JOURNAL OF COLLOID AND INTERFACE SCIENCE
·
2025
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IF 9.7
Han Wang,Yanli Wang,Quan Ye,Fuchen Ye,Rongkai Kang,Xingchang Zhang,Guowen Chen,Yiqun Du,Jianxin Zhang
Heterostructures facilitate the generation of the interfacial electric field (IEF) that enhances charge transfer and ion diffusion, resulting in improved electrochemical performance in rechargeable aluminum batteries (RABs). However, the ability of heterostructures to generate the IEF is limited, and research efforts on IEF modulation remain scarce, particularly in the field of RABs. Herein, sulfur (S) vacancies are introduced into the core–shell MoS 2 /ZnS heterostructure (Vs-MoS 2 /ZnS) to strengthen the IEF and enhance aluminum storage performance. First-principles computational analyses demonstrate S vacancies increase the work function difference, induce spontaneous interfacial charge transfer, and enhance the IEF. The increased IEF accelerates electron transport, reduces ion diffusion barriers, and increases the adsorption capacity of charge carriers, significantly improving the reaction kinetics of RABs. Moreover, the designed core–shell structure, together with S vacancies, provides strong structural integrity and numerous active sites to the host material. Benefiting from these merits, the Vs-MoS 2 /ZnS cathode demonstrates enhanced reversible capacity (220 mAh g −1 at 0.5 A g −1 ) and long-term cycling stability (127 mAh g −1 over 2000 cycles at 4.0 A g −1 ). This work provides an effective approach for designing heterostructures by modulating the IEF, offering novel insights into the development of advanced RABs cathodes.
研究领域:
材料科学
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电化学
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产品关联
DOI
PubMed
高影响因子
JOM
·
2019
·Vol. 71
·期 8
·2827-2833
·
IF 2.305
Gong Dandan,Zhou Kanggen,Li Junjie,Peng Changhong,Chen Wei
Conversion of CaWO 4 to MgWO 4 by roasting scheelite with MgCl 2 is the key step for the subsequent alkaline extraction of tungsten from scheelite. In this study, the factors influencing the conversion efficiency of MgWO 4 during the roasting of synthetic scheelite and MgCl 2 were evaluated, and the reaction kinetics were explored by model fitting. The results indicate that the conversion efficiency increases with an increase in roasting temperature and magnesium chloride dosage, and that a decrease in mineral particle size also increases the conversion efficiency. Moreover, the roasting reaction between synthetic scheelite and MgCl 2 at 773–923 K fits well to the Avrami–Erofeev kinetic model, and the roasting reaction is controlled by both diffusion and chemical reaction. This study contributes to a better understanding of the roasting process of scheelite with MgCl 2 and the development of a new route for extracting tungsten from scheelite.
研究领域:
冶金化学
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材料科学
✓ 已验证
产品关联
DOI
高影响因子
CARBON
·
2019
·
IF 7.466
Lei Xie,Zhe Wang,Jinrong Liu,Yutong Gong,Shanjun Mao,Guofeng Lü,Xiao Ma,Lili Yu,Yong Wang
The easy hydrothermal method is a potential candidate for the preparation of carbohydrate-derived hierarchically porous polymers (HPPs) and carbons (HPCs). However, owing to the uncontrolled reaction rate and the weak affinity between precursors and soft templates, the synthesis of HPPs and HPCs with tunable properties through this method remains a great challenge. Here we develop a kinetics-controlled soft-template strategy to enable the preparation of a series of HPPs and HPCs with variable porous and morphological structures from diverse building blocks. By simply controlling the reaction kinetics with the change of acid concentration, flower-like and layered materials assembled from ordered mesoporous plates, and materials with adjustable mesopores and macropores aggregated from nanoparticles with different sizes, could be generated. Moreover, Pt nanoparticles were in situ encapsulated inside HPPs. With the advantages of both Pt nanoparticles and HPCs, the as made Pt@HPCs catalyst realized the size-selective hydrogenation of various alkenes .
研究领域:
材料科学
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化学工程
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2014
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IF 2.235
Yuyuan Deng,Qin Zhang,Huachuan Zhang,Chengxi Zhang,Wenhu Wang,Yi Gu
To study oxazine ring formation in benzoxazine synthesis from phenol, primary amine and formaldehyde, reactions between 2-phenylaminomethylphenol (Mannich base) and formaldehyde in homogeneous dioxane/water solution are researched. Reaction orders, rate constants at different temperatures, and activation energy are calculated, the process of reaction is proposed, and the influence of acid and base is discussed. The reaction can occur at low temperature and generate the product 3,4-dihydro-2H-3-phenyl-1,3-benzoxazine. No intermediate 2-(N-hydroxymethyl-N-phenylamino)methylphenols are observed. The concentration of a Mannich base has little effect on the reaction rate, while the reaction is first-order to formaldehyde. Based on chemical properties of formaldehyde in aqueous solution, the reaction process includes the following three steps: degradation of poly(oxymethylene) glycols to methylene glycol, dehydration of methylene glycol to formaldehyde molecule, and the reaction between a Mannich base and formaldehyde molecule to benzoxazine. Dehydration of methylene glycols to formaldehyde molecules is the rate-controlling step.
研究领域:
有机化学
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物理化学
✓ 已验证
产品关联
DOI
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2019
·
IF 1.911
Dong Sun,Guangzhi Xin,Lu Yao,Lin Yang,Xia Jiang,Wenju Jiang
Manganese leaching during high concentration flue gas desulfurization process with semi-oxidized manganese ore was studied in this paper. It was found that there were different reaction pathways among which MnO 2, Mn 2 O 3 and MnCO 3 in semi-oxidized manganese ore during flue gas desulphurization and manganese leaching. High SO 2 concentration facilitated redox reaction between MnO 2 and SO 2 , and high concentration of H 2 SO 4 accelerated MnCO 3 /Mn 2 O 3 leaching from semi-oxidized ore. Kinetics study showed that manganese leaching in flue gas desulfurization process with semi-oxidized ore was controlled by a mixed-control model, that is the surface chemical reaction and mass diffusion dominated both the oxidation of SO 2 and manganese leaching process. The apparent activation energy was 13.05 kJ·mol −1 and the reaction orders with respect to SO 2 and H 2 SO 4 concentration were 1.38 and 0.10, respectively. Finally, a semi-empirical rate equation based on shrinking core model was derived to describe the process.
研究领域:
化学工程
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环境科学
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产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2021
·
IF 3.764
Shuaifeng Liu,Xiaojuan Zhang,Edouard Asselin,Zhibao Li
The reaction kinetics of peracetic acid from acetic acid and hydrogen peroxide in a helical capillary microreactor was investigated and modeled via regression of the measured conversion rate of hydrogen peroxide. It was found that the activity of the proton in the sulfuric acid solution played a significant role in the synthesis as a catalyst. The activities of the proton were calculated with the ELECNRTL equation and used to obtain a kinetic model with apparent activation energies of peracetic acid synthesis and hydrolysis of 53.63 and 54.45 kJ/mol, respectively. A new continuous process for industrial manufacture of peracetic acid solution (30 wt %) was proposed, where the reacted solution from the microreactor is distilled to separate unreacted reactants and sulfuric acid, which are recycled as a feed. The feasibility of the new process was validated by Aspen Plus simulation and economic assessment.
研究领域:
化学工程
·
工业化学
✓ 已验证
产品关联
DOI
高影响因子
Journal of Flow Chemistry
·
2023
·Vol. 13
·期 3
·311-323
·
IF 2.7
Song Jing,Cui Yongjin,Wang Yujun,Wang Kai,Deng Jian,Luo Guangsheng
The nitration of toluene with mixed acid is one of the most representative nitration reactions. Accurate kinetic study is essential for controlling the reaction and designing reactors. Due to the characteristics of fast rate, high exothermicity and heterogeneity in toluene nitration, the effects of mass and heat transfer may result in inaccurate determination of kinetics. In this work, the adiabatic temperature rises of the reaction system were studied to provide precise ranges of experimental conditions for accurately controlling the reaction rate and heat release rate in a liquid–liquid microflow system. The adiabatic temperature rise was successfully controlled to below 0.3 °C. The effects of mass and heat transfer on the reaction rate were completely eliminated, so that the kinetic study was carried out under the control of intrinsic kinetics only. The activation energy for toluene nitration was determined to be 28.00 kJ/mol. The activation energies for the formation of o -nitrotoluene and p -nitrotoluene were obtained for the first time, which were 25.71 and 31.91 kJ/mol, respectively. The obtained kinetic models can predict the reaction performance of toluene nitration very well.
研究领域:
化学工程
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反应动力学研究
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产品关联
DOI
高影响因子
JOURNAL OF COLLOID AND INTERFACE SCIENCE
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2022
·
IF 9.965
Qiuyang Ma,Qiqi Liu,Zhongyuan Li,Jun Pu,Jawayria Mujtaba,Zhen Fang
The practical applications of room-temperature sodium-sulfur (RT Na-S) batteries have been greatly hindered by the natural sluggish reaction kinetics of sulfur and the shuttle effect of sodium polysulfide (NaPSs). Herein, oxygen vacancy (OV)-mediated amorphous GeO x /nitrogen doped carbon (donated as GeO x /NC) composites were well designed as sulfur hosts for RT Na–S batteries. Experimental and density functional theory studies show that the introduction of oxygen vacancies on GeO x /NC can effectively immobilize polysulfides and accelerate the redox kinetics of polysulfides. Meanwhile, the micro-and mesoporous framework, acting as a reactor for storing active S, is conducive to alleviating the expansion of S during the charging/discharging process. Consequently, the S@GeO x /NC cathode affords a reversible capacity of 1017 mA h g −1 at 0.1 A g −1 after 100 cycles, outstanding rate capability of 333 mA h g −1 at 10.0 A g −1 and long lifespan cyclability of 385 mAh g −1 at 1 A g −1 after 1200 cycles. This work furnishes a new way for the rational design of metal oxides with oxygen vacancies and boosts the application for RT Na-S batteries.
研究领域:
材料科学
·
电化学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
JOURNAL OF ALLOYS AND COMPOUNDS
·
2023
·
IF 6.2
Yaning Li,Boliang Wang,Zhiwei Han
The preparation and energy release mechanism of highly reactive n-Al/F-polymer metastable intermixed composites are both desirable and challenging. In this study, we employed an optimized electrospray sampling strategy to significantly enhance the reaction activity of aluminum-based MICs, as well as their combustion performance. It is evident that the optimization of the sampling strategy yielded remarkable results. Compared to the physical mixture, MICs-1 exhibited a 7.2-fold and 9.9-fold increase in P max and P max /Δ t , respectively. The combustion rate experienced an 8.5-fold improvement, and the energy release efficiency rose from 52.18 % to 68.11 %. An analysis of the energy evolution mechanism reveals a mitigation of the reactive sintering phenomenon observed in MICs-1. The presence of PVDF facilitates the reactivity of aluminum powders by selectively corroding the alumina shell. The reaction kinetics parameters indicate that MICs-1 demonstrates characteristic three-step reaction behavior and exhibits a lower reaction energy barrier. Furthermore, ReaxFF molecular dynamics simulations demonstrate the adsorption and dissociation of PVDF on the surface of aluminum powders, leading to erosion defects in the alumina crystal structure. These defects, in turn, induce the ignition reaction.
研究领域:
材料科学
·
能源工程
✓ 已验证
产品关联
DOI
高影响因子
ELECTROCHIMICA ACTA
·
2023
·
IF 6.6
Yemiao Gao,Shuhan Gao,Xinyang Pang,Dongdong Chu,Weixia Zhu,Jiajia Huang
Zinc-iodine batteries (ZIBs) still suffer from severe shuttle effects and sluggish reaction kinetics of the iodine species, which result in inferior cycle life and unsatisfactory rate performance. Although physical immobilization and chemical adsorption had been used to confine iodine species, the redox kinetics of iodine in ZIBs still needed to be improved. Herein, cobalt (II) phthalocyanines (CoPc) were loaded on actived carbon fiber (ACF) uniformly via π-π interaction and served as I 2 support to fabricate CoPc-ACF/I 2 cathodes materials of ZIBs. Actived carbon fiber (ACF) as effective catalyst support can achieve high dispersion of cobalt phthalocyanine (CoPc) while maintaining high conductivity of composite, and its favorable porous structure is also conducive to iodine loading. The electrocatalytic effect of CoPc can significantly reduce energy barriers and simultaneously accelerate charge transfer to achieve a faster reaction kinetic process for iodine reduction reactions. In particular, the CoPc-ACF matrix shows a remarkably lower Tafel slope (253.4 mV dec −1 ) and lower energy barrier (18.04 kJ mol −1 ) compared with the ACF matrix (395.69 mV dec −1 and 36.25 kJ mol −1 ) for the iodine redox reaction. Consequently, the CoPc-ACF/I 2 cathode delivers a specific capacity of 203.6 mAh g −1 at 0.5 A g −1 , an excellent rate capability with 151.4 mAh g −1 achieved even at 15 A g −1 , and ultra-stable cycle life over 8000 cycles with 89.2% capacity retention. This work provides fresh insight into the design and development for achieving ZIBs with high performance.
研究领域:
材料科学
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电化学
·
能源存储
✓ 已验证
产品关联
DOI
高影响因子
INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2024
·
IF 8.1
Wenbin Tang,Jin Shen,Zhongjie Shen,Jiawei Wang,Zizheng Dong,Jianliang Xu,Haifeng Liu
By-products of the hydrolysis reaction in the copper-chlorine thermochemical cycle for hydrogen production are key to the final thermal and hydrogen efficiency. The current study focuses on the influences of reaction time, temperature, and steam partial pressure on the hydrolysis reaction and by-product formation mechanism via experimental and multiple analytical methods. The result demonstrates that the hydrolysis reaction of CuCl 2 and steam converts to CuCl and Cu 2 OCl 2 , with a high conversion of 97%, while the Cu 2 OCl 2 and CuCl 2 -CuO product mixtures exhibit interconversion capabilities. The increase of temperature increases the CuCl product content, while the decrease of steam partial pressure increases the by-product CuCl 2 . Particle morphology and reaction thermodynamics are analyzed for main and by-products formation. Finally, the homogeneous reaction model and shrinking core model are used and compared for the activation energy of the formation of Cu 2 OCl 2 for the hydrolysis reaction and the effect of by-products.
研究领域:
化学工程
·
能源科学
✓ 已验证
产品关联
DOI
高影响因子
ACS Sustainable Chemistry & Engineering
·
2024
·
IF 7.1
Duo Wei,Nuoqing Yin,Dehua Xu,Lingling Ge,Rong Guo
Multicompartments in complex emulsions, which mimic the organelles of living cells, can spontaneously sequester reactants/products and confine spatially incompatible compounds. This provides opportunities to control spatiotemporal reaction processes and to be a sustainable and high-efficiency platform for biphasic reactions even under stirring-free and ambient temperatures. We introduce a new multicompartment droplet microreactor based on one-step prepared complex emulsions. An organic/aqueous addition reaction between oil-soluble stilbene and water-soluble N-bromosuccinimide is employed as a model biphasic reaction. The conversion in the proposed complex droplet microreactor achieves a rate about 25 times higher than that in a traditional triphasic batch system. Over a 10 times threshold of the reaction rate is finely tuned by rationally engineering diverse droplet morphologies. Reversible in situ control of the reaction kinetics is achieved based on the reversible topology transition manipulated by the surfactant composition and temperature, with no need for adding any extra substance. Furthermore, reaction kinetics are precisely regulated by the droplet size and the shape of the two inner lobes. After rapid demulsification, over 86% of the target product is spontaneously enriched in one separated phase with a maximum purity of 98% following solvent removal. The byproduct succinimide and the solvent fluorocarbon phase are fully recycled to avoid potential pollution problems.
研究领域:
化学工程
·
生物化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）