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The thermal transformation mechanism of chlorinated paraffins:An experimental and density functional theory study

Journal of Environmental Sciences 2019年第1期31卷 378-387页

作者： Shanzhi Xin Wei Gao DANDan Cao Kun Lv Yaquan Liu Chunyan Zhao Yawei Wang Guibin Jiang State Key Laboratory of Environmental Chemistry and Ecotoxicology Research Center for Eco-Environmental Sciences Chinese Academy of Sciences Hubei Key Laboratory of Industrial Fume and Dust Pollution Control Jianghan University University of Chinese Academy of Sciences Environment Research Institute Shandong University School of Pharmacy Lanzhou University Institute of Environment and Health Jianghan University

The increasing production and usage of chlorinated paraffins(CPs) correspondently increase the amount of CPs that experience thermal processes. Our previous study revealed that a significant amount of medium-chain chlorinated paraffins(MCCPs), short-chain chlorinated paraffins(SCCPs) as well as aromatic and chlorinated polycyclic aromatic hydrocarbons(Cl-PAHs) were formed synergistically during the thermal decomposition of CP-52(a class of CP products).However, the transformation mechanisms of CP-52 to these compounds are still not very *** article presents a mechanistic analysis on the decomposition of CP-52 experimentally and theoretically. It was found that CP-52 initially undergoes dehydrochlorination and carbon chain cleavage and it transformed into chlorinated and unsaturated hydrocarbons. Cyclization and aromatization were the most accessible pathways at low temperatures(200–400°C), both of which produce mostly aromatic hydrocarbons. As the temperature exceeds 400°C, the hydrocarbons could decompose into small molecules, and the subsequent radical-induced reactions become the predominant pathways, leading to the formation of Cl-PAHs. The decomposition of CP-52 was investigated by using density functional theory and calculations demonstrating the feasibility and rationality of PCB and PCN formation from chlorobenzene. The results improve the understanding of the transformation processes from CP-52 to SCCPs and Cl-PAHs as well as provide data for reducing their emissions during thermal-related processes.

关键词： Decomposition mechanism chlorinated paraffins chlorinated aromatic hydrocarbons Density functional theory (DFT)

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A chlorinated low-bandgap small-molecule acceptor for organic solar cells with 14.1% efficiency and low energy loss

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Science China Chemistry 2018年第10期61卷 1307-1313页

作者： Bin Kan Huanran Feng Huifeng Yao Meijia Chang Xiangjian Wan Chenxi Li Jianhui Hou Yongsheng Chen State Key Laboratory and Institute of Elemento-Organic Chemistry The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials College of Chemistry Nankai University State Key Laboratory of Polymer Physics and Chemistry Beijing National Laboratory for Molecular Sciences CAS Research/Education Center for Excellence in Molecular Sciences Institute of Chemistry Chinese Academy of Sciences

A new acceptor-donor-acceptor(A-D-A) type small-molecule acceptor NCBDT-4 Cl using chlorinated end groups is *** new-designed molecule demonstrates wide and efficient absorption ability in the range of 600–900 nm with a narrow optical bandgap of 1.40 eV. The device based on PBDB-T-SF:NCBDT-4 Cl shows a power conversion efficiency(PCE) of 13.1%without any post-treatment, which represents the best result for all as-cast organic solar cells(OSCs) to date. After device optimizations, the PCE was further enhanced to over 14% with a high short-circuit current density(Jsc) of 22.35 m A cm-2 and a fill-factor(FF) of 74.3%. The improved performance was attributed to the more efficient photo-electron conversion process in the optimal device. To our knowledge, this outstanding efficiency of 14.1% with an energy loss as low as 0.55 eV is among the best results for all single-junction OSCs.

关键词： small-molecule acceptor low-bandgap chlorinated high performance

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Validation of a HRGC–ECNI/LRMS method to monitor short-chain chlorinated paraffins in human plasma

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Journal of Environmental Sciences 2019年第1期31卷 289-295页

作者： Jiazhi Xu Weijing Guo Linhuan Wei Yuan Gao Haijun Zhang Yichi Zhang Ming Sun Jiping Chen CAS Key Laboratory of Separation Science for Analytical Chemistry Dalian Institute of Chemical Physics Chinese Academy of Sciences University of Chinese Academy of Sciences Dalian Center for Disease Control and Prevention

Short-chain chlorinated paraffins(SCCPs) are produced in high volume and have the high potential to pose a threat to human health. However, little information is available for SCCP contamination in human blood/plasma/serum, mainly due to the difficulty of sample preparation and quantitative analysis. A method using high resolution gas chromatography coupled with electron capture negative ionization low resolution mass spectrometry(HRGC–ECNI/LRMS) was developed and validated to measure SCCPs in human plasma. The pretreatment process included protein denaturation and lipid elimination, liquid–liquid extraction with a mixture of n-hexane/dichloromethane(1:1, V/V), and cleanup on a multilayer silica column. The blank controls, including procedural blank, vacuum blood collection tube blank, and instrumental blank, were the most pivotal points for the reliable analysis of SCCPs. The average value of procedural blanks was 9.0 ng/g; and the method detection limit(MDL), calculated as the sum of the average procedural blank value and 3 times of the standard deviation of the procedural blanks, was 12.6 ng/g plasma. The validated method was applied to measure the concentrations of the total SCCPs(∑ SCCPs) in50 plasma samples from a general population. The measured plasma concentrations of ∑SCCPs ranged from

关键词： Short-chain chlorinated paraffins sample preparation Quantitative analysis Human plasma

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MECHANICAL PROPERTIES OF chlorinated POLYPROPYLENE——POLYPYRROLE FILM

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Journal of China Textile University(English Edition) 1997年第4期14卷 1-6页

作者：江建明张玉梅李光 China Textile Univ Shanghai China

The chlorinated polypropylene (PPC1)-polypyrrole (PPy) conducting films were successfully synthesized by a novel method for the first time. The mechanical properties of PPC1-PPy conducting films were investigated by means of stress-strain test and DMA. It was shown that the rupture strength and initial modulus increase with the increase of polypyrrole content , but the elongation at rupture decrease. Besides, the glass transition temperature (Tg) is increasing to a plateau when polypyrrole content attains 6%. Moreover, a new mechanical model to describe the mechanical properties of PPC1-PPy blend system is established by changing the correction factor in Mooney model. It was found that the theoretic value of the model is well coincident with the experimental results.

关键词： polypyrrole chlorinated polypropylene conducting film mechanical properties

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Colorectal cancers and chlorinated water

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World Journal of Gastrointestinal Oncology 2016年第4期8卷 402-409页

作者： Ahmed Mahmoud El-Tawil Department of Surgery University Hospital Birmingham

Published reports have revealed increased risk of colorectal cancers in people exposed to chlorinated drinking water or chemical derivatives of chlorination. Oestrogen plays a dual positive functions for diminishing the possibilities of such risk by reducing the entrance, and increasing the excretion, of these chemicals. In addition, there are supplementary measures that could be employed in order to reduce this risk further, such as boiling the drinking water, revising the standard concentrations of calcium, magnesium and iron in the public drinking water and prescribing oestrogen in susceptible individuals. Hypo-methylation of genomic DNA could be used as a biological marker for screening for the potential development of colorectal cancers.

关键词： chlorinated drinking water Oestrogen Sex hormones Gender Colorectal cancers Trihalomethanes Carcinogenesis DNA hypo-methylation

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A chlorinated non-fullerene acceptor for efficient polymer solar cells

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Chinese Chemical Letters 2019年第12期30卷 2343-2346页

作者： Mei Luo Can Zhu Jun Yuan Liuyang Zhou M.L.Keshtov D.Yu Godovsky Yingping Zou College of Chemistry and Chemical Engineering Central South UniversityChangsha 410083China Nesmeyanov Institute of Organoelement Compounds Russian Academy of SciencesMoscow 119991Russia

Improving the performance and reducing the manufacturing costs are the main directions for the development of organic solar cells in the ***,the strategy that uses chemical structure modification to optimize the photoelectric properties is reported.A new narrow bandgap(1.30 eV)chlorinated non-fullerene electron acceptor(Y15),based on benzo[d][1,2,3] triazole with two 3-undecylthieno[2’,3’:4,5] thieno[3,2-b] pyrrole fused-7-heterocyclic ring,with absorption edge extending to the near-infrared(NIR) region,namely A-DA’D-A type structure,is designed and *** electrochemical and optoelectronic properties are systematically *** from its NIR light harvesting,the fabricated photovoltaic devices based on Y15 deliver a high power conversion efficiency(PCE) of 14.13%,when blending with a wide bandgap polymer donor *** results show that the A-DA’D-A type molecular design and application of near-infrared electron acceptors have the potential to further improve the PCE of polymer solar cells(PSCs).

关键词： Electron acceptor Y15 chlorinated Non-fullerene electron acceptors Efficient polymer solar cells Narrow bandgap

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STUDY OF MODIFIED AROMATIC POLYAMIDE SYNTHESIS AND CHARACTERISTICS OF chlorinated PPTA

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Journal of China Textile University(English Edition) 1989年第1期7卷 33-39页

作者：肖若鉴王曙忠屈风珍 Department of Textile Chemical Engineering

Super pure 2,5-dichloroterephthaloyl dichloride (DDC) was prepared by chlorination andcontrolled by Gas Chromatography(GC) method. As a third monomer, DDC waspolycondensated into chlorinated PPTA together with terephthaloyldichloide (TPDC) andparaphenylene diamine (PPDA). The polycondensation conditions and the relationship betweenthe thermal behavior, viscosity, solubility, phase transition temperature of the modifiedpolyamide and the third monomer content discussed in this paper.

关键词： modification (of polymer) aromatic polyamide liquid crystal fire resistance self-extinguishment chlorinated PPTA 2,5-dichloroterephthaloyl dichloride liquid crystal modified aromatic polyamide

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THE STUDY ON chlorinated POLYPROPYLENE (PPCI)-POLYPYRROLE (PPy) COMPOSITE FILM

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Journal of China Textile University(English Edition) 1990年第4期8卷 7-12页

作者：江建明戚慰先 Department of Chemical-Fibre Technology

The chlorinated polypropylene-polypyrrole composite film was synthesized by means of a newmethod for the first time. The effects of various conditions on polymerization and the electric con-ductivity of PPCl-PPy composite film were investigated. It was found that PPCl-FeCl3 mixturehad an excellent film-forming ability and PPCl-PPy composite film could attain high conductivityat low content of polypyrrole and was stable for heat and atmosphere.

关键词： chlorinated polypropylene,electric conductivity composition,polypyrrole,composite film

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Cu(II) Extraction in Ionic Liquids and chlorinated Solvents: Temperature Effect

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Green and Sustainable Chemistry 2011年第4期1卷 155-164页

作者： Raimondo Germani Maria V. Mancini Nicoletta Spreti Pietro Di Profio Gianfranco Savelli CEMIN Center of Excellence on Innovative Nanostructured Materials Department of Chemistry University of Perugia Department of Chemistry Chemical Engineering and Materials University of L"Aquila

Room temperature ionic liquids have been currently used in liquid/liquid extraction processes in order to substitute conventional organic solvents. In this paper, a series of chlorinated solvents and 1-alkyl-3-me- thylimidazolium-based ionic liquids were selected to study the extraction efficiency of a lipophilic polya- mine 1,1,7,7-tetraethyl-4-tetradecyldiethylenetriamine (TE14DT) towards the model ion Cu(II) in such dif-ferent media. The effect of temperature on the extraction efficiency was also investigated. The metal ion par-tition was found to be strongly dependent on both the nature of the solvent and on the working temperature. The viscosity of ionic liquids and the water content in ionic liquid were found to affect the extraction effi-ciency of TE14DT. The chemical nature of the cation of ionic liquids, and in particular the alkyl chain length on imidazolium ring, also seemed to be important in determining the efficiency of the extraction process. Finally, preliminary experiments on back-extraction of Cu(II) ions from ionic liquid also revealed interesting hints to the development of a continuous transport process.

关键词： chlorinated Solvents Liquid-Liquid Extraction Hydrophobic Ionic Liquids Lipophilic Polyamine Temperature Effect

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Use of Environmental Sequence Stratigraphy (ESS) as an Environmental Forensic Tool to Identify chlorinated Solvent Sources at a Complex Site in Silicon Valley, California

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Journal of Environmental Protection 2018年第5期9卷 554-566页

作者： Rick Cramer Jun Lu Mike Shultz Colin Plank Herb Levine Burns & McDonnell Brea California USA Hefei University of Technology Hefei China Burns & McDonnell Concord California USA Burns & McDonnell Grand Rapids Michigan USA United States Environmental Protection Agency Region IX San Francisco California USA

This paper presents a case study for a complex contaminated groundwater site impacted by a historical release of chlorinated solvents in Silicon Valley, California. The original conceptual site model (CSM) inferred a contaminant migration pathway based on the groundwater gradient interpreted from groundwater elevation data, which is based on the underlying assumption that the subsurface conditions are homogeneous. However, the buried channel deposits render the underlying geology highly heterogeneous, and this heterogeneity plays a significant role in the subsurface migration of contaminants. Chemical fingerprinting evidence suggested that contamination at the downgradient property boundary was related to an off-site contaminant source. But, this alone was not a compelling argument. However, Environmental Sequence Stratigraphy (ESS), a geology-based environmental forensic technique, was applied to define the permeability architecture or the “plumbing” that controls subsurface fluid flow and contaminant migration. First, the geologic and depositional setting was synthesized based on regional geologic data, and representative facies models were identified for the site. Second, the existing CSM and site lithology data were reviewed and existing lithology data were graphically presented to display vertical grain-size patterns. This analysis focused on the nexus between the depositional environment and the site-specific subsurface data resulting in correlations/interpretations between and beyond data points that are based on established stratigraphic principles. The depositional environment results in buried river channels as the primary control on subsurface fluid flow, which defines hydrostratigraphic units (or HSUs). Finally, a hydrostratigraphic CSM that includes maps and cross sections was constructed to depict the HSUs present as a framework to integrate hydro-geology and chemistry data. This study demonstrates that: 1) Highly per-meable buried river channel deposi

关键词： Environmental Sequence Stratigraphy Hydrostratigraphic Units HSU Contaminant Sources Source Identification Migration Pathways Depositional Environment chlorinated Solvents Environmental Forensic Tool

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