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Real atom economy and its application for evaluation the green degree of a process

Weihan WANG, Jing Lü, Li ZHANG, Zhenhua LI

《化学科学与工程前沿（英文）》 2011年第5卷第3期页码 349-354 doi: 10.1007/s11705-010-1030-7

摘要： Green chemistry has attracted more attention in the past century. Among the 12 principles of green chemistry, only atom economy and E factor can be expressed quantitatively to depict the impact of a chemical process to environment. Atom economy was thought better than the traditional yield for evaluating the atom efficiency of raw materials. But it is not enough to reflect the conversion degree of raw material. In this paper, we proposed the concept of real atom economy (RAE) as a metric. RAE could combine the above two factors together to better express the green degree of a process. We further suggested an equation to correlate E factor with RAE. The concept of RAE is proved to be helpful for estimating an environmentally benign process.

关键词： green chemistry real atom economy E factor atom economy yield

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Trihydrazinotriazine-grafting Fe

Jamal Rahimi, Seyedeh Shadi Mirmohammadi, Ali Maleki

《化学科学与工程前沿（英文）》 2021年第15卷第4期页码 1008-1020 doi: 10.1007/s11705-020-1996-8

摘要： This study focuses on the synthesis and characterization of a novel magnetic nanocomposite 2,4,6-trihydrazino-1,3,5-triazine (THDT)-functionalized with silica-coated iron oxide magnetic nanoparticles (MNPs). This nanocomposite has porous morphology decorated with the spherical MNPs. Through co-precipitation of iron salts, MNPs were obtained. The prepared THDT was placed on the chlorine surface-modified MNPs. The present environment-friendly nanocatalyst intensely accelerated the synthesis of highly functionalized tetrahydrobenzo[ ]pyran derivatives as well as reduced the reaction times and increased yields of the products.

关键词： trihydrazino-triazine porous magnetic nanocatalyst green chemistry tetrahydrobenzo[b]pyrans

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尼龙-6 单体己内酰胺绿色生产技术 Review

宗保宁, 孙斌, 程时标, 慕旭宏, 杨克勇, 赵俊琦, 张晓昕, 吴巍

《工程（英文）》 2017年第3卷第3期页码 379-384 doi: 10.1016/J.ENG.2017.03.003

摘要：

中国石化石油化工科学研究院(RIPP) 历经20 年的努力，成功开发出尼龙-6 单体己内酰胺绿色生产技术。该项技术主要包括：钛硅分子筛与浆态床反应器集成用于环己酮氨肟化合成环己酮肟，纯硅分子筛与移动床反应器集成用于环己酮肟气相贝克曼重排，非晶态Ni 催化剂与磁稳定床反应器集成用于己内酰胺精制。己内酰胺绿色生产技术在国际上率先实现工业化应用，建成了200 kt·a⁻¹的工业装置。与已有技术相比，工业装置投资明显减少，氮原子利用率大幅提升，“三废”排放显著下降，没有副产硫酸铵。因此，已内酰胺与苯之间的价格差逐步减小。2015 年，己内酰胺绿色生产技术的产能达到3 × 10⁶ kt·a⁻¹，使我国成为世界第一己内酰胺生产大国，全球市场份额超过50 %。

关键词：绿色化学绿色化工己内酰胺生产技术

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Preparation of manganese (III) acetylacetonate nanoparticles via an environmentally benign route

M. S. Shalaby, H. Abdallah

《化学科学与工程前沿（英文）》 2013年第7卷第3期页码 329-337 doi: 10.1007/s11705-013-1339-0

摘要： With the hope of overcoming the generation of hazardous materials to human health and environment, serious and great endeavor have been made in catalyst fabrication using green chemistry technology. In this paper, the manganese (III) acetylacetonate nanoparticles with diameters of about 146 nm were prepared by a simple and environmentally benign route based on hydrolysis of KMnO followed by reaction with acetylacetone in rapid stirring rate or ultrasonication. The as-prepared samples were characterized by X-ray diffraction, energy dispersive X-ray fluorescence (EDIX), Fourier transfer infrared spectroscopy and scanning electron microscope. Various parameters were investigated, and the pure and stable crystals of manganese (III) acetylacetonate could be obtained in 98% conversion at a molar ratio 7∶1 of acetylacetone to KMnO and 75°C after 60 min. We further proposed a mathematical model, and the predicted results from model were in good agreement with experimental results.

关键词： green chemistry manganese (III) acetylacetonate reaction conversion Mathematical model

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Frontiers of Catalysis Chemistry and Technology

《化学科学与工程前沿（英文）》 2018年第12卷第1期页码 1-2 doi: 10.1007/s11705-018-1704-0

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Simulation studies on metastable phase equilibria in the aqueous ternary systems (NaCl-MgCl

Tianlong DENG, Baojun ZHANG, Dongchan LI, Yafei GUO

《化学科学与工程前沿（英文）》 2009年第3卷第2期页码 172-175 doi: 10.1007/s11705-009-0048-1

摘要： The solubilities and densities of the aqueous metastable ternary systems (NaCl-MgCl -H O) and (KCl-MgCl -H O) at 308.15 K were determined by the isothermal evaporation method. On the basis of the experimental results, the phase diagrams for those systems were plotted. It was found that the former system belongs to the hydrate-I type with one invariant point of (NaCl+ MgCl ?6H O), two univariant curves, and two crystallization regions corresponding to halite (NaCl) and bischofite (MgCl ·6H O); and the latter system belongs to the type of incongruent-double salts with two invariant points of (KCl+ KCl·MgCl ·6H O) and (MgCl ·6H O+ KCl·MgCl ·6H O), three univariant curves, and three crystallization regions corresponding to potassium chloride (KCl), carnallite (KCl·MgCl ·6H O) and bischofite (MgCl ·6H O). No solid solutions were found in both systems.

关键词： green chemistry solar pond technique simulation metastable phase equilibrium solubility

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Role of water chemistry on estrone removal by nanofiltration with the presence of hydrophobic acids

Xue JIN,Jiangyong HU

《环境科学与工程前沿（英文）》 2015年第9卷第1期页码 164-170 doi: 10.1007/s11783-014-0747-9

摘要： Hydrophobic acid organic matter (HpoA) extracted from treated effluent has been known to improve the rejection of steroid hormone estrone by reverse osmosis (RO) and nanofiltration (NF) membranes. In this study, the effects of solution chemistry (solution pH and ionic strength) on the estrone rejection by NF membrane with the presence of HpoA were systematically investigated. Crossflow nanofiltration experiments show that the presence of HpoA significantly improved estrone rejection at all pH and ionic strength levels investigated. It is consistently shown that the “enhancement effect” of HpoA on estrone rejection at neutral and alkaline pH is attributed to the binding of estrone by HpoA macromolecules via hydrogen bonding between phenolic functional groups in feed solutions, which leads to an increase in molecular weight and appearance of negative charge. The membrane exhibited the best performance in terms of estrone rejection at pH 10.4 (compared to pH 4 and pH 7) as a result of strengthening the electrostatic repulsion between estrone and membrane with the presence of HpoA. At neutral pH level, the ability of HpoA macromolecules to promote estrone rejection became stronger with increasing ionic strength due to their more extended conformation, which created more chances for the association between estrone and HpoA. The important conclusion of this study is that increasing solution pH and salinity can greatly intensify the “enhancement effect” of HpoA. These results can be important for NF application in direct/indirect potable water reuse.

关键词： indirect potable water reuse steroid hormone nanofiltration(NF) rejection water chemistry hydrophobic acids

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Hexavalent chromium in drinking water: Chemistry, challenges and future outlook on Sn(II)- and photocatalyst-based

Haizhou Liu, Xuejun Yu

《环境科学与工程前沿（英文）》 2020年第14卷第5期 doi: 10.1007/s11783-020-1267-4

摘要： Abstract • Wide occurrence of Cr(VI) in US source drinking water. • A strong dependence of occurrence on groundwater sources. • Elucidate Redox and equilibrium chemistry of Cr(VI). • Sn(II)-based and TiO2-based reductive treatments hold extreme promise. • Key challenges include residual waste, Cr(VI) re-generation and socioeconomic drivers. Chromium (Cr) typically exists in either trivalent and hexavalent oxidation states in drinking water, i.e., Cr(III) and Cr(VI), with Cr(VI) of particular concern in recent years due to its high toxicity and new regulatory standards. This Account presented a critical analysis of the sources and occurrence of Cr(VI) in drinking water in the United States, analyzed the equilibrium chemistry of Cr(VI) species, summarized important redox reaction relevant to the fate of Cr(VI) in drinking water, and critically reviewed emerging Cr(VI) treatment technologies. There is a wide occurrence of Cr(VI) in US source drinking water, with a strong dependence on groundwater sources, mainly due to naturally weathering of chromium-containing aquifers. Challenges regarding traditional Cr(VI) treatment include chemical cost, generation of secondary waste and inadvertent re-generation of Cr(VI) after treatment. To overcome these challenges, reductive Cr(VI) treatment technologies based on the application of stannous tin or electron-releasing titanium dioxide photocatalyst hold extreme promise in the future. To moving forward in the right direction, three key questions need further exploration for the technology implementation, including effective management of residual waste, minimizing the risks of Cr(VI) re-occurrence downstream of drinking water treatment plant, and promote the socioeconomic drivers for Cr(VI) control in the future.

关键词： Chromium Chemistry Treatment Future outlook

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Where physics meets chemistry: Thin film deposition from reactive plasmas

Andrew Michelmore, Jason D. Whittle, James W. Bradley, Robert D. Short

《化学科学与工程前沿（英文）》 2016年第10卷第4期页码 441-458 doi: 10.1007/s11705-016-1598-7

摘要： Functionalising surfaces using polymeric thin films is an industrially important field. One technique for achieving nanoscale, controlled surface functionalization is plasma deposition. Plasma deposition has advantages over other surface engineering processes, including that it is solvent free, substrate and geometry independent, and the surface properties of the film can be designed by judicious choice of precursor and plasma conditions. Despite the utility of this method, the mechanisms of plasma polymer growth are generally unknown, and are usually described by chemical (i.e., radical) pathways. In this review, we aim to show that plasma physics drives the chemistry of the plasma phase, and surface-plasma interactions. For example, we show that ionic species can react in the plasma to form larger ions, and also arrive at surfaces with energies greater than 1000 kJ?mol (>10 eV) and thus facilitate surface reactions that have not been taken into account previously. Thus, improving thin film deposition processes requires an understanding of both physical and chemical processes in plasma.

关键词： thin films plasma physics plasma chemistry functionalization polymer

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秦山核电厂二回路系统水化学的改进

陶钧,孔德萍

《中国工程科学》 2008年第10卷第1期页码 91-96

摘要：

核电厂二回路系统的水质控制与关键重要设备蒸汽发生器的运行寿命有着密切的关系，秦山核电厂运行16年来，随着秦山核电厂二回路系统水化学管理的不断改进，二回路系统的水质不断改善。这些管理改进主要体现在管理理念的改变，二回路系统高AVT（全会法处理方式）处理、对凝结水精处理装置的优化运行以及大修及启动过程的严格控制等。通过这些改进措施的实施，电厂的WANO（世界核营运者协会）化学性能指标从1997年的1.66下降到2006年的1.00，达到了世界先进水平。二回路水化学的改善确保了蒸汽发生器传热管的结构完整性。

关键词：二回路水化学 WANO化学性能指标

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Bioorthogonal chemistry based on-demand drug delivery system in cancer therapy

《化学科学与工程前沿（英文）》 2023年第17卷第4期页码 483-489 doi: 10.1007/s11705-022-2227-2

摘要： Benefiting from the advantage of taking place in biological environments without interfering with an innate biochemical process, the bioorthogonal reaction that commonly contains the “bond formation” and “bond cleavage” system has been widely used in targeted therapy for a variety of tumors. Herein, several prominent cases based on the bioorthogonal reaction that tailoring the metabolic glycoengineering tactics to modified cells for cancer immunotherapy, and the innovative tactics for reducing the metal ions’ toxic and side effects with microneedle patches will be highlighted. Based on these applications, the complexities, potential pitfalls, and opportunities of bioorthogonal chemistry in future cancer therapy will be evaluated.

关键词： bioorthogonal reaction cancer therapy metabolic glycoengineering bioorthogonal catalytic patch

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The First Attempt for Accounts of Environmental Chemistry and Technology Research

Jinyong Liu, Yin Wang, Haoran Wei

《环境科学与工程前沿（英文）》 2020年第14卷第5期 doi: 10.1007/s11783-020-1270-9

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Regulating surface chemistry of separator with LiF for advanced Li-S batteries

《能源前沿（英文）》 2022年第16卷第4期页码 601-606 doi: 10.1007/s11708-021-0759-7

摘要： Lithium-sulfur (Li-S) batteries have attracted intensive attention owing to their ultrahigh theoretical energy density. Nevertheless, the practical application of Li-S batteries is prevented by uncontrollable shuttle effect and retarded reaction kinetics. To address the above issues, lithium fluoride (LiF) was employed to regulate the surface chemistry of routine separator. The functional separator demonstrates a great ability to suppress active S loss and protect lithium anode. This work provides a facile strategy for the development of advanced Li-S batteries.

关键词： Li-S batteries LiF functional separator

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从绿色化学的角度提高石油采收率——通过二氧化碳泡沫进行封存 Perspective

Jennifer A. Clark, Erik E. Santiso

《工程（英文）》 2018年第4卷第3期页码 336-342 doi: 10.1016/j.eng.2018.05.006

摘要：

通过二氧化碳（CO2）驱油来提高石油采收率（EOR），这作为一种经济上可行的碳封存方法受到了相当大的关注，并且最近许多研究都集中在开发增强的CO2发泡添加剂上。然而，人们对这些添加剂在泄漏事件中潜在的长期环境影响知之甚少，并且考虑到在典型的CO2 EOR操作中注入添加剂的量，其对环境的影响可能是深远的。本文概述了表面活性剂和表面活性剂/基于纳米颗粒的二氧化碳发泡体系的最新发展情况，重点介绍了CO2泡沫泄漏可能对环境造成的影响。所研究的大多数表面活性剂在油藏条件下不可能降解，并且它们的释放可能对野生动物造成严重的负面影响。随着近来添加剂使用（如非离子表面活性剂、纳米颗粒和其他化学品）的进展，可能不再允许使用苛刻的阴离子表面活性剂。本文讨论了生产泡沫系统的最新进展，并着重介绍了开发环境友好型CO2 EOR方法的可能策略。

关键词：表面活性剂纳米粒子碳封存提高石油采收率

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一步法绿色制备具有持续抗菌性能的医用支架 Article

黄榕康, 胡民辉, 梁伟文, 郑娟娟, 杜杨, 林燕欢, 王怀明, 过文泰, 曾展涛, 李创坤, 利民, 王辉, 张兴才

《工程（英文）》 2021年第7卷第3期页码 326-333 doi: 10.1016/j.eng.2020.08.022

摘要：

聚丙烯（polypropylene, PP）支架是目前最常用的生物医用支架，在外科手术使用中存在黏连、感染、异物反应等缺点。本文报道了一种简易一步法，用于制备新型三氯生聚多巴胺聚丙烯（TPP）复合支架，从而有效地提高了PP支架的生物相容性和持续抗菌性。通过一步法绿色制造，具有广谱抗菌效果的三氯生在聚多巴胺形成过程中，在PP支架表面可以有效地与多巴胺发生相互作用。三氯生可从具有生物相容性的聚多巴胺表面涂层持续释放。利用三氯生（浓度为8 mg∙mL⁻¹，即TPP-8）制备的5 mm × 5 mm的支架具备持续抗菌性，对最大菌液量为2 mL的大肠杆菌（E. coli）和5 mL的金黄色葡萄球菌（S. aureus）的持续抗菌时间超过15 d。本研究为长效抗菌医用生物材料的绿色制备提供了一个新的方向。

关键词：绿色化学聚丙烯支架聚多巴胺三氯生抗菌