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Special issue on “Green chemical process and intensification”

《化学科学与工程前沿（英文）》 2022年第16卷第11期页码 1533-1535 doi: 10.1007/s11705-022-2263-y

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Green process to recover magnesium chloride from residue solution of potassium chloride production plant

WANG Lin, HE Yunliang, WANG Yanfei, BAO Ying, WANG Jingkang

《化学科学与工程前沿（英文）》 2008年第2卷第4期页码 385-389 doi: 10.1007/s11705-008-0079-z

摘要： The green process to recover magnesium chloride from the residue solution of a potassium chloride production plant, which comes from the leach solution of a potash mine in Laos, is designed and optimized. The residue solution contains magnesium chloride above 25 wt-%, potassium chloride and sodium chloride together below 5 wt-% and a few other ions such as Br, SO and Ca. The recovery process contains two steps: the previous impurity removal operation and the two-stage evaporation-cooling crystallization procedure to produce magnesium chloride. The crystallized impurity carnallite obtained from the first step is recycled to the potassium chloride plant to recover the potassium salt. The developed process is a zero discharge one and thus fulfills the requirements for green chemical industrial production. The produced magnesium chloride is up to industrial criteria.

关键词： industrial production chemical industrial produced magnesium chloride production impurity carnallite

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Multiscale process systems engineering—analysis and design of chemical and energy systems from moleculardesign up to process optimization

《化学科学与工程前沿（英文）》 2022年第16卷第2期页码 137-140 doi: 10.1007/s11705-021-2135-x

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Process development for green part printing using binder jetting additive manufacturing

Hadi MIYANAJI, Morgan ORTH, Junaid Muhammad AKBAR, Li YANG

《机械工程前沿（英文）》 2018年第13卷第4期页码 504-512 doi: 10.1007/s11465-018-0508-8

摘要：

Originally developed decades ago, the binder jetting additive manufacturing (BJ-AM) process possesses various advantages compared to other additive manufacturing (AM) technologies such as broad material compatibility and technological expandability. However, the adoption of BJ-AM has been limited by the lack of knowledge with the fundamental understanding of the process principles and characteristics, as well as the relatively few systematic design guideline that are available. In this work, the process design considerations for BJ-AM in green part fabrication were discussed in detail in order to provide a comprehensive perspective of the design for additive manufacturing for the process. Various process factors, including binder saturation, in-process drying, powder spreading, powder feedstock characteristics, binder characteristics and post-process curing, could significantly affect the printing quality of the green parts such as geometrical accuracy and part integrity. For powder feedstock with low flowability, even though process parameters could be optimized to partially offset the printing feasibility issue, the qualities of the green parts will be intrinsically limited due to the existence of large internal voids that are inaccessible to the binder. In addition, during the process development, the balanced combination between the saturation level and in-process drying is of critical importance in the quality control of the green parts.

关键词： binder jetting additive manufacturing green part process optimization process development

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绿色化工

陈建峰

《工程（英文）》 2017年第3卷第3期页码 283-284 doi: 10.1016/J.ENG.2017.03.025

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Progress on cleaner production of vinyl chloride monomers over non-mercury catalysts

Jinli ZHANG, Nan LIU, Wei LI, Bin DAI

《化学科学与工程前沿（英文）》 2011年第5卷第4期页码 514-520 doi: 10.1007/s11705-011-1114-z

摘要： Polyvinyl chloride (PVC) has become the third most used plastic after polyethylene and polypropylene and the worldwide demand continues to increase. Polyvinyl chloride is produced by polymerization of the vinyl chloride monomer (VCM), which is manufactured industrially via the dehydrochlorination of dichloroethane or the hydrochlorination of acetylene. Currently PVC production through the acetylene hydrochlorination method accounts for about 70% of the total PVC production capacity in China. However, the industrial production of VCM utilizes a mercuric chloride catalyst to promote the reaction of acetylene and hydrogen chloride. During the hydrochlorination, the highly toxic mercuric chloride tends to sublime, resulting in the deactivation of the catalyst and also in severe environmental pollution problems. Hence, for China, it is necessary to explore environmental friendly non-mercury catalysts for acetylene hydrochlorination as well as high efficiency novel reactors, with the aim of sustainable PVC production via the acetylene-based method. This paper presents a review of non-mercury heterogeneous and homogeneous catalysts as well as reactor designs, and recommends future work for developing cleaner processes to produce VCM over non-mercury catalysts with high activity and long stability.

关键词： polyvinyl chloride vinyl chloride monomer acetylene hydrochlorination non-mercury catalysts green chemical process

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Hybrid method integrating machine learning and particle swarm optimization for smart chemical process

Haoqin Fang, Jianzhao Zhou, Zhenyu Wang, Ziqi Qiu, Yihua Sun, Yue Lin, Ke Chen, Xiantai Zhou, Ming Pan

《化学科学与工程前沿（英文）》 2022年第16卷第2期页码 274-287 doi: 10.1007/s11705-021-2043-0

摘要： Modeling and optimization is crucial to smart chemical process operations. However, a large number of nonlinearities must be considered in a typical chemical process according to complex unit operations, chemical reactions and separations. This leads to a great challenge of implementing mechanistic models into industrial-scale problems due to the resulting computational complexity. Thus, this paper presents an efficient hybrid framework of integrating machine learning and particle swarm optimization to overcome the aforementioned difficulties. An industrial propane dehydrogenation process was carried out to demonstrate the validity and efficiency of our method. Firstly, a data set was generated based on process mechanistic simulation validated by industrial data, which provides sufficient and reasonable samples for model training and testing. Secondly, four well-known machine learning methods, namely, K-nearest neighbors, decision tree, support vector machine, and artificial neural network, were compared and used to obtain the prediction models of the processes operation. All of these methods achieved highly accurate model by adjusting model parameters on the basis of high-coverage data and properly features. Finally, optimal process operations were obtained by using the particle swarm optimization approach.

关键词： smart chemical process operations data generation hybrid method machine learning particle swarm optimization

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绿色化工应用导向的金属-有机框架材料研究概述 Review

孔祥婧, 李建荣

《工程（英文）》 2021年第7卷第8期页码 1115-1139 doi: 10.1016/j.eng.2021.07.001

摘要：

快速的工业化进程导致当今全球性的能源和环境危机，以推动科技进步、解决相关挑战为目标，发展新型功能材料的重要性与日俱增。近年来，金属-有机框架（MOF）以及MOF衍生物材料引起了广泛关注，促使我们继续进行其结构设计和应用性能方面的探索。MOF材料的制备、表征和加工成型是实现其工业应用的基础。研究人员已经围绕这些主题开展了大量的工作，以绿色化工应用为导向，充分发挥功能性优势，推动MOF材料大规模的工业应用也应当被提上日程。在解决实际问题的过程中，许多经典MOF表现出了相对传统材料的优越性。文中将从MOF化学中的基本概念出发，讨论了MOF材料的工业合成进展及其在多个领域中的应用现状，旨在提供一个系统的研究概述，引导研究者逐渐将研究思路从学术研究转向实际应用。在成本、规模化生产、加工成型和稳定性等挑战被逐一突破之后，MOF及其衍生物材料有望走进工厂，成为我们日常生活中的一部分，进而为人类创造一个基于绿色生产和生活方式的新时代。

关键词：金属-有机框架应用绿色化工

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Green catalytic engineering: A powerful tool for sustainable development in chemical industry

Kequan Chen, Dangguo Cheng, Chong Peng, Dan Wang, Jintao Zhang

《化学科学与工程前沿（英文）》 2018年第12卷第4期页码 835-837 doi: 10.1007/s11705-018-1756-1

摘要：

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Computational design of structured chemical products

Faheem Mushtaq, Xiang Zhang, Ka Y. Fung, Ka M. Ng

《化学科学与工程前沿（英文）》 2021年第15卷第5期页码 1033-1049 doi: 10.1007/s11705-020-2002-1

摘要： In chemical product design, the aim is to formulate a product with desired performance. Ingredients and internal product structure are two key drivers of product performance with direct impact on the mechanical, electrical, and thermal properties. Thus, there is a keen interest in elucidating the dependence of product performance on ingredients, structure, and the manufacturing process to form the structure. Design of product structure, particularly microstructure, is an intrinsically complex problem that involves different phases of different physicochemical properties, mass fraction, morphology, size distribution, and interconnectivity. Recently, computational methods have emerged that assist systematic microstructure quantification and prediction. The objective of this paper is to review these computational methods and to show how these methods as well as other developments in product design can work seamlessly in a proposed performance, ingredients, structure, and manufacturing process framework for the design of structured chemical products. It begins with the desired target properties and key ingredients. This is followed by computation for microstructure and then selection of processing steps to realize this microstructure. The framework is illustrated with the design of nanodielectric and die attach adhesive products.

关键词： product design performance ingredients structure manufacturing process framework structured chemical products microstructure design

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Applying chemical sedimentation process in drinking water treatment plant to address the emergent arsenic

Pengfei LIN,Xiaojian ZHANG,Hongwei YANG,Yong LI,Chao CHEN

《环境科学与工程前沿（英文）》 2015年第9卷第1期页码 50-57 doi: 10.1007/s11783-014-0733-2

摘要： Arsenic (As) spills occurred more frequently and sometimes polluted water sources in recent years in China. It is as urgent need to develop emergency treatment technologies to address the arsenic threat for large-scale water treatment plants. In response, we developed a chemical sedimentation technology to remove arsenic contaminants for water treatment plants. Bench-scale experiments were conducted to investigate the efficiency of arsenic removal and the influencing factors of the chemical sedimentation treatment process. The influencing factors included the choice and dosage of coagulants, the valence of arsenic and pH value of solution. The As(V) contaminants can be almost completely removed by ferric or alum coagulants. The As(III) contaminants are more recalcitrant to chemical sedimentation, 75% for ferric coagulant and 40% for alum coagulant. The quantitative results of arsenic removal load by different ferric or alum coagulants were presented to help determine the parameters for arsenic treatment technology. The dominant mechanism for arsenic removal is static combination, or adsorption of negative arsenic species onto positive ferric hydroxide or alum hydroxide flocs. The efficiency of this treatment technology has also been demonstrated by a real production test in one water treatment plant with arsenic-rich source water and one emergency response. This technology was verified to be quick to set-up, easy to operate and highly efficient even for high concentration of arsenic.

关键词： Arsenic spill chemical sedimentation coagulation drinking water emergency treatment

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绿色化工让生活更美好

陈建峰

《工程（英文）》 2017年第3卷第3期页码 279-279 doi: 10.1016/J.ENG.2017.03.028

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Physical and chemical processes of wintertime secondary nitrate aerosol formation

Qi YING

《环境科学与工程前沿（英文）》 2011年第5卷第3期页码 348-361 doi: 10.1007/s11783-011-0343-1

摘要： The UCD/CIT model was modified to include a process analysis (PA) scheme for gas and particulate matter (PM) to study the formation of secondary nitrate aerosol during a stagnant wintertime air pollution episode during the California Regional PM /PM Air Quality Study (CRPAQS) where detailed measurements of PM components are available at a few sites. Secondary nitrate is formed in the urban areas from near the ground to a few hundred meters above the surface during the day with a maximum modeled net increase rate of 4 μg·m ·d during the study episode. The secondary nitrate formation rate in rural areas is lower due to lower NO . In the afternoon hours, near-surface temperature can be high enough to evaporate the particulate nitrate. In the nighttime hours, both the gas phase N O reactions with water vapor and the N O heterogeneous reactions with particle-bound water are important for secondary nitrate formation. The N O reactions are most import near the surface to a few hundred meters above surface with a maximum modeled net secondary nitrate increase rate of 1 μg·m ·d and are more significant in the rural areas where the O concentrations are high at night. In general, vertical transport during the day moves the nitrate formed near the surface to higher elevations. During the stagnant days, process analysis indicates that the nitrate concentration in the upper air builds up and leads to a net downward flux of nitrate through vertical diffusion and a rapid increase of surface nitrate concentration.

关键词： secondary nitrate aerosol N₂O₅ heterogeneous reaction process analysis

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人工智能在过程工业绿色制造中的机遇与挑战

毛帅, 王冰, 唐漾, 钱锋

《工程（英文）》 2019年第5卷第6期页码 995-1002 doi: 10.1016/j.eng.2019.08.013

摘要：

智能制造是提高过程工业质量的关键。在智能制造中，有这样一种趋势：将各种新一代信息技术融合到过程安全分析中。目前，由于危险化学品的大量使用，绿色制造面临着安全管理方面的重大障碍，从而导致化工过程空间的不均匀化以及安全环保法规的日益严格化。新兴的信息技术，如人工智能（AI），作为克服这些困难的一种手段，是很有前景的。基于最先进的人工智能方法和过程工业中复杂的安全关系，我们识别并讨论了与过程安全相关的几个技术挑战：用过程安全的稀缺标签进行知识获取；基于知识的过程安全推理；不同来源异构数据的精确融合；以及动态风险评估和辅助决策的有效学习。在此背景下，本文还讨论了当前和未来的工作。

关键词：过程工业智能制造绿色制造人工智能