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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Optimization investigation on the novel MEA-MDEA-n-butanol-H2O phase change absorbent for CO2 capture

Yuqi Zhang,Yaxuan Zhen,Chunying Zhu,Taotao Fu,Youguang Ma

Chemical absorption has become the most mature and widely used CO 2 capture technology to address CO 2 emissions. Phase change absorbents based on mixed amines combine the advantages of individual amines and reduce regeneration energy consumption. A novel phase change absorbent system based on mixed amine was developed in this study and its CO 2 capture and desorption performance was investigated. The system comprises monoethanolamine (MEA), N-methyldiethanolamine (MDEA), n-butanol and water. Gas-liquid absorption experiments in the microchannel revealed that the flow patterns of the rich phase changed successively through homogeneous flow, irregular droplet flow, tubular-droplet flow and liquid slug flow as the gas-liquid ratio was increased. This transition was influenced by internal circulation, phase change and viscosity, causing the absorption rate to rise initially, then increase slowly before eventually declining. The desorption performance of the saturated rich phase in the MEA-MDEA-n-butanol-H 2 O system was significantly superior to that of the 30 wt% MEA aqueous solution. Comprehensively, the optimal mass ratio of MEA-MDEA-n-butanol-H 2 O was identified as 1.2:1.8:4:3, achieving a higher desorption rate and lower energy consumption. Desorption efficiency and cyclic capacity were 1.8 times those of the 30 wt% MEA aqueous solution, indicating promising application potential.

研究领域: 化学工程 · 碳捕集与封存 · 分离技术 · 吸收-解吸过程
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ADVANCED SYNTHESIS & CATALYSIS · 2025 · IF 4

Enhancing Thermal-Photocatalytic Reduction of CO2 via H2O-H2 Co-Feeding in Mg-Doped Bismuth Catalysts

Haonan Li,Weimin Ma,Pei Kang,Yingxuan Li

The rational design of efficient thermal-photo CO 2 reduction catalysts necessitates synergistic integration of structural modulation and reactant activation strategies. Herein, a Mg-doped Bi nanosphere catalyst is reported, engineered for efficient CO 2 reduction under H 2 O-H 2 co-feeding conditions. Mg doping not only optimizes the nanostructure by reducing the particle size but also modifies the surface charge distribution and enhances water adsorption, thereby promoting CO 2 activation and catalytic performance. Crucially, under H 2 O  H 2 co-feeding, H 2 O interacts with Bi to generate hydroxylated Bi  OH sites that promote CO 2 chemisorption, while H 2 supplies hydrogen species (*H) for CO 2 reduction. In situ diffuse reflectance infrared Fourier transform spectroscopy reveals a cooperative mechanism: CO 2 adsorbs on Bi  OH to form *CO 3 2− intermediates, which undergo sequential reduction facilitated by H 2 activation. This synergy achieves a CO production rate of 55.32 μmol·g −1 ·h −1 under 420 nm illumination with 100% selectivity, which is 2.4 times higher than that under a pure H 2 atmosphere. The work highlights the critical role of dopant-driven active site engineering and reactant synergies (H 2 O  H 2 ) in CO 2 valorization, providing a scalable strategy for catalytic performance enhancement.

CAS / MDL: 10035-06-0
研究领域: 催化化学 · 材料科学 · 环境化学 · 可再生能源 · 化学工程
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Carbon Neutralization · 2025 ·Vol. 4 ·期 1 ·e186 · IF 12

Priority Recovery of Lithium From Spent Lithium Iron Phosphate Batteries via H2O-Based Deep Eutectic Solvents

Yinghua Zhang,Juanjian Ru,Yixin Hua,Mingqiang Cheng,Lianwu Lu,Ding Wang

The growing use of lithium iron phosphate (LFP) batteries has raised concerns about their environmental impact and recycling challenges, particularly the recovery of Li. Here, we propose a new strategy for the priority recovery of Li and precise separation of Fe and P from spent LFP cathode materials via H 2 O-based deep eutectic solvents (DESs). Through adjusting the form of the metal complexes and precipitation mode, above 99.95% Li and Fe can be dissolved in choline chloride-anhydrous oxalic acid-water (ChCl-OA-H 2 O) DES, and the high recovery efficiency of Li and Fe about 93.41% and 97.40% accordingly are obtained. The effects of the main parameters are comprehensively investigated during the leaching and recovery processes. The recovery mechanism of the pretreated LFP is clarified and the rate-controlling step of the heterogeneous dissolution reactions is also identified. Results show that soluble phases of Li 3 Fe 2 (PO 4 ) 3 and Fe 2 O 3 are formed after roasting pretreatment, and Li(I) ions tend to form Li 2 C 2 O 4 precipitates with C 2 O 4 2− during the leaching process so that Li can be recovered preferentially in purity of 99.82%. After UV-visible light irradiation, Fe(III) ions are converted into Fe(II) ions, which can react with C 2 O 4 2− to form FeC 2 O 4 precipitates by adjusting the H 2 O content, and P is recovered as Na 3 PO 4 ∙12H 2 O (99.98% purity). Additionally, a plan for the recycling of used DES is proposed and the leaching and recovery performances still maintain stable after three recycling circles. The method offers an approach with a simple process, high efficiency, and waste-free recycling for priority recovery Li and precise separation of Fe and P from spent LFP batteries in DESs.

研究领域: 环境科学 · 材料科学 · 化学工程
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CORROSION SCIENCE · 2025 · IF 8.5

Effects of H2O on corrosion kinetics and deuterium permeation of CLF-1 steel exposed to Li2ZrO3

Zhihao Hong,Rong Liu,Yongjin Feng,Sifan Zong,Fantao Meng,Baoping Gong,Juemin Yan,Long Wang,Jijun Yang

The corrosion kinetics and deuterium permeation behavior of reduced activation ferritic/martensitic (RAFM) CLF-1 steel exposed to Li 2 ZrO 3 under high-temperature breeding blanket conditions were systematically investigated. The study revealed the corrosion kinetics of a bilayer corrosion structure that evolves with corrosion cycles, comprising a porous Fe-rich outer layer and a dense Cr-rich inner layer·H 2 O play a significant role in interfacial corrosion reactions, accelerating the degradation of the Fe-rich oxide through pore formation and delamination, resulting in enhanced deuterium permeation. Thermodynamic modeling confirmed that the interfacial reaction mechanism involves sequential structural transformations involving LiFeO 2 , Li 2 Fe 3 O 4 , Fe and LiCrO 2 phase. TEM reveals the dynamic microstructural evolution underlying the deterioration of the bilayer. A time-dependent corrosion model is proposed to elucidate the correlation between structural evolution and permeation resistance. With extended exposure, the Cr-rich LiCrO 2 phase dominates, acting as a passivating barrier that significantly impedes hydrogen isotope transport. Arrhenius analysis further substantiates the effectiveness of this evolving oxide structure in suppressing tritium permeation, highlighting the critical influence of H 2 O in corrosion-driven transport mechanisms.

CAS / MDL: 12031-83-3
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Catalysts · 2025 ·Vol. 15 ·期 6 ·530 · IF 4

Conversion of Cellulose to γ-Valerolactone over Raney Ni Catalyst Using H2O as a Hydrogen Source

Yalin Guo,Zhuang Ma,Binbin Jin,Limin Ma,Guodong Yao

The sustainable valorization of lignocellulosic biomass into high-value platform chemicals presents a crucial pathway for reducing reliance on fossil resources. Gamma (γ)-valerolactone (GVL) has gained recognition as a versatile bio-derived compound with broad applications in renewable energy systems and green chemical synthesis. While conventional GVL production strategies from carbohydrate biomass typically depend on noble metal catalysts paired with high-pressure hydrogen gas, these approaches face substantial technical barriers including catalyst costs, hydrogen storage requirements, and operational safety concerns in large-scale applications. This work develops an innovative catalytic system utilizing earth-abundant iron for in situ hydrogen generation through water splitting, integrated with Raney Ni as the hydrogenation catalyst. The designed two-stage process enables direct conversion of cellulose—first through acid hydrolysis to levulinic acid (LA) followed by catalytic hydrogenation to GVL without intermediate purification. Through systematic parameter optimization, a remarkable 61.9% overall GVL yield from cellulose feedstock was achieved. Furthermore, the methodology’s versatility was demonstrated through wheat straw conversion experiments, yielding 24.6% GVL. This integrated methodology explores a technically feasible pathway for direct cellulose-to-GVL conversion utilizing abundant water as the hydrogen source, effectively overcoming the critical limitations associated with conventional hydrogenation technologies regarding hydrogen infrastructure and process safety.

CAS / MDL: 64-18-6 7440-02-0
研究领域: 生物化学 · 可再生能源 · 催化化学
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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

Thermodynamic properties and prediction of viscosity for ternary solution (VOSO4 + PAA + H2O) in vanadium flow battery

Yushi Guo,Ling Wu,Chenglin Jiang,Jinling Zhao,Lutian Feng,Kaiyue Zhang,Ye Qin,Xiangrong Li,Jianguo Liu,Chuanwei Yan,Jiazhen Yang,Na Wang,Duo Qi,Junyao Li,Ming Lei

A number of additives have been proven to improve the performance of vanadium redox flow batteries (VRFBs). Polyacrylic acid (PAA) is considered to be one of the promising candidates because of its beneficial effects on the stability of batteries . This paper studied the influence of PAA on viscosity, which is one of the electrolyte transport properties. The viscosity of VOSO 4  + PAA + H 2 O ternary solution was measured at different temperature, ionic strength , and ionic strength fractions in the temperature range of 283.15 K–318.15 K. Several thermodynamic parameters of the PAA aqueous solution were calculated, such as the viscosity B -coefficients, the apparent molar volume of infinite dilution and the free energy of activation . In addition, two different semi-empirical prediction equations were established for ternary solution viscosity on the basis of the Eyring's theory , and the better one was determined through comparison. The average relative deviation is 0.74% between the predicted and the experimental values, which indicates this function can be used to predict the viscosity of VOSO 4  + PAA + H 2 O ternary solution.

研究领域: 电化学 · 物理化学
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

Dual redox-active sites with synergistic spin polarization effect to facilitate overall CO2 photoreduction with H2O

Xiaoyan Zhang,Wenkang Ni,Peihang He,Zhijie Wang,Ke Wang,Zizhong Zhang,Wenxin Dai,Xianzhi Fu

Photocatalytic CO 2 reduction comprises two coupled half-reactions: CO 2 reduction and H 2 O oxidation. Efficient coupling of these reactions maximizes the utilization of photogenerated electrons and holes, enhancing CO 2 conversion and product selectivity. In this study, sulfur-deficient V S -Zn 3 In 2 S 6 (V S -ZIS) catalysts were synthesized via an ethylene glycol solvothermal method, followed by anchoring Fe single-atom sites (Fe/V S -ZIS) to facilitate CO 2 photoreduction using H 2 O as proton source. The 1 %Fe/V S -ZIS exhibited exceptional performance, with a CO production rate of 88.6 μmol·g −1 ·h −1 and 97 % selectivity. Experimental and DFT results revealed that V S functioned as reductive sites to strengthen CO 2 adsorption and activation, while Fe single atoms (SAs) served as oxidative sites to facilitate H 2 O dissociation for proton supply. Fe SAs also induced spin polarization to enhance IEF, thereby suppressing photogenerated charges recombination at redox sites. Meanwhile, Fe SAs reduced COOH* formation energy barrier and lowered CO desorption temperature, improving CO selectivity. The constructed dual active sites synergistically enhanced the overall photocatalytic CO 2 reduction performance. This work offers new technical pathways for designing redox dual-active sites to boost the overall photocatalytic CO 2 reduction efficiency.

CAS / MDL: 207398-97-8
研究领域: 材料科学 · 环境科学 · 化学
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES · 2025 · IF 8.5

Efficient separation of lignocellulose component and furfural production from hemicellulose using a γ-valerolactone/H2O system

Xinyu Wang,Mingyang Hu,Yun Liu

This study investigates a one-step process for the simultaneous separation of cellulose, hemicellulose, and lignin from lignocellulosic biomass using γ-valerolactone (GVL)/H 2 O pretreatment, which also converts hemicellulose to furfural (FF). A response surface methodology (RSM) was applied to optimize the process parameters. Under optimal conditions (163 °C for 1.5 h), the maximum FF yield reached 85.36 %, and cellulose purity was 80.80 %. The extracted GVL-lignin was characterized as low-molecular-weight guaiacyl-syringyl (G-S) type nanospheres with significant antioxidant activity. The conversion of hemicellulose to FF was enhanced by the synergistic interaction of Lewis acid (MgCl 2 ) and Brønsted acid (H 2 SO 4 ), which promoted the isomerization of xylose and dehydration to FF. The high-purity cellulose yielded 18.87 g/L ethanol through separate hydrolysis and fermentation (SHF), 27 times higher than untreated solids. Additionally, GVL exhibited consistent performance in lignocellulose separation after six cycles. This method offers an efficient and sustainable approach to valorize lignocellulosic biomass, advancing the production of high-value products.

研究领域: 生物化学 · 可再生资源与环境科学
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PHYSICAL CHEMISTRY CHEMICAL PHYSICS · 2024 ·Vol. 26 ·期 16 ·12530-12536 · IF 2.9

A rotational spectroscopy study of microsolvation effects on intramolecular proton transfer in trifluoroacetylacetone–(H2O)1–3

Dingding Lv,Xinlei Chen,Ningjing Jiang,Guanjun Wang,Xiaoqing Zeng,Wei Fang,Weixing Li,Mingfei Zhou

Trifluoroacetylacetone (TFAA) has two enol forms, which can switch to each other via proton transfer. While much attention has been paid to their conformational preferences, the influence of microsolvation on regulating the proton position remains unexplored. Herein, we report the rotational spectra of trifluoroacetylacetone–(water)n (n = 1–3) investigated by chirped pulse Fourier transform microwave spectroscopy in the 2–8 GHz frequency range. Two conformers were identified for both TFAA–H2O and TFAA–(H2O)2, while only one conformer was characterized for TFAA–(H2O)3. The results indicate that water binding on the CH3 side stabilizes the enolF form, whereas water binding on the CF3 side stabilizes the enolH form. The enolF form predominates over the enolH form in these hydrated complexes, which contrasts with the fact that only enolH exists in isolated TFAA. EnolH becomes preferred only when water inserts itself into the intramolecular hydrogen bond. Instanton theory calculations reveal that the proton transfer reaction is dominated by quantum tunneling at low temperatures, leading to the stable existence of only one enol form in each configuration of the hydrated clusters.

研究领域: 物理化学 · 分子光谱学 · 量子化学 · 大气化学 · 化学物理
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JOURNAL OF SOLID STATE CHEMISTRY · 2023 · IF 3.3

Synthesis of nano-crystal PVMo2W9@[Cu6O(TZI)3(H2O)6]4⋅nH2O for catalytically biodiesel preparation

Liqiang Ma,Pengpeng Wei,Jingfang Li,Liye Liang,Guangming Li

To develop efficient and reusable catalysts for biodiesel production, quaternary heteropolyacid H 4 PVMo 2 W 9 O 40 (PVMo 2 W 9 ) was effectively wrapped inside rht -MOF-1 { rht -MOF-1 = [Cu 6 O(TZI) 3 (H 2 O) 6 ] 4 ⋅nH 2 O}, affording a crystalline H 4 PVMo 2 W 9 O 40 @ rht -MOF-1 ( 1 ) by one-pot hydrothermal method. The identification of the crystal structure of 1 was achieved through the utilization of X-ray crystallography. Nano-size crystals of 1 ( n-1 ) were prepared with the assistance of surfactant Tween 20. Notably, crystal n-1 was of cube shape grown along {100} facets rather than octahedral shape for 1 . When n-1 was applied as the catalyst for the esterification reactions, high conversion rates were achieved. E. g. about 97 % conversion for oleic acid to the corresponding monoalkyl esters and about 87 % for rapeseed oil to biodiesel. The catalyst was heterogeneous and recyclable 7 times without obvious attenuation. Further, the correlation between the catalytic activity and structure of n-1 was investigated in terms of the distribution of active sites, various pores in rht -MOF-1, and the accessibility of catalytic sites on the {100} facets.

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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2023 · IF 2.6

Study on Stable Phase Equilibria of Quinary System LiBr–NaBr–KBr–MgBr2–H2O at 298.15 K

Chang-Wei Peng,Rui-Zhi Cui,Shi-Hua Sang,Hong-Bao Ren

According to the composition characteristics of mineral elements in underground brine in the Sichuan basin of China, the complete phase equilibria and phase diagram of the quinary system LiBr–NaBr–KBr–MgBr2–H2O were studied at 298.15 K. Using the experimentally determined solubilities and equilibrium solids, the spatial stereo phase diagram of the quinary system, the dry base projection phase diagrams of the saturated surfaces of the four salts MgBr2·6H2O, KBr, LiBr·2H2O, and NaBr·2H2O, and the corresponding water content diagrams were plotted, respectively. The experimental results show that at 298.15 K, in addition to the four original components, the anhydrous salt NaBr and the double salt KBr·MgBr2·6H2O are formed. The phase diagram of the quinary system at 298.15 K contains 10 univariate curves, three invariant points, and six equilibrium solid-phase crystallization regions (KBr crystallization region, NaBr crystallization region, NaBr·2H2O crystallization region, MgBr2·6H2O crystallization region, LiBr·2H2O crystallization region, KBr·MgBr2·6H2O crystallization region). When MgBr2·6H2O or KBr is saturated, LiBr has a strong salting-out effect on KBr, NaBr, or MgBr2 and NaBr, while when LiBr·2H2O is saturated, MgBr2 has a salting-out effect on KBr and NaBr. All four saturated projection surfaces have MgBr2·6H2O, and NaBr is generated. These phase equilibrium data can provide a theoretical basis to guide underground brine mining and extract useful components.

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DALTON TRANSACTIONS · 2023 ·Vol. 52 ·期 20 ·6799-6803 · IF 4

Facile synthesis of Sb3+-doped (Bmim)2InCl5(H2O) through a grinding method for light-emitting diodes

Jiayue Hao,Ran An,Yao Li,Ke Wang,Shuyan Song,Jing Feng,Xinyu Wang,Hongjie Zhang

Organic–inorganic metal hybrid halides (OIMHs) as a new kind of photoelectric material have gained much attention in recent years because of their excellent performance in solid-state lighting applications. However, the preparation of most OIMHs is complex and requires a long preparation time in addition to the solvent providing the reaction environment. This greatly limits their further applications. Here, we synthesized zero-dimensional lead-free OIMH (Bmim)2InCl5(H2O) (Bmim = 1-butyl-3-methylimidazolium) by a facile grinding method at room temperature. Through Sb3+ doping, Sb3+:(Bmim)2InCl5(H2O) shows a bright broadband emission centered at 618 nm under UV excitation, which could be attributed to the self-trapped exciton (STE) emission of Sb3+ ions. To explore their ability in the field of solid-state lighting, a white-light-emitting diode (WLED) device based on Sb3+:(Bmim)2InCl5(H2O) with a high color rendering index of 90 was fabricated. This work enriches In3+-based OIMHs and provides a new direction for the simple fabrication of OIMHs.

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