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acetylene/carbon dioxide separation with excellent dynamic capacity and low regeneration energy by anion-pillaredhybrid materials

《化学科学与工程前沿（英文）》   页码 1616-1622 doi: 10.1007/s11705-022-2183-x

摘要： Adsorptive separation of acetylene/carbon dioxide mixtures by porous materials is an important and challenging task due to their similar sizes and physical properties. Here, remarkable acetylene/carbon dioxide separation featuring a high dynamic breakthrough capacity for acetylene (4.3 mmol·g–1) as well as an ultralow acetylene regeneration energy (29.5 kJ·mol–1) was achieved with the novel TiF62–-pillared material ZU-100 (TIFSIX-bpy-Ni). Construction of a pore structure with abundant TiF62– anion sites and pores with appropriate sizes enabled formation of acetylene clusters through hydrogen bonds and intermolecular interactions, which afforded a high acetylene capacity (8.3 mmol·g–1) and high acetylene/carbon dioxide uptake ratio (1.9) at 298 K and 1 bar. Moreover, the NbO52– anion-pillared material ZU-61 investigated for separation of acetylene/carbon dioxide. In addition, breakthrough experiments were also conducted to further confirm the excellent dynamic acetylene/carbon dioxide separation performance of ZU-100.

关键词： adsorption     acetylene/carbon dioxide separation     dynamic capacity     anion-pillared hybrid material    

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具有客体适应型孔道的阴离子柱撑超微孔材料实现顺-/反-烯烃高效分离

张照强, 崔希利, 姜小明, 丁琦, 崔稷宇, 张袁斌, Youssef Belmabkhout, Karim Adil, Mohamed Eddaoudi, 邢华斌

《工程（英文）》 2022年 第11卷 第4期   页码 82-88 doi: 10.1016/j.eng.2021.10.013

摘要：

顺-/反-烯烃异构体在石油化工行业具有重要应用价值，然而其极为相似的物理化学性质为节能高效的分离纯化技术的开发带来了巨大的挑战。本文设计的阴离子柱撑超微孔金属-有机框架材料，即ZU-36-Ni和ZU-36-Fe，首次实现了基于分子筛分效应的顺-/反-2-丁烯高效分离。ZU-36-Ni 具有智能的客体适应型孔道结构，其对反-2-丁烯呈现出高吸附容量（2.45 mmol∙g−1）并对顺-2-丁烯高效排阻，可从混合气中分离获得99.99%的高纯度顺-2-丁烯气体。密度泛函理论计算表明：当反-2-丁烯进入孔道时，ZU-36-Ni 的有机配体在主-客体相互作用下可定向旋转，从而导致孔穴扩张并使孔道更加适应反-2-丁烯形状及尺寸，加之ZU-36-Ni 具有可匹配反-2-丁烯三维尺寸的最优孔穴维度，使得反-2-丁烯可以被高效吸附。ZU-36-Ni的适应性行为可最大限度地强化ZU-36-Ni 和反-2-丁烯的主-客体作用，不仅有利于提升反-2-丁烯的优先吸附及动力学扩散行为，同时可实现对顺-2-丁烯的高效分子筛分。本工作为拓展孔穴工程在先进智能或适应型多孔材料在客体分子辨识领域的应用提供了新思路。

关键词： 吸附分离     顺-/反-丁烯     超微孔金属-有机框架材料     孔工程     客体适应性行为    

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多尺度材料与过程设计的数据驱动和机理混合建模方法 Perspective

周腾, Rafiqul Gani, Kai Sundmacher

《工程（英文）》 2021年 第7卷 第9期   页码 1231-1238 doi: 10.1016/j.eng.2020.12.022

摘要：

世界人口的不断增长要求加工业以更高效和更可持续的方式生产食品、燃料、化学品和消费品。功能性过程材料是这一挑战的核心。传统上，人们根据经验或者通过反复试验的方法来发现新型先进材料。随着理论方法和相关工具的不断改进和计算机能力的提高，现在流行使用计算方法来指导材料选择和设计，这种方法也非常有效。由于材料选择与材料使用的过程操作之间存在很强的相互作用，必须同时进行材料设计和过程设计。尽管有这种重要联系，但由于通常需要使用不同规模的多个模型，材料和过程的集成设计并不容易。混合建模为解决此类复杂的设计问题提供了一个有前景的选择。在混合建模中，用数据驱动模型描述原本计算成本高昂的材料特性，而用机理模型表示众所周知的过程相关原理。本文重点介绍了混合建模在多尺度材料和过程设计中的重要性。首先介绍通用设计方法，然后选择了六个重要的应用领域：四个来自化学工程领域，两个来自能源系统工程领域。对于选定的每个领域，讨论了使用混合建模进行多尺度材料和过程设计的最新研究。最后，本文给出了结论，指出当前研究的局限性和未来的发展空间。

关键词： 数据驱动     代理模型     机器学习     混合建模     材料设计     过程优化    

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五唑阴离子——前行中的新一代高含能材料

林秋汉, 王鹏程, 许元刚, 陆明

《工程（英文）》 2020年 第6卷 第9期   页码 964-966 doi: 10.1016/j.eng.2020.04.011

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Fabrication of titanosilicate pillared MFI zeolites with tailored catalytic activity

Baoyu Liu, Qiaowen Mu, Jiajin Huang, Wei Tan, Jing Xiao

《化学科学与工程前沿（英文）》 2020年 第14卷 第5期   页码 772-782 doi: 10.1007/s11705-019-1859-3

摘要： Titanosilicate pillared MFI zeolite nanosheets were successfully synthesized by infiltrating the mixed tetraethyl orthosilicate (TEOS)/tetrabutyl orthotitanate (TBOT) solvent into the gallery space between adjacent MFI zeolite layers. The obtained zeolite catalysts were characterized using powder X-ray diffraction, N adsorption/desorption isotherms, scanning electron microscopy, transmission electron microscopy, ultraviolet–visible spectroscopy, X-ray photoelectron spectroscopy, and Fourier-transform infrared spectroscopy techniques. The H O oxidation of dibenzothiophene (DBT) was used to evaluate the catalytic performance of the obtained titanosilicate pillared MFI zeolites. The conversion of DBT and selectivity of dibenzothiophene sulfone (DBTS) were most affected by the textural properties of the zeolites. This was attributed to the DBT and DBTS molecules being larger than micropores of the MFI zeolites. The conversion of DBT and yield of DBTS could be systematically tailored by tuning the molar ratio of the TEOS/TBOT solvent. These results implied that a balance between the meso- and microporosity of zeolites and tetrahedrally coordinated Ti(IV) active sites of titanosilicate pillars can be achieved for the preparation of desired catalysts during the oxidation of bulk S compounds.

关键词： MFI zeolite     catalysis     nanosheets     fabrication    

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Wastewater treatment by catalytic wet air oxidation process over Al-Fe pillared clays synthesized using

Halima Sassi, Gwendoline Lafaye, Hédi Ben Amor, Abdelaziz Gannouni, Mohamed Razak Jeday, Jacques Barbier-Jr

《环境科学与工程前沿（英文）》 2018年 第12卷 第1期 doi: 10.1007/s11783-017-0971-1

摘要： Microwave irradiation has been used to prepare Al, Fe-pillared clays from a natural Tunisian smectite from the El Hicha deposit (province of Gabes). Chemical analysis, XRD spectra and surface properties evidenced the success of pillaring process. The obtained solids present higher surface area and pore volume than conventionally prepared Al-Fe pillared clays. The main advantages of the microwave methodology are the considerable reduction of the synthesis time and the consumption of water. The microwave-derived Al-Fe pillared clays have been tested for catalytic wet air oxidation (CWAO) of phenol in a stirred tank at 160°C and 20 bar of pure oxygen pressure. These materials are efficient for CWAO of phenol and are highly stable despite the severe operating conditions (acidic media, high pressure, high temperature). The catalyst deactivation was also significantly hindered when compared to conventionally prepared clays. Al-Fe pillared clays prepared by microwave methodology are promising as catalysts for CWAO industrial water treatment.

关键词： Water     Catalytic wet air oxidation     Pillared clays     Microwave     Phenol    

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Enhanced adsorption of phosphate by loading nanosized ferric oxyhydroxide on anion resin

Jing REN,Nan LI,Lin ZHAO,Nanqi REN

《环境科学与工程前沿（英文）》 2014年 第8卷 第4期   页码 531-538 doi: 10.1007/s11783-014-0629-1

摘要： Ferric oxyhydroxide loaded anion exchanger (FOAE) hybrid adsorbent was prepared by loading nanosized ferric oxyhydroxide (FO) on anion exchanger resin for the removal of phosphate from wastewater. TEM and XRD analysis confirmed the existence of FO on FOAE. After FO loading, the adsorption capacity of the hybrid adsorbent increased from 38.70 to 51.52 mg·g . Adsorption processes for both FOAE and anion resin were better fit to the pseudo first order model. Batch adsorption experiments revealed that higher temperature (313K), higher initial phosphate concentration (50 mg·L ) and lower solution pH (pH value of 2) would be more propitious to phosphate adsorption. Competition effect of coexisting anions on phosphate removal can be concluded as sulfate>nitrate>chloride. Freundlich isotherm model can describe the adsorption of phosphate on FOAE more accurately, which indicated the heterogeneous adsorption occurred on the inner-surface of FOAE.

关键词： phosphate removal     adsorption     nanosized ferric oxyhydroxide     anion exchanger    

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Process study on adsorption of glycerin from saline wastewater by strong base anion resin

Haitao ZHANG, Xiaoqing MA, Xian QU, Jeanpierre Arcangeli

《化学科学与工程前沿（英文）》 2011年 第5卷 第1期   页码 113-116 doi: 10.1007/s11705-010-0547-0

摘要： A physicochemical method was used to adsorb glycerin in saline wastewater by strong base anion resin (D201). Boric acid, a kind of weak acid, can combine with glycerin, and a specific complex can be produced, which possess bigger molecule than glycerin. Then, this specific complex could be adsorbed by strong base anion resin. Via the experiment, the equation of adsorption isotherm with D201 at 20°C can be shown by lg / = 1.74lg - 5.72; for column test with simulative glycerin wastewater, the treatment capability was more than nine bed volumes, and 39.77 mg glycerin could be removed by per gram resin. When the NaCl concentration was 10 g/L, five bed volumes of simulative wastewater could be treated, and the adsorb mass was 29.09 mg/g. When the NaCl concentration was 30 g/L, only three bed volumes of simulative wastewater could be treated, and the adsorb mass was 14.83 mg/g.

关键词： glycerin     anion resin     boric acid     wastewater     NaCl    

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Tetrazole tethered polymers for alkaline anion exchange membranes

Erigene Bakangura, Yubin He, Xiaolin Ge, Yuan Zhu, Liang Wu, Jin Ran, Congliang Cheng, Kamana Emmanuel, Zhengjin Yang, Tongwen Xu

《化学科学与工程前沿（英文）》 2018年 第12卷 第2期   页码 306-310 doi: 10.1007/s11705-017-1690-7

摘要： Poly(2,6-dimethyl-1,4-phenylene oxide) was tethered with a 1,5-disubstituted tetrazole through a quaternary ammonium linkage. The formation of a tetrazole-ion network in the resulting polymers was found to promote the hydroxide ion transport through the Grotthus-type mechanism.

关键词： anion exchange membrane     fuel cell     phase separation     tetrazole    

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Preparation of a novel anion exchange group modified hyper-crosslinked resin for the effective adsorption

Qing ZHOU, Mengqiao WANG, Aimin LI, Chendong SHUANG, Mancheng ZHANG, Xiaohan LIU, Liuyan WU

《环境科学与工程前沿（英文）》 2013年 第7卷 第3期   页码 412-419 doi: 10.1007/s11783-013-0483-6

摘要： A novel hyper-crosslinked resin (MENQ) modified with an anion exchange group was prepared using divinylbenzene (DVB) and methyl acrylate (MA) as comonomers via four steps: suspension polymerization, post-crosslinking, ammonolysis and alkylation reactions. The obtained resin had both a high specific surface area (793.34 m ·g ) and a large exchange capacity (strong base anion exchange capacity, SEC: 0.74 mmol·g , weak base anion exchange capacity, WEC: 0.45 mmol·g ). XAD-4 was selected as an adsorbent for comparison to investigate the adsorption behavior of tetracycline (TC) and humic acid (HA) onto the adsorbents. The results revealed that MENQ could effectively remove both TC and HA. The adsorption capacity of XAD-4 for TC was similar to that of MENQ, but XAD-4 exhibited poor performance for the adsorption of HA. The adsorption isotherms of TC and HA were well-fitted with the Freundlich model, which indicated the existence of heterogeneous adsorption through cation-π bonding and π–π interactions. The optimal solution condition for the adsorption of TC was at a pH of 5–6, whereas the adsorption of HA was enhanced with increasing pH of the solution.

关键词： high surface area     adsorption     anion exchange     micropollutant     dissolved organic matters    

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Anion-exchange membrane direct ethanol fuel cells: Status and perspective

T.S. Zhao, Y.S. Li, S.Y. Shen

《能源前沿（英文）》 2010年 第4卷 第4期   页码 443-458 doi: 10.1007/s11708-010-0127-5

摘要： Direct ethanol fuel cells (DEFCs) are a promising carbon-neutral and sustainable power source for portable, mobile, and stationary applications. However, conventional DEFCs that use acid proton-exchange membranes (typically Nafion type) and platinum-based catalysts exhibit low performance (i.e., the state-of-the-art peak power density is 79.5 mW/cm at 90°C). Anion-exchange membrane (AEM) DEFCs that use low-cost AEM and non-platinum catalysts have recently been demonstrated to yield a much better performance (i.e., the state-of-the-art peak power density is 160 mW/cm at 80°C). This paper provides a comprehensive review of past research on the development of AEM DEFCs, including the aspects of catalysts, AEMs, and single-cell design and performance. Current and future research challenges are identified along with potential strategies to overcome them.

关键词： fuel cell     direct ethanol fuel cells     anion-exchange membrane     ethanol oxidation reaction     oxygen reduction reaction     cell performance    

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Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy

Lei WANG, Jing LIU

《能源前沿（英文）》 2013年 第7卷 第3期   页码 317-332 doi: 10.1007/s11708-013-0271-9

摘要： As the basis of modern industry, the roles materials play are becoming increasingly vital in this day and age. With many superior physical properties over conventional fluids, the low melting point liquid metal material, especially room-temperature liquid metal, is recently found to be uniquely useful in a wide variety of emerging areas from energy, electronics to medical sciences. However, with the coming enormous utilization of such materials, serious issues also arise which urgently need to be addressed. A biggest concern to impede the large scale application of room-temperature liquid metal technologies is that there is currently a strong shortage of the materials and species available to meet the tough requirements such as cost, melting point, electrical and thermal conductivity, etc. Inspired by the Material Genome Initiative as issued in 2011 by the United States of America, a more specific and focused project initiative was proposed in this paper—the liquid metal material genome aimed to discover advanced new functional alloys with low melting point so as to fulfill various increasing needs. The basic schemes and road map for this new research program, which is expected to have a worldwide significance, were outlined. The theoretical strategies and experimental methods in the research and development of liquid metal material genome were introduced. Particularly, the calculation of phase diagram (CALPHAD) approach as a highly effective way for material design was discussed. Further, the first-principles (FP) calculation was suggested to combine with the statistical thermodynamics to calculate the thermodynamic functions so as to enrich the CALPHAD database of liquid metals. When the experimental data are too scarce to perform a regular treatment, the combination of FP calculation, cluster variation method (CVM) or molecular dynamics (MD), and CALPHAD, referred to as the mixed FP-CVM-CALPHAD method can be a promising way to solve the problem. Except for the theoretical strategies, several parallel processing experimental methods were also analyzed, which can help improve the efficiency of finding new liquid metal materials and reducing the cost. The liquid metal material genome proposal as initiated in this paper will accelerate the process of finding and utilization of new functional materials.

关键词： liquid metal material genome     energy material     material discovery     advanced material     room-temperature liquid alloy     thermodynamics     phase diagram    

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Robust topology optimization of multi-material lattice structures under material and load uncertainties

Yu-Chin CHAN, Kohei SHINTANI, Wei CHEN

《机械工程前沿（英文）》 2019年 第14卷 第2期   页码 141-152 doi: 10.1007/s11465-019-0531-4

摘要： Enabled by advancements in multi-material additive manufacturing, lightweight lattice structures consisting of networks of periodic unit cells have gained popularity due to their extraordinary performance and wide array of functions. This work proposes a density-based robust topology optimization method for meso- or macro-scale multi-material lattice structures under any combination of material and load uncertainties. The method utilizes a new generalized material interpolation scheme for an arbitrary number of materials, and employs univariate dimension reduction and Gauss-type quadrature to quantify and propagate uncertainty. By formulating the objective function as a weighted sum of the mean and standard deviation of compliance, the tradeoff between optimality and robustness can be studied and controlled. Examples of a cantilever beam lattice structure under various material and load uncertainty cases exhibit the efficiency and flexibility of the approach. The accuracy of univariate dimension reduction is validated by comparing the results to the Monte Carlo approach.

关键词： robust topology optimization     lattice structures     multi-material     material uncertainty     load uncertainty     univariate dimension reduction    

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Intelligent hybrid power generation system using new hybrid fuzzy-neural for photovoltaic system and

Alireza REZVANI,Ali ESMAEILY,Hasan ETAATI,Mohammad MOHAMMADINODOUSHAN

《能源前沿（英文）》 2019年 第13卷 第1期   页码 131-148 doi: 10.1007/s11708-017-0446-x

摘要： Photovoltaic (PV) generation is growing increasingly fast as a renewable energy source. Nevertheless, the drawback of the PV system is intermittent because of depending on weather conditions. Therefore, the wind power can be considered to assist for a stable and reliable output from the PV generation system for loads and improve the dynamic performance of the whole generation system in the grid connected mode. In this paper, a novel topology of an intelligent hybrid generation system with PV and wind turbine is presented. In order to capture the maximum power, a hybrid fuzzy-neural maximum power point tracking (MPPT) method is applied in the PV system. The average tracking efficiency of the hybrid fuzzy-neural is incremented by approximately two percentage points in comparison with the conventional methods. The pitch angle of the wind turbine is controlled by radial basis function network-sliding mode (RBFNSM). Different conditions are represented in simulation results that compare the real power values with those of the presented methods. The obtained results verify the effectiveness and superiority of the proposed method which has the advantages of robustness, fast response and good performance. Detailed mathematical model and a control approach of a three-phase grid-connected intelligent hybrid system have been proposed using Matlab/Simulink.

关键词： photovoltaic     wind turbine     hybrid system     fuzzy logic controller     genetic algorithm     RBFNSM    

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Control strategies for disinfection byproducts by ion exchange resin, nanofiltration and their sequential combination

《环境科学与工程前沿（英文）》 2023年 第17卷 第10期 doi: 10.1007/s11783-023-1725-x

摘要：

● Effects of AER adsorption and NF on DBP precursors, DBPs, and TOX were examined.

关键词： Disinfection byproducts     Control     Anion exchange resin     Nanofiltration     Cytotoxicity    

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标题 作者 时间 类型 操作

acetylene/carbon dioxide separation with excellent dynamic capacity and low regeneration energy by anion-pillaredhybrid materials

期刊论文

具有客体适应型孔道的阴离子柱撑超微孔材料实现顺-/反-烯烃高效分离

张照强, 崔希利, 姜小明, 丁琦, 崔稷宇, 张袁斌, Youssef Belmabkhout, Karim Adil, Mohamed Eddaoudi, 邢华斌

期刊论文

多尺度材料与过程设计的数据驱动和机理混合建模方法

周腾, Rafiqul Gani, Kai Sundmacher

期刊论文

五唑阴离子——前行中的新一代高含能材料

林秋汉, 王鹏程, 许元刚, 陆明

期刊论文

Fabrication of titanosilicate pillared MFI zeolites with tailored catalytic activity

Baoyu Liu, Qiaowen Mu, Jiajin Huang, Wei Tan, Jing Xiao

期刊论文

Wastewater treatment by catalytic wet air oxidation process over Al-Fe pillared clays synthesized using

Halima Sassi, Gwendoline Lafaye, Hédi Ben Amor, Abdelaziz Gannouni, Mohamed Razak Jeday, Jacques Barbier-Jr

期刊论文

Enhanced adsorption of phosphate by loading nanosized ferric oxyhydroxide on anion resin

Jing REN,Nan LI,Lin ZHAO,Nanqi REN

期刊论文

Process study on adsorption of glycerin from saline wastewater by strong base anion resin

Haitao ZHANG, Xiaoqing MA, Xian QU, Jeanpierre Arcangeli

期刊论文

Tetrazole tethered polymers for alkaline anion exchange membranes

Erigene Bakangura, Yubin He, Xiaolin Ge, Yuan Zhu, Liang Wu, Jin Ran, Congliang Cheng, Kamana Emmanuel, Zhengjin Yang, Tongwen Xu

期刊论文

Preparation of a novel anion exchange group modified hyper-crosslinked resin for the effective adsorption

Qing ZHOU, Mengqiao WANG, Aimin LI, Chendong SHUANG, Mancheng ZHANG, Xiaohan LIU, Liuyan WU

期刊论文

Anion-exchange membrane direct ethanol fuel cells: Status and perspective

T.S. Zhao, Y.S. Li, S.Y. Shen

期刊论文

Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy

Lei WANG, Jing LIU

期刊论文

Robust topology optimization of multi-material lattice structures under material and load uncertainties

Yu-Chin CHAN, Kohei SHINTANI, Wei CHEN

期刊论文

Intelligent hybrid power generation system using new hybrid fuzzy-neural for photovoltaic system and

Alireza REZVANI,Ali ESMAEILY,Hasan ETAATI,Mohammad MOHAMMADINODOUSHAN

期刊论文

Control strategies for disinfection byproducts by ion exchange resin, nanofiltration and their sequential combination

期刊论文