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中国功能晶体研究进展 Review

王继扬,于浩海,吴以成,Robert Boughton

《工程（英文）》 2015年 第1卷 第2期   页码 192-210 doi: 10.15302/J-ENG-2015053

摘要：

功能晶体是现代科学技术发展的基础材料之一，在当前信息时代发挥着重要和关键的作用。本文总结了若干功能晶体的研究进展，综述了中国功能晶体的现状及重大成就和重要应用，讨论了功能晶体面临的挑战和机遇，提出了可能的发展方向。

关键词： 功能材料，激光晶体，非线性光学晶体，闪烁晶体， 弛豫型铁电晶体，半导体    

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Reactivity of triacetone triperoxide and diacetone diperoxide: Insights from nuclear Fukui function

Matthew J. SWADLEY, Panpan ZHOU, Tonglei LI

《化学科学与工程前沿（英文）》 2015年 第9卷 第1期   页码 114-123 doi: 10.1007/s11705-015-1507-5

摘要： Triacetone triperoxide (TATP) is more sensitive than diacetone diperoxide (DADP) in the solid-state explosion. To explain this reactivity difference, we analyzed the electronic structures and properties of the crystals of both compounds by using method to calculate the structures of their individual molecules as well as their lattice structures and particularly calculating Nuclear Fukui function to gain insight into the sensitivity of the initial, rate-determining step of their decomposition. Our results indicate that TATP and DADP crystal structures exhibit significantly different electronic properties. Most notably, the electronic structure of the TATP crystal shows asymmetry among its reactive oxygen atoms as supported by magnitudes of their nuclear Fukui functions. The greater explosion sensitivity of crystalline TATP may be attributed to the properties of its electronic structure. The electronic calculations provided valuable insight into the decomposition sensitivity difference between TATP and DADP crystals.

关键词： nuclear Fukui function     electronic perturbation     Hellmann-Feynman force     organic crystals     unimolecular decomposition    

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Synthesis of crystals and particles by crystallization and polymerization in droplet-based microfluidic

Jingtao WANG, Jin ZHANG, Junjie HAN,

《化学科学与工程前沿（英文）》 2010年 第4卷 第1期   页码 26-36 doi: 10.1007/s11705-009-0292-4

摘要： The recent advances in crystallization and polymerization assisted by droplet-based microfluidics to synthesize micro-particles and micro-crystals are reviewed in this paper. Droplet-based microfluidic devices are powerful tools to execute some precise controls and operations on the flow inside microchannels by adjusting fluid dynamics parameters to produce monodisperse emulsions or multiple-emulsions of various materials. Major features of this technique are producing particles of monodispersity to control the shape of particles in a new level, and to generate droplets of diverse materials including aqueous solutions, gels and polymers. Numerous microfluidic devices have been employed to generate monodisperse droplets of range from nm to μm, such as T junctions, flow-focusing devices and co-flow or cross-flow capillaries. These discrete, independently controllable droplets are ideal microreactors to be manipulated in the channels to synthesize the nanocrystals, protein crystals, polymer particles and microcapsules. The generated monodisperse particles or crystals are to meet different technical demands in many fields, such as crystal engineering, encapsulation and drug delivery systems. Microfluidic devices are promising tools in the synthesis of micron polymer particles that have diverse applications such as the photonic materials, ion-exchange and chromatography columns, and field-responsive rheological fluids. Processes assisted by microfluidic devices are able to produce the polymer particles (including Janus particles) with precise control over their sizes, size distribution, morphology and compositions. The technology of microfluidics has also been employed to generate core-shell microcapsules and solid microgels with precise controlled sizes and inner structures. The chosen “smart” materials are sensitive to an external stimulus such as the change of the pH, electric field and temperature. These complex particles are also able to be functionalized by encapsulating nanoparticles of special functions and by attaching some special groups like targeting ligands. The nucleation kinetics of some crystals like KNO was investigated in different microfluidic devices. Because of the elimination of the interactions among crystallites in bulk systems, using independent droplets may help to measure the nucleation rate more accurately. In structural biology, the droplets produced in microfluidic devices provide ideal platforms for protein crystallization on the nanoliter scale. Therefore, they become one of the promising tools to screen the optimal conditions of protein crystallization.

关键词： core-shell     monodisperse     nucleation     Microfluidic     different technical    

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Filtration ability of hollow fiber membrane for production of magnesium ammonium phosphate crystals by

H. Watamura, H. Marukawa, I. Hirasawa

《化学科学与工程前沿（英文）》 2013年 第7卷 第1期   页码 55-59 doi: 10.1007/s11705-013-1312-y

摘要： Relationship between magnesium ammonium phosphate (MAP) crystal properties and the filtration ability of hollow fiber membrane (HFM) were investigated. Phosphorus recovery process by crystallization has a problem that it produces a large amount of fine crystals. So improvement of the crystallization process by combining with filtration was discussed. MAP crystals were obtained by batch reaction crystallization and the filtration characteristics were investigated. The filtration was evaluated by the specific filtration resistance ( ) on HFM. Filtered slurry was prepared with each suspension density and crystal size distribution. The solution was filtered at constant pressure of 0.02 MPa and the filtration time on each filtrated volume was recorded. As a result, decreases exponentially with suspension density increasing from 0.25 g/L to 0.5 g/L and decreases moderately with suspension density increasing from 0.5 g/L to 1.5 g/L. of large crystals decreases exponentially at less suspension density than of small crystals does. Also, increases as the ratio of the fractured crystals increases.

关键词： membrane separation     crystallization     MAP    

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Acoustic fault signal extraction via the line-defect phononic crystals

《机械工程前沿（英文）》 2022年 第17卷 第1期   页码 10-10 doi: 10.1007/s11465-021-0666-y

摘要： Rotating machine fault signal extraction becomes increasingly important in practical engineering applications. However, fault signals with low signal-to-noise ratios (SNRs) are difficult to extract, especially at the early stage of fault diagnosis. In this paper, 2D line-defect phononic crystals (PCs) consisting of periodic acrylic tubes with slit are proposed for weak signal detection. The defect band, namely, the formed resonance band of line-defect PCs enables the incident acoustic wave at the resonance frequency to be trapped and enhanced at the resonance cavity. The noise can be filtered by the band gap. As a result, fault signals with high SNRs can be obtained for fault feature extraction. The effectiveness of weak harmonic and periodic impulse signal detection via line-defect PCs are investigated in numerical and experimental studies. All the numerical and experimental results indicate that line-defect PCs can be well used for extracting weak harmonic and periodic impulse signals. This work will provide potential for extracting weak signals in many practical engineering applications.

关键词： phononic crystals     line-defect     fault signal extraction     acoustic enhancement    

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Control of the agglomeration of crystals in the reactive crystallization of 5-(difluoromethoxy)-2-mercapto

Yongli WANG, Shuyuan MA, Xiaodong Lü, Chuang XIE

《化学科学与工程前沿（英文）》 2012年 第6卷 第4期   页码 423-431 doi: 10.1007/s11705-012-1211-7

摘要： 5-(Difluoromethoxy)-2-mercapto-1 -benzimidazole (DMB) was precipitated by adding acetic acid to the DMB sodium salt solution. The spherical agglomeration of DMB during the reactive crystallization in a batch crystallizer was monitored by real-time Particle Video Microscope (PVM). We found that the low feeding rate of acetic acid, high crystallization temperature, low agitation rate or adding seed crystal can facilitate the formation of spherical agglomerates. By using a simple model, the mean crystal agglomerate size of DMB thus predicted is generally in agreement with the experimental data. In addition, the crystallization process of DMB was optimized by a new control strategy of supersaturation to avoid disadvantages brought by agglomeration.

关键词： 5-(difluoromethoxy)-2-mercapto-1H-benzimidazole (DMB)     reactive crystallization     agglomeration     feeding rate     crystallization temperature     agitation rate    

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Hierarchical porous metal-organic frameworks/polymer microparticles for enhanced catalytic degradationof organic contaminants

《化学科学与工程前沿（英文）》 2022年 第16卷 第6期   页码 939-949 doi: 10.1007/s11705-022-2152-4

摘要： This work reports on a simple microfluidic strategy to controllably fabricate uniform polymeric microparticles containing hierarchical porous structures integrated with highly accessible catalytic metal organic frameworks for efficient degradation of organic contaminants. Monodisperse (W1/O)/W2 emulsion droplets generated from microfluidics are used as templates for the microparticle synthesis. The emulsion droplets contain tiny water microdroplets from homogenization and water nanodroplets from diffusion-induced swollen micelles as the dual pore-forming templates, and Fe-based metal-organic framework nanorods as the nanocatalysts. The obtained microparticles possess interconnected hierarchical porous structures decorated with highly accessible Fe-based metal-organic framework nanorods for enhanced degradation of organic contaminants via a heterogeneous Fenton-like reaction. Such a degradation performance is highlighted by using these microparticles for efficient degradation of rhodamine B in hydrogen peroxide solution. This work provides a simple and general strategy to flexibly combine hierarchical porous structures and catalytic metal-organic frameworks to engineer advanced microparticles for water decontamination.

关键词： metal-organic framework     polymer microparticle     nanocatalyst     decontamination     organic contaminant    

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Enhancing the adsorption function of biochar by mechanochemical graphitization for organic pollutant

《环境科学与工程前沿（英文）》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1418-2

摘要：

• Mechanochemical treatment reduced the calcination temperature for biochar synthesis.

关键词： Biochar     Mechanochemical treatment     Graphitization     Calcination temperature     Organic pollutant    

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光电子晶体与全固态激光器及其应用——光电子技术发展的一个重大方向

许祖彦

《中国工程科学》 1999年 第1卷 第2期   页码 72-77

摘要：

光电子时代是微电子技术、激光技术、材料科学等高速发展、综合集成的产物。20世纪90年代光电子晶体的长足进步和大功率半导体激光技术的突破，导致全固态激光器的实用化，这将促使光电子技术在21世纪前50年对更多的国家支柱产业作出重大贡献，如先进制造业的材料加工、信息业的光存储、娱乐业的激光显示、能源业的激光核聚变电站和核裂变燃料生产、军工业的激光武器升级换代等。

关键词： 光电子晶体     全固态激光器     材料加工     光存储     激光显示     激光核聚变    

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Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

《化学科学与工程前沿（英文）》 2022年 第16卷 第2期   页码 221-236 doi: 10.1007/s11705-021-2061-y

摘要： To study the dynamic behavior of a process, time-resolved data are collected at different time instants during each of a series of experiments, which are usually designed with the design of experiments or the design of dynamic experiments methodologies. For utilizing such time-resolved data to model the dynamic behavior, dynamic response surface methodology (DRSM), a data-driven modeling method, has been proposed. Two approaches can be adopted in the estimation of the model parameters: stepwise regression, used in several of previous publications, and Lasso regression, which is newly incorporated in this paper for the estimation of DRSM models. Here, we show that both approaches yield similarly accurate models, while the computational time of Lasso is on average two magnitude smaller. Two case studies are performed to show the advantages of the proposed method. In the first case study, where the concentrations of different species are modeled directly, DRSM method provides more accurate models compared to the models in the literature. The second case study, where the reaction extents are modeled instead of the species concentrations, illustrates the versatility of the DRSM methodology. Therefore, DRSM with Lasso regression can provide faster and more accurate data-driven models for a variety of organic synthesis datasets.

关键词： data-driven modeling     pharmaceutical organic synthesis     Lasso regression     dynamic response surface methodology    

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Construction of MOFs-based nanocomposite membranes for emerging organic contaminants abatement in water

《环境科学与工程前沿（英文）》 2023年 第17卷 第7期 doi: 10.1007/s11783-023-1689-x

摘要：

● Application of the MOF-composite membranes in adsorption was discussed.

关键词： Emerging organic contaminants     Metal organic frameworks     Synthesis     Adsorption     Catalysis    

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Characterization and comparison of organic functional groups effects on electrolyte performance for vanadium

《化学科学与工程前沿（英文）》 2023年 第17卷 第9期   页码 1221-1230 doi: 10.1007/s11705-023-2298-8

摘要： The vanadium redox flow battery with a safe and capacity-controllable large-scale energy storage system offers a new method for the sustainability. In this case, acetic acid, methane sulfonic acid, sulfonic acid, amino methane sulfonic acid, and taurine are used to overcome the low electrolyte energy density and stability limitations, as well as to investigate the effects of various organic functional groups on the vanadium redox flow battery. When compared to the pristine electrolyte (0.22 Ah, 5.0 Wh·L–1, 85.0%), the results show that taurine has the advantage of maintaining vanadium ion concentrations, discharge capacity (1.43 Ah), energy density (33.9 Wh·L–1), and energy efficiency (90.5%) even after several cycles. The acetic acid electrolyte is more conducive to the low-temperature stability of the V(II) electrolyte (177 h at −25 °C) than pristine (82 h at −2 °C). The –SO3H group, specifically the coaction of the –NH2 and –SO3H groups, improves electrolyte stability. The –NH2 and –COOH additive groups improved conductivity and electrochemical activity.

关键词： vanadium redox flow battery     functional groups     organic additives     energy density     stability    

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Exposure-response of Cr(III)-organic complexes to Saccharomyces cerevisiae

Nivedita CHATTERJEE, Zejiao LUO,

《环境科学与工程前沿（英文）》 2010年 第4卷 第2期   页码 196-202 doi: 10.1007/s11783-010-0008-5

摘要： Hexavalent chromium [Cr(VI)] bioreduction produces soluble Cr(III)-organic complexes. The Cr(III)-organic complexes are relatively stable once they are formed, and no data about their toxicity were reported. Therefore, this study aims to investigate the bioavailability and toxicity of the soluble Cr(III)-organic complexes. L-1 wild type yeast strain was chosen as the model organism and Cr(III)-citrate was selected as the representative compound of the Cr(III)-organic complexes. The short-term chronic aquatic toxicity tests of the Cr(III)-citrate was explored by measuring growth inhibition, direct viable cell count, dry biomass, biosorption, and the amount of CO production. Cr(III)-citrate exerted a toxicity of 51mg/L with an , which was calculated from the percent growth inhibition. These toxicity data would be helpful to define the toxic potential of the organo-chromium-III compounds in the environment.

关键词： Cr(III)-organic complexes     Saccharomyces cerevisiae     toxicity     EC50     bioavailability    

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Realization of energy-saving glass using photonic crystals

Yen-Hsiang CHEN, Li-Hung LIAO, Yu-Bin CHEN

《能源前沿（英文）》 2018年 第12卷 第1期   页码 178-184 doi: 10.1007/s11708-018-0523-9

摘要： This work successfully developed an energy-saving glass with wavelength selectivity. The glass is composed of a SiO substrate and two layers of three-dimensional photonic crystals. Each crystal is composed of identical and transparent polystyrene spheres after their self-assembling. The glass then possesses dual photonic band gaps in the near-infrared region to suppress penetration of thermal radiation. Experimental results show that the energy-saving glass decreases temperature increment in a mini-house. Moreover, the temperature after thermal equilibrium is lower than that inside a counterpart using ordinary glass.

关键词： energy-saving glass     photonic crystals     polystyrene spheres     self-assembly    

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Environmental effects and risk control of antibiotic resistance genes in the organic solid waste aerobic

《环境科学与工程前沿（英文）》 2021年 第15卷 第6期 doi: 10.1007/s11783-021-1415-5

摘要：

• ARGs were detected in livestock manure, sludge, food waste and fermentation dregs.

关键词： Antibiotic resistance genes     Organic solid waste     Aerobic composting     Livestock manure     Sludge    

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标题 作者 时间 类型 操作

中国功能晶体研究进展

王继扬,于浩海,吴以成,Robert Boughton

期刊论文

Reactivity of triacetone triperoxide and diacetone diperoxide: Insights from nuclear Fukui function

Matthew J. SWADLEY, Panpan ZHOU, Tonglei LI

期刊论文

Synthesis of crystals and particles by crystallization and polymerization in droplet-based microfluidic

Jingtao WANG, Jin ZHANG, Junjie HAN,

期刊论文

Filtration ability of hollow fiber membrane for production of magnesium ammonium phosphate crystals by

H. Watamura, H. Marukawa, I. Hirasawa

期刊论文

Acoustic fault signal extraction via the line-defect phononic crystals

期刊论文

Control of the agglomeration of crystals in the reactive crystallization of 5-(difluoromethoxy)-2-mercapto

Yongli WANG, Shuyuan MA, Xiaodong Lü, Chuang XIE

期刊论文

Hierarchical porous metal-organic frameworks/polymer microparticles for enhanced catalytic degradationof organic contaminants

期刊论文

Enhancing the adsorption function of biochar by mechanochemical graphitization for organic pollutant

期刊论文

光电子晶体与全固态激光器及其应用——光电子技术发展的一个重大方向

许祖彦

期刊论文

Dynamic response surface methodology using Lasso regression for organic pharmaceutical synthesis

期刊论文

Construction of MOFs-based nanocomposite membranes for emerging organic contaminants abatement in water

期刊论文

Characterization and comparison of organic functional groups effects on electrolyte performance for vanadium

期刊论文

Exposure-response of Cr(III)-organic complexes to Saccharomyces cerevisiae

Nivedita CHATTERJEE, Zejiao LUO,

期刊论文

Realization of energy-saving glass using photonic crystals

Yen-Hsiang CHEN, Li-Hung LIAO, Yu-Bin CHEN

期刊论文

Environmental effects and risk control of antibiotic resistance genes in the organic solid waste aerobic

期刊论文