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including double antibiotic scaffolds: synthesis, simulation and adsorption for anticorrosion effect on mildsteel

《化学科学与工程前沿（英文）》 2023年 第17卷 第2期   页码 167-182 doi: 10.1007/s11705-022-2199-2

摘要： In this study, two novel environmental benign double antibiotic norfloxacin or ciprofloxacin scaffolds included branched molecules were prepared by multi-step routes and purified by simple performance, which were used as the target compounds (TCs). Meanwhile, a single norfloxacin or ciprofloxacin skeleton based molecules were synthesized as the reference compounds (RCs). The molecular geometry optimization and material simulation computation revealed that TCs presented smaller HOMO-LUMO energy gaps and larger binding energy levels on mild steel surface than RCs. The chemical adsorption of TCs on steel surface was confirmed by X-ray photoelectron spectroscopy, which could be processed by TCs chelation with iron ions. It was shown that TCs could be self-adsorbed on steel surface, which was demonstrated by atomic force microscopy and scanning electron microscopy. The anticorrosion of the studied compounds for mild steel in HCl solution was investigated by electrochemistry analysis. The results suggested that the anticorrosion efficiency could reach 95.86% (TC1) and 97.05% (TC2) at 0.050 mmol·L−1 based on electrochemical impedance spectroscopy, which were much better than RCs (RC1, 69.23%; RC2, 74.16%). The adsorption isotherms of TCs on steel were further fitted, and a deep insight on adsorption was discussed.

关键词： branched compounds     floxacin scaffold     mild steel     anticorrosion     environmentally benign    

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Prediction of cyclic large plasticity for prestrained structural steel using only tensile coupon tests

Liang-Jiu JIA, Tsuyoshi KOYAMA, Hitoshi KUWAMURA

《结构与土木工程前沿（英文）》 2013年 第7卷 第4期   页码 466-476 doi: 10.1007/s11709-013-0219-5

摘要： Cold-formed steel members, which experience complicated prestrain histories, are frequently applied in structural engineering. This paper aims to predict cyclic plasticity of structural steels with tensile and compressive prestrain. Monotonic and cyclic tests on hourglass specimens with tensile and compressive prestrain are conducted, and compared with numerical simulations using the Chaboche model. Two approaches are taken in the simulation. The first requires only the monotonic tensile test data from the prestrained steels, and the second requires both the monotonic tensile test data from the virgin steel and the prestrain histories. The first approach slightly overestimates the compressive stress for specimens with tensile prestrain, while the second approach is able to accurately predict the cyclic plasticity in specimens with tensile and compressive prestrain.

关键词： cyclic plasticity     prestrain     Chaboche model     mild steel    

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Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic

Abbas TEIMOURI, Nasrin SOLTANI, Alireza Najafi CHERMAHINI

《化学科学与工程前沿（英文）》 2011年 第5卷 第1期   页码 43-50 doi: 10.1007/s11705-010-0532-7

摘要： Mono and bis-4-methylpiperidiniummethyl urea were synthesized, characterized and used as new corrosion inhibitors of mild steel in the acidic media. Inhibitory effect of two compounds on mild steel surface in the 1 mol·L sulphuric acid has been studied by a series of techniques, such as potentiodynamic polarization, weight loss and quantum chemical calculation methods. Potentiodynamic polarization measurements showed that two inhibitors are mixed type. All measurements showed that inhibition efficiencies enhanced with increase of inhibitor concentration. This reveals that inhibitive actions of inhibitors were mainly due to adsorption on mild steel surface. Density functional (DFT) calculations have been carried out for the title compounds by performing HF and DFT levels of theory using the standard 6-31G* basis set.

关键词： corrosion inhibitors     mild steel     acidic medium     theoretical studies     DFT    

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Selective epoxidation of linear terminal olefins with metalloporphyrins under mild conditions

Xiaoguang BAI, Yuanbin SHE

《化学科学与工程前沿（英文）》 2009年 第3卷 第3期   页码 310-313 doi: 10.1007/s11705-009-0168-7

摘要： The epoxidation of linear terminal olefins with metalloporphyrins in the presence of dioxygen and isobutyraldehyde under ambient temperature and atmospheric pressure was investigated. The results show that all olefins could be smoothly converted to epoxides with high selectivities (70%-90%). For the metalloporphyrins with different catalytic activities within 1-hexene epoxidation in the order of Fe>Mn>Co, T( -Cl)PPFe(Ⅲ)Cl was most effective, with a 41.7% yield and 80.2% selectivity of 1,2-epoxyhexane. Various amounts of catalyst were investigated, and it was found that with only 10 ppm catalyst the yield of 1,2-epoxyhexane and turnover number (TON) could reach up to 41.9% and 41859, respectively.

关键词： metalloporphyrins     olefins     dioxygen     epoxidation    

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Solvent-free mechanochemical mild oxidation method to enhance adsorption properties of chitosan

《环境科学与工程前沿（英文）》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1416-4

摘要：

• Solvent-free chitosan oxidation is obtained by rapid mechanochemical reaction.

关键词： Chitosan     High energy ball milling     Mechanochemistry     Oxidation    

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Controllable synthesis of a large TS-1 catalyst for clean epoxidation of a C=C double bond under mild

《化学科学与工程前沿（英文）》 2023年 第17卷 第6期   页码 772-783 doi: 10.1007/s11705-022-2280-x

摘要： Development of a titanium silicalite-1 (TS-1) catalyst with good crystallinity and a four-coordinate Ti framework is critical for efficient catalytic oxidation reaction under mild conditions. Herein, a size-controlled TS-1 zeolite (TS-1#0.1ACh (acetylcholine)) was synthesized via steam-assisted crystallization by introducing acetylcholine as a crystal growth modifier in the preparation process, and TS-1#0.1ACh was also employed in epoxidations of different substrates containing C=C double bonds. The crystalline sizes of the as-synthesized TS-1#0.1ACh catalysts were controlled with the acetylcholine content, and characterization results showed that the particle sizes of highly crystalline TS-1#0.1ACh zeolite reached 3.0 μm with a good Ti framework. Throughout the synthetic process, the growth rate of the crystals was accelerated by electrostatic interactions between the connected hydroxyl groups of the acetylcholine modifier and the negatively charged skeleton of the pre-zeolites. Furthermore, the TS-1#0.1ACh catalyst demonstrated maximum catalytic activity, good selectivity and high stability during epoxidation of allyl chloride. Importantly, the TS-1#0.1ACh catalyst was also highly versatile and effective with different unsaturated substrates. These findings may provide novel, easily separable and large TS-1 catalysts for efficient and clean industrial epoxidations of C=C double bonds.

关键词： size-controlled TS-1     crystal modifier     steam-assisted crystallization     epoxidation    

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Regenerative braking control strategy in mild hybrid electric vehicles equipped with automatic manual

QIN Datong, YE Ming, LIU Zhenjun

《机械工程前沿（英文）》 2007年 第2卷 第3期   页码 364-369 doi: 10.1007/s11465-007-0064-0

摘要： The actual regenerative braking force of an integrated starter/generator (ISG), which is varied with desired braking deceleration and vehicle speed, is calculated based on an analysis of the required deceleration, maximum braking force of ISG, engine braking force and state of charge (SOC) of battery. Braking force distribution strategies are presented according to the actual regenerative braking force of ISG. To recover the vehicle s kinetic energy maximally, braking shift rules for a mild hybrid electric vehicle (HEV) equipped with automatic manual transmission (AMT) are brought forward and effects of transmission ratios are considered. A test-bed is built up and regenerative braking tests are carried out. The results show that power recovered by the braking shift rules is more than that recovered by the normal braking control rules.

关键词： SOC     Braking     battery     regenerative braking     starter/generator    

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Liquid discharge plasma for fast biomass liquefaction at mild conditions: The effects of homogeneous

Sen Wang, Shiyun Liu, Danhua Mei, Rusen Zhou, Congcong Jiang, Xianhui Zhang, Zhi Fang, Kostya (Ken) Ostrikov

《化学科学与工程前沿（英文）》 2020年 第14卷 第5期   页码 763-771 doi: 10.1007/s11705-019-1896-y

摘要： Non-thermal plasma exhibits unique advantages in biomass conversion for the sustainable production of higher-value energy carriers. Different homogeneous catalysts are usually required for plasma-enabled biomass liquefaction to achieve time-and energy-efficient conversions. However, the effects of such catalysts on the plasma-assisted liquefaction process and of the plasma on those catalysts have not been thoroughly studied. In this study, an electrical discharge plasma is employed to promote the direct liquefaction of sawdust in a mixture of polyethylene glycol 200 and glycerol. Three commonly used chemicals, sulfuric acid, nitric acid and sodium -toluene sulfate, were selected as catalysts. The effects of the type of catalyst and concentration on the liquefaction yield were examined; further, the roles of the catalysts in the plasma liquefaction process have been discussed. The results showed that the liquefaction yield attains a value of 90% within 5 min when 1% sulfuric acid was employed as the catalyst. Compared with the other catalysts, sulfuric acid presents the highest efficiency for the liquefaction of sawdust. It was observed that hydrogen ions from the catalyst were primarily responsible for the significant thermal effects on the liquefaction system and the generation of large quantities of active species; these effects directly contributed to a higher efficacy of the plasma-enabled liquefaction process.

关键词： discharge plasma     biomass liquefaction     catalyst     homogeneous catalysts    

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抛物形缓坡方程的数值研究

沈永明,郑永红,吴修广

《中国工程科学》 2004年 第6卷 第3期   页码 30-35

摘要：

对2种典型的抛物形缓坡方程进行比较系统的数值研究。通过对4种典型地形上的波浪变形的数值模拟，详细讨论了网格节点数对数值解精度的影响、模型对初始入射角的敏感程度、非线性项对数值结果的影响等。研究结果可为实际应用抛物形缓坡方程研究大区域复杂地形上的波浪传播提供一定的理论指导。

关键词： 抛物形缓坡方程     数值研究     波浪    

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双曲型缓坡方程的数值求解

唐军,沈永明,邱大洪

《中国工程科学》 2007年 第9卷 第4期   页码 70-74

摘要：

双曲型缓坡方程是研究波浪在近岸缓坡区域传播变形的一种有效波浪数学模型。对Madsen和Larsen 提出的双曲型缓坡方程进行了数值模拟，数值模拟中采用时间层同步空间层交错的有限差分格式对双曲型缓坡 方程进行数值离散，并结合两个典型算例对所采用的数值模型进行验证。数值计算的结果表明，该数值模型可 有效地应用于双曲型缓坡方程的数值求解。

关键词： 波浪模型     双曲型缓坡方程     数值模拟    

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Efficient dechlorination of 2,4-dichlorophenol in an aqueous media with a mild pH using a Pd/TiO

Jiangkun DU,Jianguo BAO,Wei HU

《环境科学与工程前沿（英文）》 2015年 第9卷 第5期   页码 919-928 doi: 10.1007/s11783-015-0794-x

摘要： In this study, palladium-loaded titania nanotubes was fabricated on a titanium plate (Pd/TiO NTs/Ti) for efficient electrodechlorination of 2,4-chlorophenol with a mild pH condition. The nature of Pd/TiO NTs/Ti electrodes was characterized by field-emission scanning electron microscope (FESEM), X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), and cyclic voltammetry (CV) techniques. The characterization results indicated the generation of Pd nanoparticles which were evenly dispersed on titania nanotubes arrays on the Pd/TiO NTs/Ti surface. An effective degradation efficiency of up to 91% was achieved within 60 min at cathode potential of −0.7 V ( SCE) and initial pH of 5.5. The effects of the applied cathode potential and initial pH on the degradation efficiency were studied. A near neutral condition was more favorable since very low and very high pHs were not conducive to the dechlorination process. Furthermore, the intermediates analysis showed that the Pd/TiO NTs/Ti electrode could completely remove chlorine from 2, 4-dichlorophenol since only phenol was detected as the byproduct and the concentration of released chlorine ions indicated near-complete dechlorination. This work presents a good alternative technique for eliminating persistent chlorophenols in polluted wastewater without maintaining strong acidic environment.

关键词： Pd/TiO2NTs/Ti cathode     chlorophenols     electrocatalytic dechlorination     wastewater treatment    

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glycol-supported ionic liquid as a highly efficient catalyst for the synthesis of propylene carbonate under mild

Rui YAO, Hua WANG, Jinyu HAN

《化学科学与工程前沿（英文）》 2012年 第6卷 第3期   页码 239-245 doi: 10.1007/s11705-012-1297-y

摘要： The coupling reaction of propylene and CO to form propylene carbonate (PC) was promoted by an ionic liquid (IL) covalently bound to polyethylene glycol (PEG). The supported ionic liquid, which has both acidic and basic components, proved to be an active catalyst for PC synthesis under mild conditions. The effects of different cations and anions, reaction temperature, CO pressure, and reaction time were investigated. It was demonstrated that the acid group in the catalyst plays an important role in the reaction. With this system, a high PC yield (95%) was achieved under mild conditions (3.0 MPa, 120°C and 4 h) without a co-solvent. In addition, the catalyst was readily recovered and reused. Based on the experimental results, a plausible mechanism for the catalyst was proposed.

关键词： ionic liquid     PEG-supported ionic liquid     carbon dioxide     propylene carbonate    

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中国钢桥

潘际炎

《中国工程科学》 2007年 第9卷 第7期   页码 18-26

摘要：

介绍了我国钢桥的发展及国内外的钢桥比较；论述了建造钢桥的钢材及其要求的化学成分和物理力学性能。

关键词： 中国钢桥     钢材     钢桥设计     钢桥结构    

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On braced trapezoidal corrugated steel shear panels: An experimental and numerical study

《结构与土木工程前沿（英文）》 2023年 第17卷 第3期   页码 396-410 doi: 10.1007/s11709-023-0934-5

摘要： In this study, a new system consisting of a combination of braces and steel infill panels called the braced corrugated steel shear panel (BCSSP) is presented. To obtain the hysteretic behavior of the proposed system, the quasi-static cyclic performances of two experimental specimens were first evaluated. The finite element modeling method was then verified based on the obtained experimental results. Additional numerical evaluations were carried out to investigate the effects of different parameters on the system. Subsequently, a relationship was established to estimate the buckling shear strength of the system without considering residual stresses. The results obtained from the parametric study indicate that the corrugated steel shear panel (CSSP) with the specifications of a = 30 mm, t = 2 mm, and θ = 90° had the highest energy dissipation capacity and ultimate strength while the CSSP with the specifications of a = 30 mm, t = 2 mm, and θ = 30° had the highest initial stiffness. It can thus be concluded that the latter CSSP has the best structural performance and that increasing the number of corrugations, corrugation angle, and plate thickness and decreasing the sub-panel width generally enhance the performance of CSSPs in terms of the stability of their hysteretic behaviors.

关键词： trapezoidal corrugated plate     steel shear panel     braced steel shear panel     experimental study     buckling resistance.    

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宝钢纯净钢生产技术的进步

崔健,郑贻裕,朱立新

《中国工程科学》 2005年 第7卷 第6期   页码 21-26

摘要：

论述了钢中碳、氮、氧、磷、硫以及夹杂物控制方面的技术进步，讨论了IF钢、管线钢所达到的纯净度纵使水平。

关键词： 宝钢     纯净钢     IF钢     管线钢     炼钢    

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标题 作者 时间 类型 操作

including double antibiotic scaffolds: synthesis, simulation and adsorption for anticorrosion effect on mildsteel

期刊论文

Prediction of cyclic large plasticity for prestrained structural steel using only tensile coupon tests

Liang-Jiu JIA, Tsuyoshi KOYAMA, Hitoshi KUWAMURA

期刊论文

Synthesis of mono and bis-4-methylpiperidiniummethyl-urea as corrosion inhibitors for steel in acidic

Abbas TEIMOURI, Nasrin SOLTANI, Alireza Najafi CHERMAHINI

期刊论文

Selective epoxidation of linear terminal olefins with metalloporphyrins under mild conditions

Xiaoguang BAI, Yuanbin SHE

期刊论文

Solvent-free mechanochemical mild oxidation method to enhance adsorption properties of chitosan

期刊论文

Controllable synthesis of a large TS-1 catalyst for clean epoxidation of a C=C double bond under mild

期刊论文

Regenerative braking control strategy in mild hybrid electric vehicles equipped with automatic manual

QIN Datong, YE Ming, LIU Zhenjun

期刊论文

Liquid discharge plasma for fast biomass liquefaction at mild conditions: The effects of homogeneous

Sen Wang, Shiyun Liu, Danhua Mei, Rusen Zhou, Congcong Jiang, Xianhui Zhang, Zhi Fang, Kostya (Ken) Ostrikov

期刊论文

抛物形缓坡方程的数值研究

沈永明,郑永红,吴修广

期刊论文

双曲型缓坡方程的数值求解

唐军,沈永明,邱大洪

期刊论文

Efficient dechlorination of 2,4-dichlorophenol in an aqueous media with a mild pH using a Pd/TiO

Jiangkun DU,Jianguo BAO,Wei HU

期刊论文

glycol-supported ionic liquid as a highly efficient catalyst for the synthesis of propylene carbonate under mild

Rui YAO, Hua WANG, Jinyu HAN

期刊论文

中国钢桥

潘际炎

期刊论文

On braced trapezoidal corrugated steel shear panels: An experimental and numerical study

期刊论文

宝钢纯净钢生产技术的进步

崔健,郑贻裕,朱立新

期刊论文