility curves and two invariant points. A comparison of the diagrams of this system from 288.15 to 323.15 K shows that area of NaBO 2 ·4H 2 O region decreased whereas the areas of NaCl·NaBO 2 ·2H 2 O increased obviously with temperature increasing. The Pitzer binary parameters of NaB(OH) 4 , Pitzer mixing parameters θ Cl - , B OH 4 - and ψ Na + , Cl - , B OH 4 - , and the dissolution equilibrium constants of NaB(OH) 4 ·2H 2 O and NaCl·NaB(OH) 4 were fitted with the solubility data on the basis of Pitzer model. The variation trends for calculated solubility curves are in accordance with the experimental results. The results show that the other boron species except B(OH) 4 − in the solution for the system NaCl–NaB(OH) 4 –H 2 O can’t be neglected. The assumption of only one boron   containing   ionic   species B(OH) 4 − in the solution is not very accurate, but the calculated results with the assumption can still describe the experimental values. The Pitzer parameters and K sp values obtained in this study are capable of solubility calculation for the system containing B(OH) 4 − .

研究领域: 物理化学 · 无机化学
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FUEL · 2025 · IF 7.5

Enhanced La0.875Ce0.125CoO3 catalyst for Hg0 removal from low-temperature flue gas: H2O and SO2 resistance performance and mechanism

Jie Gao,Zijun Ran,Jingyu Ran,Xin Huang,Chuan Ma,Yunlin Shao

The catalysts utilized for low-temperature catalytic oxidation of Hg 0 from flue gas typically suffer from issues related to H 2 O and SO 2 poisoning. This study focused on doping modification of La 0.875 Ce 0.125 CoO 3 perovskite with promoters and conducted a thorough investigation on the H 2 O and SO 2 resistance through characterization and DFT methods. Experimental results demonstrated that the LCeCO/30 wt% ZrO 2 possessed optimal H 2 O and SO 2 resistance. Under high sulfur (1500 ppm SO 2 ) and high humidity (10 % H 2 O(g)) conditions, it maintained approximately 91 % Hg 0 removal efficiency after thermal regeneration cycles. Characterization results indicated that ZrO 2 doping facilitated the formation of three-dimensional macroporous structure and protected active Co 3+ sites on the surface. Based on DFT calculations, the H 2 O poisoning is attributed to competitive adsorption between H 2 O(g) and Hg 0 on the active sites. Also, the SO 2 poisoning occurs due to competitive adsorption of SO 2 and the toxicity of sulfates to the surface active sites. Meanwhile, ZrO 2 doping can lower the adsorption energies of H 2 O(g) and SO 2 by modifying their adsorption configuration, thus weakening the competitive adsorption of H 2 O(g) and SO 2 with Hg 0 . Overall, LCeCO/ZrO 2 is a promising Hg 0 removal catalyst with superior H 2 O and SO 2 resistance.

研究领域: 环境科学 · 材料科学
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ENVIRONMENTAL SCIENCE AND POLLUTION RESEARCH · 2016 ·Vol. 24 ·期 1 ·676-684 · IF 2.76

SO2-tolerant and H2O-promoting Pt/C catalysts for efficient NO removal via fixed-bed H2-SCR

Tu Baosheng,Shi Nian,Sun Wei,Cao Limei,Yang Ji

In this paper, Pt supports on carbon black powder (Vulcan XC-72) were synthesized via a hydrothermal method for selective catalytic reduction (SCR) of NO with H 2 in the presence of 2 vol% O 2 over a wide temperature of 20–300 °C. The results showed that the 3 and 5 wt% Pt/C catalysts resulted in high NO conversion (>90 %) over a temperature range of 120 to 300 °C, and the maximum NO conversion of 98.6 % was achieved over 5 wt% Pt/C at 120 °C. Meanwhile, the influence of SO 2 and H 2 O on the catalyst performance of 3 wt% Pt/C was investigated. The catalysts exhibited good SO 2 poisoning resistance when the SO 2 concentration was lower than 260 ppm. Moreover, a positive effect on NO conversion was detected with the addition of 3 and 5 vol% H 2 O in the feed gas stream. TEM image and good NO conversion performance of the Pt/C catalysts

CAS / MDL: 7440-06-4
研究领域: 催化化学 · 环境科学
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Crystals · 2023 ·Vol. 13 ·期 7 ·1005 · IF 2.7

Surface Groups and Dielectric Properties of Ti3C2Tx MXene Nanosheets after NH3·H2O Solvothermal Treatment under Different Temperatures

Zhiwei Liu,Guanlong Li,Yan Zhao,Xiangbao Chen

The rapid development of electronic technology has brought convenience and efficiency to the lives of modern people, while emphasizing the need for novel materials with designability and excellent dielectric properties at the same time. In this work, Ti3C2TxMXene nanosheets (MNSs) underwent NH3·H2O solvothermal treatment at temperatures of 40 °C, 60 °C, 80 °C, 100 °C, 120 °C, 140 °C, 160 °C, and 180 °C. The changes in the surface groups and dielectric properties after the solvothermal treatment were studied. The solvothermal treatment increased the proportion of surface -OH groups, which was beneficial to the permittivity of the MNSs. However, as the treating temperature increased, the amount of -OH on the surface of the MNSs showed a reducing trend, according to XPS spectra. As the treating temperature rose from 40 °C to 80 °C, the real part of the permittivity of MNS sample showed a significant decrease, eventually remaining approximately stable in the 80 °C to 180 °C samples. The results of electromagnetic characterization were in line with the group proportion, as determined via the XPS O1s spectra, supporting the previous conclusion that the -OH group played an important role in the permittivity.Keywords:NH3·H2O solvothermal;end groups;dielectric property;2D nanosheets

CAS / MDL: 7789-24-4
研究领域: 材料科学 · 纳米技术 · 电子学
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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Surface adsorbed–H2O promoted aerobic oxidation of biomass–derived alcohols on MnOx catalysts

Yurong Zhang,Junpeng Wang,Meiying Niu,Jun Tang,Zhipeng Chen,Chao Wan,Qingping Ke

Manganese oxides (MnO x ) have been emerged as highly active catalysts for the aerobic oxidation of biomass-derived compounds. Herein, a facile urea–redox hydrothermal method was employed to scalable synthesis of MnO x oxides with surface abundant unsaturated Mn and O species. The defective MnO x (MnO x –D) catalyst exhibits remarkable catalytic performance, enabling the room-temperature aerobic oxidation of biomass–derived alcohols with yields exceeding 99%. This represents a substantial 90.8-fold increase in activity compared to commercial MnO 2 . Moreover, MnO x –D catalyst demonstrates broad substrate scopes for various biomass–derived alcohols and displays recyclability for the aerobic oxidative conversion of 5-hydroxymethylfurfural (HMF) over five cycles. Through a comprehensive analysis involving X–ray photoelectron spectroscopy (XPS), in–situ infrared (IR) spectroscopy, and controlled experiments, it is established that the presence of surface–adsorbed H 2 O species on MnO x –D catalyst significantly influences its catalytic performance. Mechanism studies reveal that the aerobic oxidation of biomass–derived R–CH 2 –OH compounds into the corresponding aldehydes can proceed via radical and non–radical pathways. Notably, the catalytic activity of MnO x –D catalyst in both pathways is mediated by the surface adsorbed H 2 O species. In the radical route, surface adsorbed H 2 O and O 2 species are converted into active •OH radical species, while in the non–radical route, surface adsorbed H 2 O can form a complex of HMF––H 2 O species. Both processes enhance the abstraction of H from the O–H and C–H bonds in the R–CH 2 –OH compounds on MnO x –D catalyst. This discovery could potentially guide the development of efficient metal oxidic catalysts for the oxidation of biomass–derived R–CH 2 –OH compounds.

研究领域: 催化化学 · 材料科学 · 环境化学
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JOURNAL OF SOLUTION CHEMISTRY · 2017 ·Vol. 46 ·期 9 ·1767-1777 · IF 1.342

Water Activity and Solubility Measurements and Pitzer Model Simulation of the MgCl2–RbCl–H2O Ternary System at 298.15 K

Guo Lijiang,Wang Yaxiao,Tu Lanying,Li Jianqiang

Water activities for the MgCl 2 –RbCl–H 2 O ternary system and its sub-binary MgCl 2 –H 2 O and RbCl–H 2 O systems at 298.15 K have been measured using the isopiestic method. The measured results for the binary systems agree well with literature data. The measured equal water activity lines for the MgCl 2 –RbCl–H 2 O ternary system deviate from Zdanovskii’s rule. The solubilities for the MgCl 2 –RbCl–H 2 O ternary system also have been measured using a isothermal visual first/last crystal method, and the results are consistent with one reported set of solubility data. Pitzer’s model was selected to correlate the measured water activity and solubility data and the parameters reported in the literature are re-examined by comparing the model-calculated equal water activity lines and solubilities with experimental values measured in this work. New and reasonable parameters are obtained by fitting the water activity and solubility data measured in this work and those reported in the literature. The water activities and solubilities were simulated with the new parameters and the results show that the Pitzer model can successfully represent the thermodynamic properties and be used to calculate the solubility isotherms.

研究领域: 化学热力学 · 物理化学
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JOURNAL OF NANOPARTICLE RESEARCH · 2021 ·Vol. 23 ·期 8 ·1-20 · IF 2.253

High-concentration graphene dispersions prepared via exfoliation of graphite in PVA/H2O green solvent system using high-shear forces

Khanam Zeba,Liu Jianghe,Song Shenhua

Herein, an efficient, facile, scalable production of graphene dispersions via exfoliation of graphite in an environment-friendly PVA/H 2 O solvent system is reported. To warrant the impact of processing parameters on exfoliation efficiency, a systematic investigation is carried out using UV–visible spectroscopy. Under the optimal shearing parameters (1 h, 10 k rpm) with the PVA-to-fed graphite mass ratio of 10, a high concentration graphene dispersion (3.36 mg mL −1 ) is achieved. The estimated graphene yield is found to be 33% that further increases to 90% after sediment recycling. With the aim of detailed quality analysis, centrifugal cascading is adopted to predominately sort the graphene flakes from the upper end of the distribution. Through various characterization techniques, it is confirmed that the resulting dispersion comprises high-quality graphene flakes (1–5 layers) having thickness up to 1.48 nm, lateral dimension ranging from 0.3 to 4 µm, and quite a low level of defects ( I D / I G  = 0.1). The statistical distribution histogram reveals that most flakes are single-layer (41%), including some bi-layer (21%) and tri-layer (28%), while the remaining can be said five or multi-layer graphene. Meanwhile, the efficacy of the PVA/H 2 O solvent system is also demonstrated using ultrasonic exfoliation, providing a high concentration of graphene (1.1 mg mL −1 ) in a relatively short time (8 h). Furthermore, the applicability of the PVA-stabilized graphene dispersion is addressed by fabricating various graphene products such as graphene paper electrodes, graphene composites, and graphene thin films. Impressively, the graphene paper electrode imparts an exceptionally high specific capacitance of 199.63 F g −1 in a potential window range of 0 to 2 V, and hence could be a promising alternative to traditional electrodes in supercapacitors. Conclusively, the exfoliation of graphite in a green polymer–solvent system offers to produce highly concentrated graphene dispersions at a minimal cost that could be widely applicable in different research areas, thus holding the potential for commercial viability.

CAS / MDL: 9002-89-5
研究领域: 材料科学 · 化学工程
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CHEMICAL ENGINEERING JOURNAL · 2019 · IF 8.355

Novel MnaZrbCrcOx catalysts for low temperature NH3-SCR derived from high H2O content flue gas via natural gas combustion

Peipei Zhao,Mingyu Guo,Qingling Liu,Lijun Fan,Jinfeng Han,Caixia Liu,Na Ji,Chunfeng Song,Degang Ma,Zhenguo Li

A series of Mn a Zr b Cr c O x catalysts with different Cr/Mn molar ratios were synthesized via co-precipitation for the selective catalytic reduction of NO x with NH 3 (NH 3 -SCR). It was found that a Mn 5 Zr 2 Cr 2.5 O x catalyst with a Mn:Zr:Cr ratio of 5:2:2.5 exhibited excellent low-temperature activity and the best levels of H 2 O resistance at a high weight hourly space velocity (WHSV) of 54,000 ml/(h·g). NO conversion levels were measured as greater than 87% within a temperature range of 150–250 °C, and catalytic performance levels reached 90% even 50 h after reactions occurred in the presence of 15% H 2 O at 230 °C. The characterization results show that strong interactions occurring between Mn, Zr and Cr oxides and higher quantities of Mn 4+ and Lewis acid sites improved the redox properties and facilitated H 2 O resistance. In situ diffuse reflectance infrared Fourier transform spectra ( in situ DRIFTS) show that coordinated NH 3 on Lewis acid sites and bidentate nitrates play important roles in SCR reactions and that such reactions follow both Langmuir-Hinshelwood (L-H) and Eley-Rideal (E-R) mechanisms. The competitive adsorption of H 2 O and NO may be the main cause of the adverse effects of H 2 O on catalytic performance.

CAS / MDL: 6156-78-1
研究领域: 环境科学 · 催化化学
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