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JOURNAL OF CHEMICAL THERMODYNAMICS · 2019 · IF 2.29

Phase equilibria in Mg(NO3)2–Ln(NO3)3 (Ln = Nd, Sm, Eu, Tb)–HNO3 (∼20%)–H2O systems at 298.15 K and thermodynamic properties of Mg3Ln2(NO3)12·24H2O (Ln = Nd, Sm)

Zhan-Ping Qiao,Meng-Yao Su,Yuan-Lin Dang,Qi-Chao Yang

The phase diagrams of the Mg(NO 3 ) 2 –Ln(NO 3 ) 3 (Ln = Nd, Sm, Eu, Tb)–HNO 3 –H 2 O systems in the (∼20%) HNO 3 regions at T  = 298.15 K were determined by using an isothermal solution saturation method. The Schreinemaker’s wet residues method was used to determine the compositions of solid-phases. Both Mg(NO 3 ) 2 –Nd(NO 3 ) 3 –HNO 3 –H 2 O and Mg(NO 3 ) 2 –Sm(NO 3 ) 3 –HNO 3 –H 2 O systems are complicated with three equilibrium solid phases Mg(NO 3 ) 2 ·6H 2 O, Mg 3 Ln 2 (NO 3 ) 12 ·24H 2 O and Ln(NO 3 ) 3 ·6H 2 O (Ln = Nd, Sm). But the systems Mg(NO 3 ) 2 –Eu(NO 3 ) 3 –HNO 3 –H 2 O and Mg(NO 3 ) 2 –Tb(NO 3 ) 3 Tb–HNO 3 –H 2 O are simple eutonic type. The two new solid-phase compounds Mg 3 Nd 2 (NO 3 ) 12 ·24H 2 O and Mg 3 Sm 2 (NO 3 ) 12 ·24H 2 O are congruently soluble in an average medium of ∼20 mass % HNO 3 , and they were identified and characterized by the methods of powder X-ray diffraction, X–ray diffraction single crystal structure analysis, and thermogravimetric/differential thermogravimetric. The XRD diffraction patterns for the two new solid-phase compounds are identical due to their isomorphic structure. They belong to hexagonal systems, with space group R 3 . For Mg 3 Nd 2 (NO 3 ) 12 ·24H 2 O, a  =  b  = (1.0993 ± 0.0005) nm, c  = (1.7211 ± 0.0007) nm, V  = (1.8012 ± 0.0013) nm 3 , D c  = (4.2532 ± 0.0024) g·cm −3 , Z  = 3; for Mg 3 Sm 2 (NO 3 ) 12 ·24H 2 O, ( a  =  b  = 1.1198 ± 0.0004) nm, c  = (1.7257 ± 0.0006) nm, V  = (1.8742 ± 0.0011) nm 3 , D c  = (4.1201 ± 0.0012) g cm −3 , Z  = 3. The standard molar enthalpies of solution of the compounds Mg 3 Nd 2 (NO 3 ) 12 ·24H 2 O and Mg 3 Sm 2 (NO 3 ) 12 ·24H 2 O in water (aq) were measured to be (101.26 ± 0.77) kJ mol −1 and (80.27 ± 0.81) kJ mol −1 , and their standard molar enthalpies of formation were calculated to be – (12214.13 ± 2.5) kJ mol −1 and – (12183.6 ± 2.5) kJ mol −1 , respectively.

研究领域: 化学 · 物理化学 · 材料科学
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Journal of Energy Chemistry · 2024 · IF 14

Sustainable nitrogen fixation by bubble discharge plasma: Performance optimization and mechanism

Yuankun Ye,Xiaoyang Wei,Li Zhang,Sen Wang,Zhi Fang

Sustainable nitrogen fixation driven by renewable energy sources under mild conditions has been widely sought to replace the industrial Haber-Bosch process. The fixation of nitrogen in the form of NO x − and NH 4 + into aqueous solutions using electricity-driven gas–liquid discharge plasma is considered a promising prescription. In this paper, a scalable bubble discharge excited by nanosecond pulse power is employed for nitrogen fixation in the liquid phase. The nitrogen fixation performance and the mechanisms are analyzed by varying the power supply parameters, working gas flow rate and composition. The results show that an increase in voltage and frequency can result in an enhanced NO 3 − yield. Increases in the gas flow rate can result in inadequate activation of the working gas, which together with more inefficient mass transfer efficiencies can reduce the yield. The addition of O 2 effectively elevates NO 3 − production while simultaneously inhibiting NH 4 + production. The addition of H 2 O vapor increases the production of OH and H, thereby promoting the generation of reactive nitrogen and enhancing the yield of nitrogen fixation. However, the excessive addition of O 2 and H 2 O vapor results in negative effect on the yield of nitrogen fixation, due to the significant weakening of the discharge intensity. The optimal nitrogen fixation yield was up to 16.5 μmol/min, while the optimal energy consumption was approximately 21.3 MJ/mol in this study. Finally, the mechanism related to nitrogen fixation is discussed through the optical emission spectral (OES) information in conjunction with the simulation of energy loss paths in the plasma by BOLSIG + . The work advances knowledge of the effect of parameter variations on nitrogen fixation by gas–liquid discharge for higher yield and energy production.

CAS / MDL: 7664-38-2
研究领域: 环境科学 · 化学工程
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Phase Diagram of the Al(NO3)3–Fe(NO3)3–H2O(−HNO3) System and Its Application in the Separation of Al3+ and Fe3+

Shuyang Shi,Baozhong Ma,Shuang Shao,Yongqiang Chen,Chengyan Wang

An original technology named HNO3 pressure leaching has been proposed by our team to leach Al from coal gangue and fly ash. Although the preliminary separation of Al and Fe had been achieved during leaching, a small amount of Fe impurity was still unavoidably dissolved into the leach liquor. To obtain pure Al2O3 during subsequent pyrolysis, it is imperative to synchronously remove Fe3+ during the crystallization of Al(NO3)3·9H2O. Herein, the phase equilibria of the Al(NO3)3–Fe(NO3)3–H2O(−HNO3) system at 25–40 °C and 0–8.12 mol kg–1 of HNO3 molality were investigated. The results indicated that the ternary system was a simple cosaturated type consisting of an immutable point, two univariate curves, and two crystallization regions. Notably, the solubility and crystallization region of Al(NO3)3·9H2O were barely impacted by acidity, while the opposite was true for Fe(NO3)3·9H2O. This finding was instructive for the crystallization of Fe(NO3)3·9H2O from the liquor with high Fe and low Al. Moreover, a high crystallization yield could be obtained at low temperatures. Finally, an appropriate crystallization procedure was provided. This study is expected to provide basic data and theoretical support for the crystallization and separation of mixed nitrates containing Al and Fe.

CAS / MDL: 7784-27-2 7782-61-8
研究领域: 化学工程 · 材料科学
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JOURNAL OF RADIOANALYTICAL AND NUCLEAR CHEMISTRY · 2021 ·Vol. 331 ·期 1 ·365-373 · IF 1.371

An experimental study on the extraction mechanisms of Ce(IV) from HNO3 solutions using C4mimNTf2 as extractant

Li Chunhui,He Hui,He Mingjian,Gao Yang,Zhang Meng,Jiao Caishan

A detailed extraction equilibrium study is experimentally performed to understand the extraction mechanisms of Ce(IV) by 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (C 4 mimNTf 2 ) in 1,2-dichloroethane. Further, the influence of adding TBP on the distribution ratio is investigated and demonstrated. The ceric aqueous chemistry in the nitric acid solution and slope analysis are combined to reveal the extraction mechanism. The monovalent anionic complex HCe(NO 3 ) 6 − is the dominant species, which extracted by C 4 mimNTf 2 . Importantly, this study demonstrates the antagonistic effect between TBP and C 4 mimNTf 2 on the extraction process.

CAS / MDL: 1310-73-2
研究领域: 化学 · 材料科学 · 环境科学
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CORROSION SCIENCE · 2023 · IF 8.3

High-throughput assessment of corrosion inhibitor mixtures on carbon steel via droplet microarray

Chenhao Ren,Lingwei Ma,Xiejing Luo,Chaofang Dong,Taijiang Gui,Bo Wang,Xiaogang Li,Dawei Zhang

A high-throughput screening method for rapid laboratory evaluation of corrosion inhibitors was developed based on microarray consisting of up to 200 droplets of corrosion inhibitor solutions on one carbon steel substrate. The extent of corrosion on the steel under each single droplet was studied by tracking the variation of the 3D morphology of the corrosion product. Using this high-throughput screening platform, we evaluated the corrosion inhibition effect of benzotriazole and Ce(NO 3 ) 3 mixture and identified their best mixing ratio. The enhanced inhibition of the inhibitor mixture was discussed based on the corrosion experimental data and the molecular dynamic simulation.

CAS / MDL: 95-14-7
研究领域: 材料科学 · 腐蚀与防护
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FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES · 2018 · IF 1.011

The mechanochemical reaction of C60 and Bi(NO3)3·5H2O

Min-Zun Ji,Feng-Chao Guo,Pu Zhang,Zhi-Xin Guo

The mechanochemical reaction of C60 and Bi(NO3)3·5H2O was performed under ball-milling condition. The product was well characterized by spectroscopic methods such as IR, Raman, UV-vis, 13C NMR, as well as elemental analysis method. The spectroscopic investigation indicates that some hydroxyl and nitro groups are attached to the C60 and no profound structural changes occur for the C60 cage in the product. The elemental analysis gives an average composition of C60(NO2)2(OH)21 for the product. A possible mechanism is suggested for the reaction.

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APPLIED CATALYSIS B-ENVIRONMENTAL · 2024 · IF 20.2

Positive feedback of intermediates promotes efficient electrocatalytic C-N coupling at AuPd/SnOx interfaces

Hua Wang,Yunchuan Tu,Sijun Li,Yimin Jiang,Niandan Zhao,Wenbin Wang,Wei Shen,Ming Li,Rongxing He

Efficient electrocatalytic co-reduction of CO 2 and NO 3 − to urea involves simultaneous generation and stabilization of C- and N-coupling intermediates. Herein, we report positive feedback at the interfaces of an AuPd/SnO x catalyst that enables generation and stable co-adsorption of *CO and *NH 2 OH at low-potential, fostering efficient C-N coupling for urea formation. A combination of in-situ spectroscopic analyses and theoretical calculations show that *CO 2 captures electrons by bonding to the AuPd/SnO x interface, leading to positively charged Pd sites, which promote the NO 3 RR to give the key N-intermediate *NH 2 OH. The adsorbed *NH 2 OH provides electron feedback to the catalyst surface , which not only enhances the adsorption of CO 2 and promotes the conversion of *CO 2 to *CO to accelerate the CO 2 RR, but also enhances the adsorption strength of the catalyst for *CO. Owing to this positive feedback, the Faraday efficiency and yield of urea reached 21.3 % and 1280.5 μg∙h −1 ∙mg −1 at −0.2 V (versus the relative hydrogen electrode), surpassing the performance of most previously reported catalysts. This finding provides new insights into catalyst design for advancing C-N coupling systems.

研究领域: 化学 · 材料科学 · 催化反应
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WATER SCIENCE AND TECHNOLOGY · 2019 ·Vol. 80 ·期 5 ·950-960 · IF 1.624

Crystallization process and nucleation kinetics of Mg2+//SO42−, NO3−-H2O system

Zhang Caiduan,Liu Feng,Wang Fengjia,Li Haotian,Zeng Fang,Ma Yongliang,Wang Lidong

In order to achieve efficient recovery of ions from the simultaneous desulfurization and denitrification wastewater, the effects of various factors (i.e. the saturation temperature, the cooling termination temperature, the stirring rate and the cooling rate) on crystallization yield, metastable zone width and crystal morphology were investigated to determine the optimal crystallization conditions of Mg 2+ //SO 4 2− , NO 3 – -H 2 O system. According to the results of experiments, the nucleation kinetics were also speculated by Nývlt self-consistent equation and classical 3D nucleation theory. Also, the crystallization products were characterized by X-ray diffraction and scanning electron microscopy. Under the determined optimal conditions, the yield of the crystal can reach 78%, and the crystal products were verified as pure MgSO 4 · 7H 2 O, whose morphology is complete without defects.

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Advanced Optical Materials · 2024 · IF 8

(C8H6BrN2O)NO3: A Hybrid Nonlinear Optical Crystal With an Appropriate Birefringence

Yaoguo Shen,Wanrui Niu,Yingjie Luo,Yingwu Zhou,Xiaoling Xue,Liqin Liu

Organic planar groups have recently been used to construct nonlinear optical materials because of their large hyperpolarizability, and then most of the products have birefringence which is unfavorable to phase matching. Here, a new organic–inorganic hybrid nonlinear optical crystal (C 8 H 6 BrN 2 O)NO 3 is synthesized by combining the π-conjugated organic [C 8 H 6 BrN₂O] + cation and inorganic [NO 3 ] − anion as the fundamental building blocks. Surprisingly, it not only shows a large second-harmonic generation response of 3.8 times that of the commercial K 2 HPO 4 crystals, but also has a moderate birefringence of 0.08 at 550 nm. Furthermore, it demonstrates high thermal stability up to 220 °C despite its hybrid material characteristics. Single crystal structure analysis and theoretical calculations confirm that the specific arrangement of NLO-active [C 8 H 6 BrN₂O] + groups with halogen branch chains and strong hydrogen bonding between two π-conjugated groups leads to moderate birefringence and large frequency-doubling effect. These findings provide a method to explore hybrid nonlinear optical crystals.

CAS / MDL: 115-39-9 7697-37-2
研究领域: 材料科学 · 光学
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JOURNAL OF MATERIALS SCIENCE & TECHNOLOGY · 2021 · IF 8.067

Multi-action self-healing coatings with simultaneous recovery of corrosion resistance and adhesion strength

Chenhao Ren,Yao Huang,Wenkui Hao,Dawei Zhang,Xiejing Luo,Lingwei Ma,Jinke Wang,Thee Chowwanonthapunya,Chaofang Dong,Xiaogang Li

In this study, a new self-healing strategy that can simultaneously recover the corrosion resistance and the adhesion strength of coatings was introduced. The coating was based on a shape memory epoxy resin containing ethylene vinyl acetate (EVA) microspheres loaded with Ce(NO 3 ) 3 inhibitors, and was cured at a relatively high temperature to facilitate the fusion of adjacent microspheres for a strengthened self-healing effect. The electrochemical impedance spectroscopy (EIS) and scanning electrochemical microscopy (SECM) results demonstrated that the shape memory effect of epoxy matrix, the filling of molten EVA microspheres as well as the release of Ce(NO 3 ) 3 inhibitors contributed synergistically to suppress the corrosion reaction at the coating damage. After healing, the low frequency impedance modulus of the coatings containing Ce(NO 3 ) 3 -EVA microspheres was three orders of magnitude higher than that of the blank epoxy coating. The adhesion strength of the coatings containing Ce(NO 3 ) 3 -EVA microspheres on the metal substrate was also largely repaired thanks to the strong bonding effect of the EVA microspheres.

研究领域: 材料科学 · 腐蚀与防护 · 表面工程
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WATER AIR AND SOIL POLLUTION · 2016 ·Vol. 227 ·期 9 ·1-11 · IF 1.551

Removal of Nitrogen by Three Plant Species in Hydroponic Culture: Plant Uptake and Microbial Degradation

Wu Hailu,Xu Kaiqin,He Xiaojuan,Wang Xinze

Three macrophyte species, Typha augustifolia ( T. augustifolia ), Phragmites australis ( P. australis ), and Acorus calamus L. ( A. calamus L.), have been grown in hydroponic cultivation systems fed with synthetic wastewater. The experiment was designed as 3 × 2 factorial, with three species and two ratios of NH 4 + /NO 3 − so as to investigate the nitrogen transformation and nitrogen removal capacity of each species. The nitrogen removal mechanism was further disclosed by comparing biomass production, nitrogen mass balance, and root exudates of the three plant species under different NH 4 + /NO 3 − ratios. The results indicated there exists a linear relationship, with positive significance ( r  = 0.946, p  < 0.05), between plant biomass and total nitrogen (TN) removal efficiency; in other words, biomass could best reflect plant ability to remove nitrogen. It is also found that NH 4 + /NO 3 − ratio could influence plant biomass and root exudates significantly. Additionally, the hydrogen donor and source of energy in denitrification happened in this research were mainly organic acids and soluble sugars, accounting for approximately 50 % of the composition in root exudates.

研究领域: 环境科学 · 植物生理学 · 废水处理
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MOLECULES · 2025 ·Vol. 30 ·期 10 ·2146 · IF 4.6

Controlling Crystallization of Aqueous-Processed Planar Perovskite Films via Sodium Dodecyl Sulfonate Surfactant Modulation

Na Zheng,Cunyun Xu,Xiaofeng He,Gaobo Xu,Jiancheng You,Zhongjun Dai,Han Jiang,Qianqian Zhang,Qunliang Song

Solution processing represents a widely adopted methodology for perovskite solar cell (PSC) fabrication. Nevertheless, the prevalent use of toxic solvents and anti-solvents in conventional approaches presents significant challenges for PSC commercialization. Water, as an environmentally benign solvent with exceptional Pb(NO 3 ) 2 solubility, offers a promising alternative for perovskite film preparation. However, the sluggish conversion kinetics of Pb(NO 3 ) 2 to perovskite often results in morphological imperfections and incomplete conversion, particularly detrimental to planar inverted PSCs derived from aqueous solutions, which currently exhibit limited power conversion efficiencies (PCE) of approximately 6%. To mitigate the Ostwald ripening effect induced by slow reaction kinetics and enhance the conversion efficiency of deep-layer Pb(NO 3 ) 2 and PbI 2 , this study proposes a strategy of increasing the pore size in porous Pb(NO 3 ) 2 structures. Through the incorporation of sodium dodecyl sulfonate (SDS) surfactant into the Pb(NO 3 ) 2 precursor solution, we successfully fabricated high-quality perovskite films. Comprehensive characterization revealed that SDS doping effectively modified the surface properties of Pb(NO 3 ) 2 films, accelerating their conversion to perovskite. The optimized PSCs based on SDS-modified perovskite films demonstrated improved energy level alignment, enhanced charge carrier extraction, and suppressed non-radiative recombination. Consequently, the PCE of planar inverted aqueous PSCs increased significantly from 12.27% (control devices) to 14.82% following surfactant modification. After being stored in a nitrogen glove box for 800 h, the performance of the device still remained above 90% of its original level. It can still maintain 60% of its original performance after a 100 h heating aging test at 80 degrees.

CAS / MDL: 10099-74-8 67-63-0
研究领域: 材料科学 · 太阳能电池技术 · 环境科学
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