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Active facet determination of layered double hydroxide for oxygen evolution reaction

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Journal of Energy Chemistry 2021年第9期30卷 127-134页

作者： Yunqi Zhang Wenfu Xie Jialing Ma lifang chen Chunyuan chen Xin Zhang Mingfei Shao State Key Laboratory of Chemical Resource Engineering College of ChemistryBeijing University of Chemical TechnologyBeijing 100029China

Oxygen evolution reaction(OER) plays an indispensable role in developing renewable clean energy resources. One of the critical bottlenecks for the reaction is the development of highly efficient electrocatalyst to decrease the high overpotentials of four-electron transfer process of OER. Recently, layered double hydroxides(LDHs) have been widely investigated among the most promising electrocatalysts for OER due to their high intrinsic activity, excellent stability as well as low-cost. However, it remains unclear how the exposed facet of the LDHs affects their electrocatalytic activity. Here we elucidate the active edge facet of LDHs towards OER by combining the finely control of edge facet ratio coupled with molecular probe method and computational calculation. The LDHs with higher edge facet area ratio show superior activity with low onset potential as well as decreased Tafel slope. The active edge site is further proved by blocking the unsaturated edge sites with cyanate probe anion, of which the adsorption largely inhibits OER activity. Furthermore, based on density functional theory(DFT) calculation, twodimensional map of theoretical overpotentials as a function of Gibbs free energy reveals that the edge(100) facet exhibits a much higher OER activity than basal plane(001) facet.

关键词： Oxygen evolution reaction Layered double hydroxide Electrocatalysis Active facet

A systematic COSMO-RS study on mutual solubility of ionic liquids and C6-hydrocarbons

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Green Chemical Engineering 2024年第1期5卷 97-107页

作者： Chuxin Qi Zhen Song Hongye cheng lifang chen Zhiwen Qi State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and Technology130 Meilong RoadShanghai200237China

When considering the usage of ionic liquids(ILs)for reactions and separations involving non-polar or weak-polar hydrocarbons,the knowledge of the mutual solubility behaviors of ILs and hydrocarbons is of the utmost *** this work,taking four typical C6-hydrocarbons namely benzene,cyclohexene,cyclohexane,and hexane as representatives,the mutual solubility of ILs and non-polar or weak-polar hydrocarbons are systematically studied based on the COSMO-RS *** reliability of COSMO-RS for these systems is first evaluated by comparing experimental and predicted hydrocarbon-in-IL activity coefficient at infinite dilution and binary/ternary liquid-liquid equilibria of related ***,the mutual solubility of the four hydrocarbons and13,650 ILs(composed by 210 cations and 65 anions)are *** effect of different IL structural characteristics including alkyl chain length,cation family/symmetry/functional group,and anion on the IL-hydrocarbon mutual solubility behaviors are further analyzed by the analyses of interaction energy and screen charge *** mutual solubility databases and the structural effects identified thereon could provide useful guidance for IL selection in related applications.

关键词： C6-hydrocarbons Ionic liquids Mutual solubility COSMO-RS Structural effect analysis

Reactive extraction for synthesizing long chain ester butyl hexanoate intensified by deep eutectic solvent

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Chinese Journal of Chemical Engineering 2021年第8期34卷 120-127页

作者： Yishan Zhou Hao Qin Hongye cheng lifang chen Bingjian Zhang Zhiwen Qi State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and TechnologyShanghai 200237China Key Laboratory of Low-carbon Chemistry&Energy Conservation of Guangdong Province Sun Yat-sen UniversityGuangzhou 510275China

Butyl hexanoate(BuHE)is an important long-chain ester that is widely used in the food,beverage and cosmetic *** this work,reactive extraction concept was proposed to intensify the BuHE formation in a biphasic system,in which deep eutectic solvent(DES)comprising 2-methylimidazole(2-MIm)and p-toluenesulfonic acid(PTSA)was used as dual ***,the effect of 2-MIm to PTSA molar ratio on esterification was investigated to determine the optimum DES of[2-MIm:2PTSA],which was characterized by FT-IR and ***,the liquid–liquid equilibrium(LLE)and esterification experiments were carried out to confirm the extraction and catalytic effect of[2-MIm:2PTSA],***,the pseudo-homogeneous kinetic model was employed to describe the esterification ***,the intensification mechanism of reactive extraction for BuHE formation was proposed according to the experiments and interaction effect analysis.

关键词： Esterification Reactive extraction Deep eutectic solvent Catalysis effect Solvent effect Pseudo-homogeneous kinetic model

Effect of herb-partitioned moxibustion on pain and quality of life in women with endometriosis: a protocol for a randomized clinical trial

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Journal of Traditional Chinese Medicine 2020年第2期40卷 324-332页

作者： Hu Hantong chen lifang Jin Xiaofei Li Ru Fang Jianqiao Department of Acupuncture and Moxibustion the Third Affiliated Hospital of Zhejiang Chinese Medical UniversityHangzhou 310005China Zhejiang Chinese Medical University Hangzhou 310053China Department of Neurobiology and Acupuncture Research the Third Clinical Medical CollegeZhejiang Chinese Medical UniversityKey Laboratory of Acupuncture and Neurology of Zhejiang ProvinceHangzhou 310053China

OBJECTIVE: To investigate the effect of herb-partitioned moxibustion(HPM) on pain and quality of life in women with ***: Thirty-six patients will be randomly assigned to a treatment group or a wait-list control group. The treatment group will receive 12 sessions of HPM in the lower abdomen and lumbosacral region for 3 months. Wait-list participants will not receive any specific treatments until the trial is ***: The primary outcome measure is pain intensity assessed by a Visual Analogue Scale at baseline, months 1, 2, and 3 in the treatment period,and months 4, 5, and 6 in the follow-up period. Secondary outcome measures include quality of life assessed by the Short Form 36 Health Survey, change in CA125, change in cyst diameter(assessed by ultrasound examination), and rescue medication ***: This study will provide evidence to confirm if HPM may be used as a therapeutic option for treating endometriosis.

关键词： Moxibustion Endometriosis Pain Randomized controlled trial Protocol

A rate-based method for dynamic analysis and optimal design of reactive extraction: n-Hexyl acetate esterification as an example

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Chinese Journal of Chemical Engineering 2020年第1期28卷 76-83页

作者： Xutao Hu Hao Qin Biao Hu Hongye cheng lifang chen Zhiwen Qi Max Planck Partner Group at the State Key Laboratory of Chemical Engineering School of Chemical Engineering East China University of Science and Technology

The dynamic analysis and optimal design of reactive extraction are challenging due to high nonlinearity of model equations and tough decision of judging criteria. In this work, a dynamic rate-based method is developed on g PROMS platform to get easy access to the solutions of reactive extraction with phase splitting. Based on rigorous criteria, dynamic analysis from initial state to final equilibrium(e.g., evolution of phase composition, mass transfer rate and reaction rate) and optimal design of operating conditions(e.g., extractant dosage and feed molar ratio) are achieved. To illustrate the method, the esterification of n-hexyl acetate is taken as an example. The approach proves to be reliable in the analysis and optimization of the exemplified system, which provides instructive reference for further process design and simulation of reactive extraction.

关键词： Reactive extraction Dynamic rate-based method Optimal design Process simulation n-Hexyl acetate esterification

Reactive extraction for intensifying 2-ethylhexyl acrylate synthesis using deep eutectic solvent [Im:2PTSA]

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Green Energy & Environment 2021年第3期6卷 405-412页

作者： Ruizhuan Wang Hao Qin Jingwen Wang Hongye cheng lifang chen Zhiwen Qi State Key Laboratory of Chemical Engineering and School of Chemical Engineering East China University of Science and Technology130 Meilong RoadShanghai200237China

2-Ethylhexyl acrylate(2-EHA)is one of the most widely used acrylates in the polymer industry,which is synthesized via Fisher esterification that is limited by chemical *** intensify the esterification process,in this work,reactive extraction concept is proposed,with halogen-free deep eutectic solvent(DES[Im:2PTSA])as dual solvent-catalyst that consists of imidazole(Im)and p-toluenesulfonamide(PTSA).The bifunctional effects of the DES[Im:2PTSA]are evaluated by thermodynamic analysis and experimental *** phase splitting is verified byσ-potential analysis predicted by COSMO-RS theory,combined with experiments,and the optimal acid-to-alcohol molar ratio is set to *** esterification kinetics is then experimentally determined and fitted using the molar-based and activity-based pseudo-homogeneous(PH)models,*** activity-based PH model,that considers the bifunctional roles of the DES,proves to be more accurate with small RMSD of *** stability of DES after recycling is validated to further confirm the industrial prospects of DES[Im:2PTSA]in 2-EHA production.

关键词： 2-Ethylhexyl acrylate Deep eutectic solvent Reactive extraction Esterification kinetics COSMO-RS

COSMO-RS prediction and experimental verification of 1,5-pentanediamine extraction from aqueous solution by ionic liquids

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Green Energy & Environment 2021年第3期6卷 422-431页

作者： chenhao Jiang Hongye cheng Zexian Qin Ruizhuan Wang lifang chen chen Yang Zhiwen Qi Xiucai Liu State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and Technology130 Meilong RoadShanghai200237China Institute of Biobased Materials East China University of Science and Technology130 Meilong RoadShanghai200237China Cathay Biotech Inc. 1690 Cailun RoadShanghai201203China

1,5-Pentanediamine(PDA)produced by biological fermentation becomes popular,but the separation of PDA from the broth is a typical difficult *** this work,the performance of 200 ionic liquids(ILs),formed by combining 25 cations and 8 anions,in the extraction of PDA from aqueous solution were evaluated using COSMO-RS *** extraction mechanism was investigated with the help ofσ-profile and interaction energy *** the cation and anion have impacts on the extraction efficiency,where cation mainly influences the interaction of IL with PDA and anion affects the hydrophobicity of *** IL composed of long alkyl-chain in cation and the anion of[PF6]-or[TF2 N]-,which has theσ-profile more likely distributed in the nonpolar region but less distributed in the polar region,is favorable for *** experimental liquid-liquid equilibrium demonstrated the effects of cation and anion on extraction performance,which validated the reliability of COSMO-RS model in IL screening for PDA *** IL[IM-1,8][PF6]could serve as a promising extractant for the downstream separation process of the biological production of PDA.

关键词： 1,5-Pentanediamine Ionic liquids Aqueous solution Extraction COSMO-RS model

Improvement of Ductility of Powder Metallurgy Titanium Alloys by Addition of Rare Earth Element

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Journal of Materials Science & Technology 2006年第4期22卷 465-469页

作者： Yong LIU lifang chen Weifeng WEI Huiping TANG Bin LIU Baiyun HUANG State Key Laboratory of Powder Metallurgy Central South University Changsha 410083 China Northwest Institute of Nonferrous Metals Research Xi＇an 710016 China

Ti-4.5Al-6.0Mo-1.5Fe, Ti-6Al-1Mo-1Fe and Ti-6Al-4V alloys were prepared by blended elemental powder metallurgy （PM） process, and the effects of Nd on the microstructures and mechanical properties were investigated by scanning electron microscopy （SEM）, transmission electron microscopy （TEM） and X-ray diffraction （XRD）. It was found out that the addition of Nd increased the density of sintered titanium alloys slightly by a maximum increment of 1% because small amount of liquid phase occurred during sintering. The addition of Nd shows little effect on the improvement of tensile strength, while the elongation is significantly improved. For example, the elongation of ***-6.0Mo-1.5Fe can be increased from 1% without addition of Nd to 13% at a Nd content of 1.2 wt pct.

关键词： Powder metallurgy titanium alloy Mechanical properties Microstructure Rare earth element

Efficient Knoevenagel condensation catalyzed by imidazole-based halogenfree deep eutectic solvent at room temperature

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Green Energy & Environment 2020年第2期5卷 124-129页

作者： Hao Qin Yishan Zhou Qian Zeng Hongye cheng lifang chen Bingjian Zhang Zhiwen Qi Max Planck Partner Group at the State Key Laboratory of Chemical Engineering School of Chemical EngineeringEast China University of Science and Technology130 Meilong RoadShanghai200237China School of Chemical Engineering and Technology Sun Yat-Sen University135 Xingang West RoadGuangzhou510275China

For the first time,we employed the halogen-free deep eutectic solvent(DES)into the Knoevenagel condensation between aromatic aldehydes and active methylene compounds at room *** DESs[3Im:PTSA]and[4Im:PTSA]were prepared by imidazole(Im)and p-tol-uenesulfonic acid(PTSA),which were experimentally screened from a series of organic acids with imidazole.a,b-Unsaturated carbonyl compounds were obtained in good to excellent yields under solvent-free conditions with fast reaction *** two DESs can be reused for multiple times with no loss of catalytic activity.

关键词： Halogen-free DES Knoevenagel condensation Room temperature Recyclable catalyst Solvent-free condition