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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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Special Issue for the Future Chemical Engineering Scholars of Global Chinese Chemical Engineering Symposium

《化学科学与工程前沿（英文）》 2022年第16卷第6期页码 775-776 doi: 10.1007/s11705-022-2172-0

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Insight of chemical environmental risk and its management from the vinyl chloride accident

《环境科学与工程前沿（英文）》 2023年第17卷第4期 doi: 10.1007/s11783-023-1652-x

摘要： The combustion of vinyl chloride (VC) after the train derailment accident in Ohio, USA in February, 2023 has caused widespread concern around the world. This paper tried to analyze several issues concerning the accident, including the appropriateness of the VC combustion in the emergency response in this accident, the meanings of so-called “controlled combustion”, the potential environmental risks caused by VC and combustion by-products, and follow-up work. In our view, this accident had surely caused environmental and health risks to some extent. Hence, a comprehensive environmental risk assessment is necessary, and then the site with risk should be comprehensively remediated, hazardous waste should be harmlessly treated as soon as possible. Finally, this accident suggests that further efforts should be taken to bridge the gap between chemical safety management and their environmental risk management.

关键词： Vinyl chloride Combustion Chemical safety management Environmental risk Emerging contaminants

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Effects of sulfur on variations in the chemical speciation of heavy metals from fly ash glass

《环境科学与工程前沿（英文）》 2023年第17卷第10期 doi: 10.1007/s11783-023-1728-7

摘要：

● A higher sulfur content reduced the curing rate of Cr in glass.

关键词： Dechlorinated fly ash SO₃ Heavy metal Chemical speciation Glass solidification

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我国林产化学工业发展的新动向

宋湛谦

《中国工程科学》 2001年第3卷第2期页码 1-6

摘要：

林产化学工业是将可再生的森林资源经过化学加工生产出各种有用的产品。它是森林资源高效可持续利用的一个重要组成部分。文章介绍我国林产化学工业的现状，并指出今后发展方向，即加强创新研究，开发深加工产品；推进林产化工企业向大型化发展；发展木材制浆造纸和开发木质能源。

关键词：林产化学工业森林资源化学加工

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Bioinspired and biomimetic membranes for water purification and chemical separation: A review

《环境科学与工程前沿（英文）》 2021年第15卷第6期 doi: 10.1007/s11783-021-1412-8

摘要：

•The history of biological and artificial water channels is reviewed.

关键词： Aquaporins Artificial water channels Biomimetic membranes Chemical separation and water purification

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Chemical transdifferentiation: closer to regenerative medicine

null

《医学前沿（英文）》 2016年第10卷第2期页码 152-165 doi: 10.1007/s11684-016-0445-z

摘要：

Cell transdifferentiation, which directly switches one type of differentiated cells into another cell type, is more advantageous than cell reprogramming to generate pluripotent cells and differentiate them into functional cells. This process is crucial in regenerative medicine. However, the cell-converting strategies, which mainly depend on the virus-mediated expression of exogenous genes, have clinical safety concerns. Small molecules with compelling advantages are a potential alternative in manipulating cell fate conversion. In this review, we briefly retrospect the nature of cell transdifferentiation and summarize the current developments in the research of small molecules in promoting cell conversion. Particularly, we focus on the complete chemical compound-induced cell transdifferentiation, which is closer to the clinical translation in cell therapy. Despite these achievements, the mechanisms underpinning chemical transdifferentiation remain largely unknown. More importantly, identifying drugs that induce resident cell conversion in vivo to repair damaged tissue remains to be the end-goal in current regenerative medicine.

关键词： cell therapy cell transdifferentiation chemical compounds small molecules tissue regeneration

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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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Hexachlorobutadiene emissions from typical chemical plants

Minxiang Wang, Lili Yang, Xiaoyun Liu, Zheng Wang, Guorui Liu, Minghui Zheng

《环境科学与工程前沿（英文）》 2021年第15卷第4期 doi: 10.1007/s11783-020-1352-8

摘要： Abstract • Unintentional HCBD production in typical chemical plants was investigated. • The highest HCBD concentrations were found in the bottom residue. • Tri/tetrachloroethylene production processes were important HCBD sources. Hexachlorobutadiene (HCBD) was classed as a persistent organic pollutant under the Stockholm Convention in 2015. HCBD is mainly an unintentionally produced by-product of chlorinated hydrocarbon (e.g., trichloroethylene and tetrachloroethylene) synthesis. Few studies of HCBD formation during chemical production processes have been performed, so HCBD emissions from these potentially important sources are not understood. In this study, HCBD concentrations in raw materials, intermediate products, products, and bottom residues from chemical plants producing chlorobenzene, trichloroethylene, and tetrachloroethylene were determined. The results indicated that HCBD is unintentionally produced at much higher concentrations in trichloroethylene and tetrachloroethylene plants than chlorobenzene plants. The sum of the HCBD concentrations in the samples from all of the trichloroethylene and tetrachloroethylene production stages in plant PC was 247000 mg/mL, about three orders of magnitude higher than the concentrations in the tetrachloroethylene production samples (plant PB) and about six orders of magnitude higher than the concentrations in the chlorobenzene production samples (plant PA). The HCBD concentrations were highest in bottom residues from all of the plants. The concentrations in the bottom residue samples contributed 24%–99% of the total HCBD formed in the chemical production plants. The bottom residue, being hazardous waste, could be disposed of by incineration. The HCBD concentrations were much higher in intermediate products than raw materials, indicating that HCBD formed during production of the intended chemicals. The results indicate the concentrations of HCBD unintentionally produced in typical chemical plants and will be useful in developing protocols for controlling HCBD emissions to meet the Stockholm Convention requirements.

关键词： Hexachlorobutadiene Chemical plant Chlorobenzene Trichloroethylene Tetrachloroethylene

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Opportunities and challenges for a Golden Age of chemical engineering

Phillip R. WESTMORELAND

《化学科学与工程前沿（英文）》 2014年第8卷第1期页码 1-7 doi: 10.1007/s11705-014-1416-z

摘要： Chemical engineering is entering a new Golden Age of practice, thought, and impact, accompanied by great new opportunities and challenges. Five aspects mark this development: a new abundance of hydrocarbons; the evolution of biology into a molecular science; the ubiquity of powerful computational tools; the trend in manufacturing to be more process-oriented; and the systems approach that is part of ChE education from its first stages. There are important technical challenges, including technology creation and environmental impact, but just as important are new appreciation for and attention to challenges that require societal dialogues about complexity, uncertainty, and evolving and sometimes contradictory requirements. Crucial to all these impacts is enhancing the identity of what the profession is. That must be based on recognizing that the core of chemical engineering is applying molecular sciences to create value and advance the quality of life.

关键词： hydrocarbons biotechnology computation cyberinfrastructure manufacturing environmental

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Two-dimensional numerical and eco-toxicological modeling of chemical spills

Suiliang HUANG, Yafei JIA, Sam S. Y. WANG

《环境科学与工程前沿（英文）》 2009年第3卷第2期页码 178-185 doi: 10.1007/s11783-009-0020-9

摘要： The effects of chemical spills on aquatic non-target organisms were evaluated in this study. Based on a review of three types of current eco-toxicological models of chemicals, i.e., ACQUATOX model of the US-EPA, Hudson River Model of PCBs, and critical body residual (CBR) model and dynamic energy budget (DEBtox) model, this paper presents an uncoupled numerical eco-toxicological model. The transport and transformation of spilled chemicals were simulated by a chemical transport model (including flow and sediment transport), and the mortalities of an organism caused by the chemicals were simulated by the extended threshold damage model, separately. Due to extreme scarcity of data, this model was applied to two hypothetical cases of chemical spills happening upstream of a lake. Theoretical analysis and simulated results indicated that this model is capable of reasonably predicting the acute effects of chemical spills on aquatic ecosystems or organism killings.

关键词： chemical spills acute effects aquatic ecosystem eco-toxicological modeling

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EFFICIENT CONTAMINANT REMOVAL FROM LIQUID DIGESTATE OF PIG MANURE BY CHEMICAL PRECIPITATION AND CO MINERALIZATION

《农业科学与工程前沿（英文）》 2023年第10卷第3期页码 479-491 doi: 10.15302/J-FASE-2023480

摘要：

● LFD was treated by fly ash-based chemical precipitation and CO₂ mineralization.

关键词： anaerobic digestion chemical oxygen demand fly ash ion removal total phosphate

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A glance of excellence in chemical science and engineering at Tianjin University: A special issue dedicated

《化学科学与工程前沿（英文）》 2015年第9卷第3期页码 259-261 doi: 10.1007/s11705-015-1537-z

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Reduction kinetics of SrFeO/CaO∙MnO nanocomposite as effective oxygen carrier for chemical looping partial

《化学科学与工程前沿（英文）》 2022年第16卷第12期页码 1726-1734 doi: 10.1007/s11705-022-2188-5

摘要： Chemical looping reforming of methane is a novel and effective approach to convert methane to syngas, in which oxygen transfer is achieved by a redox material. Although lots of efforts have been made to develop high-performance redox materials, a few studies have focused on the redox kinetics. In this work, the kinetics of SrFeO_3−δ–CaO∙MnO nanocomposite reduction by methane was investigated both on a thermo-gravimetric analyzer and in a packed-bed microreactor. During the methane reduction, combustion occurs before the partial oxidation and there exists a transition between them. The weight loss due to combustion increases, but the transition region becomes less inconspicuous as the reduction temperature increased. The weight loss associated with the partial oxidation is much larger than that with combustion. The rate of weight loss related to the partial oxidation is well fitted by the Avrami–Erofeyev equation with n = 3 (A3 model) with an activation energy of 59.8 kJ∙mol^‒1. The rate law for the partial oxidation includes a solid conversion term whose expression is given by the A3 model and a methane pressure-dependent term represented by a power law. The partial oxidation is half order with respect to methane pressure. The proposed rate law could well predict the reduction kinetics; thus, it may be used to design and/or analyze a chemical looping reforming reactor.

关键词： chemical looping reforming SrFeO_3−δ/CaO·MnO nanocomposite reduction kinetics Avrami–Erofeyev model pressure-dependent term

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Modification of the activated sludge model for chemical dosage

Shuai MA,Siyu ZENG,Xin DONG,Jining CHEN,Gustaf OLSSON

《环境科学与工程前沿（英文）》 2015年第9卷第4期页码 694-701 doi: 10.1007/s11783-014-0732-3

摘要： Full-scale experiments have been carried out to adapt the activated sludge model ASM2d to include the influence of metal dosage (Fe and Al ) for phosphorus removal. Phosphorus removal rates, nitrification rates, as well as pH and sludge settling performance, were evaluated as functions of the metal dosages. Furthermore, models relating certain parameters to the dosage of chemicals have been derived. Corresponding parameters in the ASM2d and the secondary settler models, included in the Benchmark Simulation Model No 1 (BSM1), have been modified to take the metal influence into consideration. Based on the effluent limits and penalty policy of China, an equivalent evaluation method was derived for the total cost assessment. A large number of 300-day steady-state and 14-day open-loop dynamic simulations were performed to demonstrate the difference in behavior between the original and the modified BSM1. The results show that 1) both in low and high mole concentrations, Fe addition results in a higher phosphorus removal rate than Al ; 2) the sludge settling velocity will increase due to the metal addition; 3) the respiration rate of the activated sludge is decreased more by the dosage of Al than Fe ; 4) the inhibition of Al on the nitrification rate is stronger than that of Fe ; 5) the total operating cost will reach the minimum point for smaller dosages of Fe , but always increase with Al addition.

关键词： chemical precipitation benchmark simulation model phosphorus removal respiratory rate sludge settling activated sludge model