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三峡工程 3

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Solvability and thermal response of cellulose with different crystal configurations

Qian CHEN, Kai ZHENG, Qingtao FAN, Kun WANG, Haiyan YANG, Jianxin JIANG, Shijie LIU

《工程管理前沿（英文）》 2019年 第6卷 第1期   页码 62-69 doi: 10.1007/s42524-019-0001-z

摘要：

Cellulose is a biodegradable and renewable natural material that it is naturally resistant to breaking and modification. Moreover, the crystalline structure of cellulose is a major factor restricting its industrial utilization. In this study, cellulose polymorphs were prepared from natural cellulose, and their solvability and thermal response were investigated. Using liquid- and solid-state NMR signals, the distinct types and dissolving states of cellulose polymorphs were identified. The thermal behavior of the polymorphic forms of cellulose-d was also evaluated, and cellulose II exhibited the poorest thermal stability and a unique exothermic reaction.

关键词： cellulose     crystal structure     thermal response     XRD     CP/MAS 13C NMR    

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Phylogenetic diversity of NO reductases, new tools for monitoring, and insights into NO production in natural and engineered environments

《环境科学与工程前沿（英文）》 2022年 第16卷 第10期 doi: 10.1007/s11783-022-1562-3

摘要：

● 548 representative nor genes were collected to create complete phylogenetic trees.

关键词： N2O     Greenhouse gas     NO reductase     NO dismutase     Primer     Crystal structure    

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Dynamic modulation performance of ferroelectric liquid crystal polarization rotators and Mueller matrix

Song ZHANG, Lelun WANG, Anze YI, Honggang GU, Xiuguo CHEN, Hao JIANG, Shiyuan LIU

《机械工程前沿（英文）》 2020年 第15卷 第2期   页码 256-264 doi: 10.1007/s11465-019-0573-7

摘要： A ferroelectric liquid crystal polarization rotator (FLCPR) has been widely used in polarization measurement due to its fast and stable modulation characteristics. The accurate characterization of the modulation performance of FLCPR directly affects the measurement accuracy of the instrument based on liquid crystal modulation. In this study, FLCPR is accurately characterized using a self-developed high-speed Stokes polarimeter. Strong linear and weak circular birefringence are observed during modulation processes, and all the optical parameters of FLCPR are dependent on driving voltage. A dual FLCPR-based Mueller matrix polarimeter is designed on the basis of the Stokes polarimeter. The designed polarimeter combines the advantages of the high modulation frequency of FLCPR and the ultrahigh temporal resolution of the fast polarization measurement system in the Stokes polarimeter. The optimal configuration of the designed polarizer is predicted in accordance with singular value decomposition. A simulated thickness measurement of a 24 nm standard SiO thin film is performed using the optimal configuration. Results show that the relative error in thickness measurement caused by using the unsatisfactory modulation characteristics of FLCPR reaches up to −4.34%. This finding demonstrates the importance of the accurate characterization of FLCPR in developing a Mueller matrix polarizer.

关键词： ferroelectric liquid crystal polarization rotator (FLCPR)     dual liquid crystal Mueller matrix polarizer     design and optimization    

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费托合成催化剂的尺寸与晶相效应

Liu Jin-Xun,Wang Peng,Xu Wayne,Hensen Emiel J. M.

《工程（英文）》 2017年 第3卷 第4期   页码 467-476 doi: 10.1016/J.ENG.2017.04.012

摘要：

费托合成（FTS）是近年来越发重要的能源转化途径，它可将一氧化碳和氢气的合成气转化为液态燃料和化学品，合成气的原料来自煤炭、天然气或生物质。在费托合成反应中，分散的过渡金属纳米粒子作为催化剂，用于催化以碳- 碳键生成为基础的反应。催化剂的催化活性和选择性与纳米粒子的电子结构和几何结构密切相关，具体取决于纳米粒子的尺寸、形态和晶相。在本文中，我们将回顾近期关于费托合成反应催化剂的体相和表面敏感性方面的工作。通过深入理解以上参数对不同催化剂行为的影响，有助于指导设计开发出更高活性、稳定性以及更优选择性的催化剂。

关键词： 费托合成     Fe、Co、Ru 碳化物     尺寸效应     晶相结构    

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Research progress on ultra-precision machining technologies for soft-brittle crystal materials

Hang GAO,Xu WANG,Dongming GUO,Yuchuan CHEN

《机械工程前沿（英文）》 2017年 第12卷 第1期   页码 77-88 doi: 10.1007/s11465-017-0411-8

摘要：

Soft-brittle crystal materials are widely used in many fields, especially optics and microelectronics. However, these materials are difficult to machine through traditional machining methods because of their brittle, soft, and anisotropic nature. In this article, the characteristics and machining difficulties of soft-brittle and crystals are presented. Moreover, the latest research progress of novel machining technologies and their applications for soft-brittle crystals are introduced by using some representative materials (e.g., potassium dihydrogen phosphate (KDP), cadmium zinc telluride (CZT)) as examples. This article reviews the research progress of soft-brittle crystals processing.

关键词： brittle     soft     functional crystal     ultra-precision machining    

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The effect of hierarchical single-crystal ZSM-5 zeolites with different Si/Al ratios on its pore structure

Yuexin Hou, Xiaoyun Li, Minghui Sun, Chaofan Li, Syed ul Hasnain Bakhtiar, Kunhao Lei, Shen Yu, Zhao Wang, Zhiyi Hu, Lihua Chen, Bao-Lian Su

《化学科学与工程前沿（英文）》 2021年 第15卷 第2期   页码 269-278 doi: 10.1007/s11705-020-1948-3

摘要： Hierarchical single-crystal ZSM-5 zeolites with different Si/Al ratios (Hier-ZSM-5- , where = 50, 100, 150 and 200) were synthesized using an ordered mesoporous carbon-silica composite as hard template. Hier-ZSM-5- exhibits improved mass transport properties, excellent mechanical and hydrothermal stability, and higher catalytic activity than commercial bulk zeolites in the benzyl alcohol self-etherification reaction. Results show that a decrease in the Si/Al ratio in hierarchical single-crystal ZSM-5 zeolites leads to a significant increase in the acidity and the density of micropores, which increases the final catalytic conversion. The effect of porous hierarchy on the diffusion of active sites and the final catalytic activity was also studied by comparing the catalytic conversion after selectively designed poisoned acid sites. These poisoned Hier-ZSM-5- shows much higher catalytic conversion than the poisoned commercial ZSM-5 zeolite, which indicates that the numerous intracrystalline mesopores significantly reduce the diffusion path of the reactant, leading to the faster diffusion inside the zeolite to contact with the acid sites in the micropores predominating in ZSM-5 zeolites. This study can be extended to develop a series of hierarchical single-crystal zeolites with expected catalytic performance.

关键词： hierarchical zeolites     single crystalline     interconnected pores     improved diffusion performance     benzyl alcohol self-etherification reaction    

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Crystal modification of rifapentine using different solvents

Kun ZHOU, Jun LI, Jianhong LUO, Dongsheng ZHENG,

《化学科学与工程前沿（英文）》 2010年 第4卷 第1期   页码 65-69 doi: 10.1007/s11705-009-0302-6

摘要： Rifapentine crystals with different habits were prepared by recrystallization from selected solvents, such as methanol, ethanol, chloroform, and acetic acid. Scanning electron microscopy, X-ray powder diffractometry, infrared spectrometry, and differential scanning calorimetry were used to investigate the physicochemical characteristics of the prepared crystals. The comparative dissolution behaviors of the newly developed crystals and of rifapentine without being treated were also studied. Results show that the newly developed crystals were different from each other with respect to physical properties but were identical chemically. Needle-shaped crystals were obtained from methanol, ethanol, and chloroform solvents, and the block-shaped crystals were obtained from acetic acid solvent. X-ray diffraction spectra and differential scanning calorimetry investigation on those developed crystals clearly indicate that rifapentine has different crystal structure modification. When the crystal was obtained from acetic acid, the change of crystal habit was originated from the crystal structure modification. The dissolution rate of newly developed crystals was found to be higher than that of rifapentine without being treated. However, the modified crystal obtained from acetic acid shows the lower dissolution rate than crystals obtained from other solvents.

关键词： identical     scanning calorimetry     different     comparative dissolution     structure modification    

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Crystal-to-crystal transformation from the triclinic to the cubic crystal system by partial desolvation

Qianqian Guo, Irmgard Kalf, Ulli Englert

《化学科学与工程前沿（英文）》 2018年 第12卷 第3期   页码 433-439 doi: 10.1007/s11705-018-1743-6

摘要：

Diffusion reaction of the labile building block Mg(acacCN)2 (acacCN= 3-cyanoacetylacetonate) with silver salts leads to a series of solvated Mg/Ag bimetallic coordination polymers with composition [Mg(acacCN)3Ag]·solvent. Despite their common stoichiometry, the topology of these polymers depends on the solvent of crystallization. The two-dimensional coordination compound [Mg(acacCN)3Ag]·4CHCl3 in space group P1‾ is obtained as platelet-shaped crystals from a mixture of methanol and chloroform. When kept in the reaction mixture, these thin plates within one week convert to isometric tetrahedral crystals of the 3D network [Mg(acacCN)3Ag]·2CHCl3 in the cubic space group P213. The transformation reaction proceeds via dissolution and recrystallization. The co-crystallized solvent molecules play an important role for stabilizing the target structure: They subtend Cl···Cl contacts and interact via non-classical C–H···O hydrogen bonds with the coordination framework. In the new cubic coordination network, both Mg(II) and Ag(I) adopt octahedral coordination, with unprecedented face-sharing by bridging O atoms of three acetylacetonato moieties. Prolonged standing of [Mg(acacCN)3Ag]·2CHCl3 in the reaction medium leads to further degradation, under formation of [Ag(acacCN)].

关键词： ditopic ligand     substituted acetylacetone     desolvation     diffraction    

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DyFe11Ti磁结构及其自旋重取向的中子衍射研究 Article

Olivier Isnard, Eder J. Kinast

《工程（英文）》 2020年 第6卷 第2期   页码 153-157 doi: 10.1016/j.eng.2019.11.009

摘要：

本文报道了通过中子粉末衍射探测DyFe11Ti的磁结构及其热演化规律。使用了变温中子衍射技术来测量磁矩及其取向的温度依赖性。Dy和Fe磁矩以反向平行的方式形成亚铁磁性耦合，其2 K时的易磁化方向是基面(a, b)内的[110]轴。随着温度的升高，该磁结构先后经历了两次自旋重取向现象。低温下，Dy磁矩较大，达到9.7μB，而在200 K时磁矩迅速下降到7.5μB。在Fe 8i位置观察到了最大的Fe磁矩。尽管磁结构发生了很大的变化，但在研究的温度范围内ThMn12型晶体结构一直保持不变。在第一阶段的自旋重取向温度（TSR1）时，观察到了易磁化轴的急剧倾斜；易磁化轴与晶体c轴之间的夹角从2 K的90°减小到200 K时的约20°（其中c轴是200 K以上的易磁化轴）；同时Dy和Fe磁矩保持反向平行耦合。

关键词： 中子衍射，磁相图，晶体结构    

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Microstructure and electrical properties of NaNbO

Shihui XIE, Kongjun ZHU, Jinhao QIU, Hua GUO

《机械工程前沿（英文）》 2009年 第4卷 第3期   页码 345-349 doi: 10.1007/s11465-009-0050-9

摘要： Lead-free piezoelectric ceramics (1- )NaNbO - BaTiO have been fabricated by a traditional ceramic sintering technique. The effects of BaTiO (BT) synthesized by hydrothermal method on crystal structure, density, dielectric, piezoelectric, and electromechanical properties were investigated. Results show that the phase structure transforms from the orthorhombic phase to the tetragonal phase with the increase of the content of BT, and the two phases co-exist when 0.08< ≤0.10. However, the optimum composition for (1- )NaNbO - BaTiO ceramics is 0.90NaNbO -0.10BaTiO . The 0.90NaNbO -0.10BaTiO ceramics sintered at 1250°C have higher properties: piezoelectric constant of 120 pC/N, dielectric constant of 718, planar electromechanical coupling factor of 24%, planar frequency of 3 MHz·mm, and the mechanical quality factor of 138, respectively. The results show that the (1- )NaNbO - BaTiO ceramics is one of the promising lead-free materials for high-frequency applications.

关键词： Lead-free piezoelectric ceramics     NaNbO3-BaTiO3     piezoelectricity     ceramics     crystal structure     microstructure    

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Effect of hierarchical ZSM-5 zeolite crystal size on diffusion and catalytic performance of n-heptane

Shuman Xu, Xiaoxiao Zhang, Dangguo Cheng, Fengqiu Chen, Xiaohong Ren

《化学科学与工程前沿（英文）》 2018年 第12卷 第4期   页码 780-789 doi: 10.1007/s11705-018-1733-8

摘要： Hierarchical ZSM-5 zeolite aggregates with different sizes of nanocrystals were synthesized using different amounts of the mesoporogen 3-aminopropyltriethoxysilane. The effect of the crystal size on the catalytic cracking of -heptane was investigated and the Thiele modulus and effectiveness factor were used to determine the reaction rate-limiting step. The crystal size affected the textual properties of the catalysts but not the acidic properties of the catalysts. The reaction rate was first order with respect to the -heptane concentration. Cracking over hierarchical zeolites with nanocrystal sizes larger than about 50 nm took place under transition-limiting conditions, whereas the reaction over hierarchical zeolites with nanocrystal sizes of 15 or 30 nm proceeded under reaction control conditions. Hierarchical ZSM-5 zeolite aggregates with smaller nanocrystals had better selectivity for light olefins which can be ascribed to the shorter diffusion path lengths and lower diffusion resistance in these catalysts. Furthermore, these catalysts had lower coking levels which can be attributed to the substantial number of mesopores which prevent the formation of coke precursors.

关键词： hierarchical ZSM-5     crystal size     catalytic cracking     Thiele modulus     effectiveness factor    

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Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1503-1515 doi: 10.1007/s11705-022-2294-4

摘要： In this work, the influence of the initial chemical potential gradient, stirring speed, and polymer type on sulfamethoxazole (SMX) crystal growth kinetics was systematically investigated through density functional theory (DFT) calculations, experimental measurements and the two-step chemical potential gradient model. To investigate the influence of different conditions on the thermodynamic driving force of SMX crystal growth, SMX solubilities in different polymer solutions were studied. Four model polymers effectively improved SMX solubility. It was further found that polyvinylpyrrolidone (PVP) and hydroxypropyl methyl cellulose (HPMC) played a crucial role in inhibiting SMX crystal growth. However, polyethylene glycol (PEG) promoted SMX crystal growth. The effect of the polymer on the crystal growth mechanisms of SMX was further analyzed by the two-step chemical potential gradient model. In the system containing PEG 6000, crystal growth is dominated by the surface reaction. However, in the system containing PEG 20000, crystal growth is dominated by both the surface reaction and diffusion. In addition, DFT calculations results showed that HPMC and PVP could form strong and stable binding energies with SMX, indicating that PVP and HPMC had the potential ability to inhibit SMX crystal growth.

关键词： insoluble drugs     polymer     inhibition crystallization     crystal growth kinetics     DFT calculations    

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Novel casting processes for single-crystal turbine blades of superalloys

Dexin MA

《机械工程前沿（英文）》 2018年 第13卷 第1期   页码 3-16 doi: 10.1007/s11465-018-0475-0

摘要：

This paper presents a brief review of the current casting techniques for single-crystal (SC) blades, as well as an analysis of the solidification process in complex turbine blades. A series of novel casting methods based on the Bridgman process were presented to illustrate the development in the production of SC blades from superalloys. The grain continuator and the heat conductor techniques were developed to remove geometry-related grain defects. In these techniques, the heat barrier that hinders lateral SC growth from the blade airfoil into the extremities of the platform is minimized. The parallel heating and cooling system was developed to achieve symmetric thermal conditions for SC solidification in blade clusters, thus considerably decreasing the negative shadow effect and its related defects in the current Bridgman process. The dipping and heaving technique, in which thin-shell molds are utilized, was developed to enable the establishment of a high temperature gradient for SC growth and the freckle-free solidification of superalloy castings. Moreover, by applying the targeted cooling and heating technique, a novel concept for the three-dimensional and precise control of SC growth, a proper thermal arrangement may be dynamically established for the microscopic control of SC growth in the critical areas of large industrial gas turbine blades.

关键词： superalloy     investment casting     Bridgman process     directional solidification     single crystal     turbine blade    

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Polymorphism and crystal transformation of penicillin sulfoxide

Dingding JING, Yongli WANG, Zhijian CHEN, Lina ZHOU, Jingkang WANG

《化学科学与工程前沿（英文）》 2011年 第5卷 第4期   页码 442-447 doi: 10.1007/s11705-011-1140-x

摘要： Penicillin sulfoxide is the intermediate for the synthesis of 7-amino-3-desacetoxycephalosporanic acid which is one of the most important nucleuses of cephalosporin antibiotic. In this contribution, two crystal structures of penicillin sulfoxide (forms I and II) were determined by X-ray diffraction, and their thermotropic properties were investigated by differential scanning calorimetry (DSC). Furthermore, the transformation of form II to form I was studied quantitatively by Raman spectroscopy, and its rates at different temperatures were determined. The results indicate that penicillin sulfoxide is more stable as form I, and the temperature plays an important role in the crystal transformation.

关键词： penicillin sulfoxide     crystallization     polymorphism     crystal transformation     Raman spectroscopy    

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Solvates and polymorphs of clindamycin phosphate: Structural, thermal stability and moisture stability studies

Junbo Gong, Dejiang Zhang, Yuanyuan Ran, Keke Zhang, Shichao Du

《化学科学与工程前沿（英文）》 2017年 第11卷 第2期   页码 220-230 doi: 10.1007/s11705-017-1624-4

摘要： Clindamycin phosphate (CP), an antibacterial agent, has been reported to form several solid-state forms. The crystal structures of two CP solvates, a dimethyl sulfoxide (DMSO) solvate and a methanol/water solvate (solvate V), have been determined by single crystal X-ray diffraction. The properties and transformations of these forms were characterized by powder X-ray diffraction, Single-crystal X-ray diffraction, differential scanning calorimetry, thermo gravimetric analysis, hot-stage microscopy, and dynamic vapor sorption. Very different hydrogen bonding networks exist among the host-host and host-solvent molecules in the two crystal structures, resulting in different moisture stabilities. The thermal stabilities of the two solvates upon heating and desolvation were also studied. When the temperature was above the boiling point of methanol, solvate V converted to a polymorphic phase after a one step desolvation process, whereas the desolvation temperature of the DMSO solvate was below the boiling point of DMSO. At the relative humidity above 43%, the DMSO solvate transformed to a hydrate at 25 °C. In contrast, solvate V did not transform at any of the humidities studied.

关键词： clindamycin phosphate     solvate     crystal structure     thermal stability     moisture stability    

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标题 作者 时间 类型 操作

Solvability and thermal response of cellulose with different crystal configurations

Qian CHEN, Kai ZHENG, Qingtao FAN, Kun WANG, Haiyan YANG, Jianxin JIANG, Shijie LIU

期刊论文

Phylogenetic diversity of NO reductases, new tools for monitoring, and insights into NO production in natural and engineered environments

期刊论文

Dynamic modulation performance of ferroelectric liquid crystal polarization rotators and Mueller matrix

Song ZHANG, Lelun WANG, Anze YI, Honggang GU, Xiuguo CHEN, Hao JIANG, Shiyuan LIU

期刊论文

费托合成催化剂的尺寸与晶相效应

Liu Jin-Xun,Wang Peng,Xu Wayne,Hensen Emiel J. M.

期刊论文

Research progress on ultra-precision machining technologies for soft-brittle crystal materials

Hang GAO,Xu WANG,Dongming GUO,Yuchuan CHEN

期刊论文

The effect of hierarchical single-crystal ZSM-5 zeolites with different Si/Al ratios on its pore structure

Yuexin Hou, Xiaoyun Li, Minghui Sun, Chaofan Li, Syed ul Hasnain Bakhtiar, Kunhao Lei, Shen Yu, Zhao Wang, Zhiyi Hu, Lihua Chen, Bao-Lian Su

期刊论文

Crystal modification of rifapentine using different solvents

Kun ZHOU, Jun LI, Jianhong LUO, Dongsheng ZHENG,

期刊论文

Crystal-to-crystal transformation from the triclinic to the cubic crystal system by partial desolvation

Qianqian Guo, Irmgard Kalf, Ulli Englert

期刊论文

DyFe11Ti磁结构及其自旋重取向的中子衍射研究

Olivier Isnard, Eder J. Kinast

期刊论文

Microstructure and electrical properties of NaNbO

Shihui XIE, Kongjun ZHU, Jinhao QIU, Hua GUO

期刊论文

Effect of hierarchical ZSM-5 zeolite crystal size on diffusion and catalytic performance of n-heptane

Shuman Xu, Xiaoxiao Zhang, Dangguo Cheng, Fengqiu Chen, Xiaohong Ren

期刊论文

Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

期刊论文

Novel casting processes for single-crystal turbine blades of superalloys

Dexin MA

期刊论文

Polymorphism and crystal transformation of penicillin sulfoxide

Dingding JING, Yongli WANG, Zhijian CHEN, Lina ZHOU, Jingkang WANG

期刊论文

Solvates and polymorphs of clindamycin phosphate: Structural, thermal stability and moisture stability studies

Junbo Gong, Dejiang Zhang, Yuanyuan Ran, Keke Zhang, Shichao Du

期刊论文