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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Experimental and modelling of vapour–liquid equilibria of ternary systems {HCOOK + [Emim]Ac + H2O}, {HCOOK + [Emim]Br + H2O}, {HCOOK + [Emim]Cl + H2O}, and {HCOOK + [Emim]NO3 + H2O}

Yaqi Ding,Neng Gao,Nian Li,Guangming Chen,Yongmei Xuan

The vapour-liquid equilibrium (VLE) data of four ternary solutions HCOOK + [Emim]Ac /[Emim]Br / [Emim]Cl / [Emim]NO 3  + H 2 O were measured using the boiling method at the temperatures from 305.78 K to 387.08 K, at solute (HCOOK + IL) mass fractions ( w ) between 0.2 and 0.5. A total of 234 data points ( w  = 0 included) were obtained and correlated with empirical Antoine-type equations. The absolute average relative deviations (AARD %) between calculated and measured vapour pressures were 0.58%, 0.50%, 0.49%, 0.63%, respectively, which showed good agreement. The comparison of the experimental and standard data and combined uncertainties of the experimental data confirmed good reliability of the experimental method and apparatus. The four ternary solutions with ILs as additives have lower vapour pressure compared to the corresponding binary solutions without ILs. The results showed that the four ternary solutions of HCOOK + [Emim]Ac / [Emim]Br / [Emim]Cl / [Emim]NO 3  + H 2 O can be the alternatives for traditional dehumidification and absorption media. [Emim]Cl has the best ability to reduce the vapour pressure of HCOOK + H 2 O at the solute (HCOOK + IL) mass fraction of 0.4 and 0.5. The [Emim]Ac has the most effect reducing the vapour pressure of HCOOK + H 2 O at the solute (HCOOK + IL) mass fraction of 0.3.

CAS / MDL: 7647-14-5
研究领域: 化学工程 · 热力学
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CHEMICAL ENGINEERING JOURNAL · 2025 · IF 13.2

A selective catalytic pyrolysis strategy for fire safety biomaterials

Zhaolin Li,Shuaiqi Wang,Hao Gu,Sijia Sun,Mingzhu Pan

Developing environmentally friendly and sustainable wood building materials must address the key issue of flame retardancy. However, conventional flame-retardant strategies bring potential environmental impacts and toxicity of combustion by-products. One option to solve this problem is to develop innovative flame-retardant strategies. Here, we present a new fire safety strategy that introduces potassium formate (HCOOK) to enable wood to selectively catalyze the active release of CO 2 . The CO 2 released during HCOOK pyrolysis enables to suppress the combustion reaction by diluting the combustible gases (ketones, aldehydes, phenols, etc.). Specifically, the incorporation of HCOOK is beneficial to the decarboxylation reaction (C=O) of cellulose at low temperatures of 170–310 °C, which promotes the production of CO 2 and improves the fire safety of wood. Additionally, the char layer hinders heat transfer and oxygen diffusion, providing effective fire protection. These synergistic effects of condensed phase and gas phase result in wood with excellent fire-retardant properties (limiting oxygen index of 35.8 %) and smoke suppression (total smoke production reduction 66.19 %). Furthermore, owing to the hydrogen bond interaction between HCOOK and wood, the wood exhibits exceptional mechanical properties (modulus of rupture, MOR, and modulus of elasticity, MOE). This study proposes a simple and environmentally friendly fire safety strategy for wood, providing valuable insights and laying a crucial foundation for the development of sustainable building materials in the future.

CAS / MDL: 83048-65-1
研究领域: 材料科学 · 化学工程 · 环境科学 · 消防安全工程 · 高分子科学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2025 · IF 2.2

Solubility and dissolution thermodynamic properties of potassium benzoate in pure solvents

Zhengda Zhou,Yuchen Yue,Siyu Wang,Tianxia Guo,Zihang Xu,Chunsong Liu,Yun Gao,Yanan Zhou

In this study, the static method was employed to investigate the solubility of potassium benzoate in ten pure solvents, including methanol, ethanol, n-propanol, isopropanol, n-butanol, isobutanol, n-pentanol, formamide, N , N -dimethylformamide, and N , N -dimethylacetamide, within the temperature range from 282.95 to 317.95 K at atmospheric pressure. The influence of temperature and solvent type on the solubility of potassium benzoate was analyzed. The experimental results revealed that the solubility of potassium benzoate increased with the rising of temperature in all the solvents studied. In addition, the experimental solubility data of potassium benzoate was fitted using the modified Apelblat equation and the λh equation. The calculated data showed that the modified Apelblat equation gave the better results compared to the λh equation. Furthermore, the Hansen solubility parameters and dipole moments were used to elucidate the solubilization behavior of potassium benzoate in various solvents. Finally, the dissolution thermodynamic properties of potassium benzoate including the Gibbs free energy, enthalpy and entropy were calculated based on the experimental solubility data and the van't Hoff equation.

CAS / MDL: 582-25-2
研究领域: 物理化学 · 化学热力学 · 溶液化学 · 药物化学 · 材料科学
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POLYMER · 2025 · IF 4.5

Mechanism of weighting salts effect on high-density polyacrylamide hydrogels for hydraulic fracturing performance

Xiaoqin Cao,Shiyuan Wang,Runxi Wang,Zhenghua Sun,Yujun Feng,Hongyao Yin

Partially hydrolyzed polyacrylamide (HPAM) hydrogels are widely used as fracturing fluids for extracting underground hydrocarbon resources. Weighting salts are incorporated to enhance hydrogel density to address the extreme pressure encountered in ultra-deep reservoirs. These salts exert significant effects on performance; however, the underlying mechanisms remain poorly understood, and the development of high-performance fracturing fluids remains a significant challenge. This study systematically examines the influence of potassium formate (HCOOK) and sodium bromide (NaBr) as weighting agents on the viscoelasticity of high-density HPAM hydrogels. The findings indicate that HCOOK exerts a more pronounced adverse impact on the viscoelasticity of HPAM hydrogels compared to NaBr. Molecular dynamics simulations reveal that the inferior viscoelasticity of the HCOOK-based polymer hydrogels is attributed to stronger supramolecular interactions between the crosslinker and HCOOK. This study develops an enhanced-performance high-density fracturing fluid with a density of up to 1.40 g/cm 3 , a maximum drag reduction rate of 75.1 %, and temperature tolerance up to 160 °C by integrating ultra-high molecular weight HPAM, a dual crosslinking strategy, and NaBr as weighting salt. This research not only provides fundamental insights into the complex interactions among weighting agents, crosslinkers, and polymers but also presents an enhanced-performance high-density fracturing fluid for ultra-deep hydrocarbon reservoirs.

CAS / MDL: 7681-57-4 79-06-1
研究领域: 高分子科学 · 石油工程 · 材料科学 · 化学工程 · 地质学
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RUSSIAN JOURNAL OF ORGANIC CHEMISTRY · 2022 ·Vol. 58 ·期 6 ·837-843 · IF 0.862

Preparation of N-Aryl Anthranilic Acid Drugs by Modified Ullmann Coupling Reaction in Ionic Liquids

Gu Zhengyu,Xue Feng,Yu Jiale,Ju Shengui

Abstract N -Aryl anthranilic acid drugs have been synthesized by a simple, environmentally friendly, low-cost, and high-yielding modified Ullmann coupling reaction protocol using potassium 2-bromobenzoate, substituted anilines, and copper acetate in tetrabutylphosphonium chloride ([TBP]Cl) ionic liquid. The optimal conditions have been found and applied to the synthesis of N -aryl anthranilic acid drugs at 170°C. Mass spectrometry, X-ray crystallography, and proton nuclear magnetic resonance were used to describe the structure of the products. Copper(I) complex catalyst was used as a starting catalyst for the Ullmann reaction because of the good fluidity and homogeneity in [TBP]Cl ionic liquid. Meclofenamic, mefenamic, clofenamic, and flufenamic acids were synthesized efficiently using the proposed general procedure. The distinct advantages of the described protocol are operational simplicity, cleaner reaction, high selectivity, excellent yield, rapid conversion, easy preparation, and the use of a low-cost catalyst.

研究领域: 有机化学 · 药物化学 · 材料科学 · 分析化学
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iScience · 2026 · IF 4.5

Dual Mode in situ Monitoring of CO2 Conversion via pH indicator and UV Vis Spectroscopy

Qixian xie,Bowen Guo,Yichen Zhang,Tianze Yang,Chenfang Cui,Zhengliang Liu,Honglin Yao,Baili Li,Wurong Ren

The integration of the KHCO 3 fed bipolar membrane (BPM) electrolyzer with KOH based CO 2 capture enables directly in situ conversion of captured CO 2 into valuable carbonaceous products, eliminating costly CO 2 recovery and compression steps. Even this integrated BPM system assembly holds promise, the critical lack of CO 2 adsorption intermediate species tracking necessitates the development of a monitoring platform. This work pioneers a novel dual-modal strategy employing simultaneous indicator-based sensing with in situ UV-Vis spectroscopy, achieving real time visualization of triphasic dynamics during integrated CO 2 capture-regeneration-conversion. Within this synergistic process involving Ar-saturated KHCO 3 decomposition, and electrochemical reduction, an etched indium (In) catalyst achieves 50% formate Faradaic efficiency (FE) at -1.1 V vs. RHE. The synergistic application of these complementary in situ diagnostics unlocks fundamental mechanistic insights into integrated CO 2 capture and conversion systems, establishing them as critical enablers for advancing efficient and scalable electrochemical CO 2 valorization.

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JOURNAL OF MEMBRANE SCIENCE · 2026 · IF 8.8

Geometrically stable nanopores in Zr-MOF membranes for effective Li+/Mg2+ separation

Yijing Zhang,Si Sun,Ming Wang,Yaling Han,Xuan Luo,Shenzhen Cong,Tao He,Huan Pang

Membranes featuring structural stability and precise ion selectivity are indispensable for efficient lithium recovery from magnesium-rich brines. Despite the promising potential of metal-organic framework (MOF) membranes in ion separation, the flexibility of aromatic linkers in conventional MOF structures often induces pore size fluctuations, which compromises size-based discrimination efficiency. Herein, defect-free Zr-Frustrated Trigonal-symmetry Rotor (Zr-FTR) membranes were fabricated on polyethylene terephthalate (PET) substrates via a counter-diffusion interfacial growth method. The Zr-FTR framework is constructed with bicyclopentane linkers, whose rigid geometric configuration and substantial torsional energy barriers ensure the retention of a fixed pore aperture (∼4.3 Å). This rigid confinement effect significantly suppresses transient pore expansion, enabling effective ion size sieving while retaining exceptional structural stability. The optimized Zr-FTR-24 membrane exhibits a high Li + permeability of 0.09 mol m −2  h −1 and a Li + /Mg 2+ selectivity of 235, with sustained performance stability over a 7-day continuous operation in mixed-ion solutions. This work establishes a novel design paradigm for suppressing linker dynamics in MOF membranes through rigid linker engineering, ultimately achieving structurally stable and size-exclusive ion transport.

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Chemical Engineering Journal Advances · 2026 · IF 6.9

Sustaining dynamic Cu surface reconstruction in formaldehyde oxidation coupled with a mechanically robust substrate-supported electrode design

Xiao-Dan Liu,Xiaomin Kang,En-Peng Du,Rui-Di Sun,Jie-Shu Qian,Li Zhou

The electrocatalytic formaldehyde oxidation reaction (FOR) on copper–based catalysts enables anodic hydrogen production and serves as an alternative to the oxygen evolution reaction by lowering the voltage requirement for water electrolysis. However, Cu–based electrocatalysts are constrained by a narrow operating potential window that limits attainable current densities, while insufficient long–term stability further restricts practical application. Herein, simultaneous enhancement of activity and stability is achieved by fabricating rough copper nanosheets on nickel foam (Cu–NF). The rough copper nanosheets increase the density of accessible active sites, enabling current densities up to 500 mA·cm −2 at 0.45 V vs RHE within the limited operating potential window. Moreover, the mechanically robust nickel foam scaffold helps preserve electrode integrity during prolonged anodic operation, while the dynamic Cu 0 /Cu+ surface evolution in the catalytic layer supports sustained activity, enabling stable operation for over 200 h. This work provides a general design guideline for achieving a balanced improvement in activity and durability of copper–based electrodes for formaldehyde oxidation.

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Journal of Water Process Engineering · 2026 · IF 6.7

Enhancing norfloxacin adsorption via NF dual-site non-metal functionalized biochar: Performance and mechanism

Fan Yin,Zihui Lin,Hailong Lu,Chunmin Xu,Hui Chen,Long Cheng

Given the limited performance of traditional biochar adsorbents, this study proposes an innovative two-step pyrolysis strategy for the precise synthesis of N F double-site co-doped biochars (NFBCs). This strategy effectively regulates the pore structure and surface chemistry of the material. The optimized material (NFBCs-1:3) exhibited an ultra-high specific surface area (2187 m 2 /g) and abundant active sites. Its maximum adsorption capacity for norfloxacin (NOR) reached 552.65 mg/g, significantly exceeding that of traditional biochar and most reported materials. The adsorption process followed pseudo-second-order kinetics and the Sips model. Mechanistic studies showed that its excellent performance stems from the synergistic effects of pore filling, π-π interactions, hydrogen bonding, and electrostatic interactions, with the unique N F double-site regulation of the electronic structure as the key. In addition, NFBCs-1:3 maintained excellent adsorption performance across a wide pH range, under coexisting ion interference, and in a variety of real-world water matrices, confirming its great application potential in the treatment of complex real-world wastewater. This study provides a new idea for the design of efficient and stable non-metal-doped carbon-based adsorbents.

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Science China-Chemistry · 2026 · IF 9.7

Boosting alkaline formate electrooxidation on Pd/Co(OH)2 catalysts through synergistic enhancement of Hads removal and HCOO− adsorption

Zheng Xia,Fu Yaoqiang,Ning Jing,Wang Haorui,Liu Hongfei,Cui Chunhua

Direct formate fuel cells (DFFCs) are becoming one of the most promising next-generation energy devices owing to their high energy density, low toxicity, and carbon neutrality. However, their practical application is hindered by the sluggish kinetics of the formate oxidation reaction (FOR) on conventional palladium (Pd)-based catalysts due to the strong adsorption of hydrogen intermediates (H ads ) that block the active sites. Herein, we tackled the above problem by tailoring the Pd electrocatalytic properties through the interfacial interaction with the hydroxyl group-abundant and oxophilic Co(OH) 2 substrate. This resulted in an impressive mass activity of 5.02 A mg −1 Pd for the synthesized Pd/Co(OH) 2 , approximately three times that of commercial Pd/C. Moreover, under high formate concentration, Pd/Co(OH) 2 exhibits significantly improved stability, i.e. , up to 24000 s sustainable current density with 100% selectivity toward CO 2 (CO 2 is actually converted to carbonate in alkaline media). Kinetic isotope effect (KIE) analysis and in situ Raman spectroscopy based mechanistic study reveal the excellent FOR performance of Pd/Co(OH) 2 originates from the partially oxidized Pd facilitated H ads oxidative removal and the more hydrophilic surface induced competitive HCOO − adsorption over H ads . This study demonstrates a rational strategy to optimize the Pd-based FOR electrocatalysts through the electronic and interfacial interactions with appropriate substrate to modulate the key intermediate adsorption-reaction kinetics.

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Nature Communications · 2026 · IF 18.1

Built-in electric field engineering in Co2N0.67/CoP heterostructures for glycerol electrooxidation-assisted hydrogen production

Zhang Yong,Qi Ying,Zhou Haiqing,Zhang Yan,Sun Jingying,Ma Wenqi,Hu Jiayi,Feng Ligang,Yu Fang

Glycerol electrooxidation emerges as an electrochemically cogent paradigm to supplant the sluggish oxygen evolution reaction in water electrolysis. However, most non-precious catalysts still suffer from large electrolytic voltage and poor stability when operating at industrially relevant current densities. Here, we develop a heterostructure catalyst by immobilizing abundant cobalt phosphide (CoP) nanoparticles on conductive cobalt nitride (Co 2 N 0.67 ) support, which results in the construction of a strong built-in electric field at the heterointerface. The optimal catalyst demonstrates effective bifunctional catalytic performance, yielding an industrial-level current density of 500 mA cm −2 at low potentials of −141 mV and 1.44 V for hydrogen evolution and glycerol oxidation, respectively. When integrated into a flow cell system, this catalyst maintains good stability for 260 hours at 1 A cm −2 (1.67 V) while preserving > 85% Faradaic efficiency for formate production. Both theoretical and experimental analyses substantiate that the built-in electric field drives directional electron transfer from CoP to Co 2 N 0.67 , forming an electron-deficient region at the CoP interface that enriches OH* species, and an electron-rich region at the Co 2 N 0.67 interface, facilitating hydrogen adsorption, thereby expediting the glycerol and H* co-adsorption process. Multiple in-situ spectroscopic characterizations verify the existence of a combined direct/indirect oxidation mechanism for glycerol electrooxidation. This discovery sets the stage for low-voltage hydrogen production by hybrid water splitting using the excess electrical power whenever and wherever available.

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ChemSusChem · 2026 ·Vol. 19 ·期 15 ·e70915 · IF 5.9

Toward Cost-Effective and Sustainable Production of 2,5-Bis(hydroxymethyl)furan by an Engineered Alcohol Dehydrogenase EcYjgB

Jing-Yi Wei,Jian-Peng Wang,Ning Li

2,5-Bis(hydroxymethyl)furan (BHMF) is a useful intermediate for manufacturing biobased polymers, biofuels, and fine chemicals. Biocatalytic reduction of 5-hydroxymethylfurfural (HMF) obtained via hexoses dehydration is a sustainable route toward BHMF, but the demand for efficient and cost-effective processes remains highly pressing. In this work, cofactor specificity engineering of an alcohol dehydrogenase from Escherichia coli ( Ec YjgB) was performed to improve its catalytic efficiency toward NADH, thus allowing the use of cheaper formate instead of glucose as the cosubstrate for BHMF production from HMF. Upon two-round mutagenesis, a promising variant V2 (S199D/S200R) was achieved, with greatly improved catalytic efficiencies toward both NADH and HMF as well as with reduced substrate inhibition. The recombinant E. coli strain harboring the variant and formate dehydrogenase displayed a much higher catalytic performance in HMF reduction at the expense of formate, compared to the strain incorporating the wild-type enzyme. The practicability of the variant V2 was demonstrated by preparative-scale synthesis of BHMF at 0.5–1 M substrate loadings with 7.8–9.8 g/L h productivities and >98% yields. According to environmental footprint evaluation and preliminary feedstock cost analysis, the formate-fueled bioprocess may hold great potential for cost-effective and sustainable production of BHMF. Graphical Cofactor-engineering of NADPH-dependent alcohol dehydrogenase Ec YjgB was performed, affording a high-activity variant V2 toward NADH. Based on the variant and formate dehydrogenase, a cost-effective and sustainable biocatalytic process toward 2,5-bis(hydroxymethyl)furan was developed at the expense of cheap formate.

CAS / MDL: 50-99-7 590-29-4 67-47-0
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