Three-dimensional quantitative structure-activity relationship study for phenylsulfonyl carboxylates using CoMFA and CoMSIA

From both the comparative molecular field analysis (CoMFA) and the comparative molecular similarity indices analysis (CoMSIA), the paper describes two three-dimensional quantitative structure-activity relationship (3D-QSAR) models for the acute toxicity logEC50 (15 min-EC50 in micromoll(-1)) of 56 phenylsulfonyl carboxylates on Photobacterium phosphoreum. Two models yield the leave-one-out cross-validated correlation coefficient q2 values of 0.823 and 0.713, and the conventional correlation coefficient r2 values of 0.958 and 0.933, respectively. The achievement of higher q2 and r2 values of CoMFA model indicates the significance of correlation of steric and electrostatic fields with biological activities. The key features in the CoMFA contour maps are critical to trace the important properties and gain insight into the toxic mechanism of tested compounds. The quality of CoMSIA model is slightly lower than that of CoMFA in terms of q2 and r2 values. Not requiring molecular superposition, CoMSIA is faster than CoMFA in data processing.     

黄磷废水处理工艺比较

针对黄磷废水的两种处理工艺做了详细的分析和比较 ,结果表明 ,对不同规模的黄磷生产厂 ,可采用不同的处理工艺 ,但最好是采用主动式黄磷废水处理工艺。主动式黄磷废水处理工艺能使黄磷废水经处理后达到GB8978 1996规定的国家一级排放标准。     

石灰在石煤钙化焙烧中固硫作用的研究

本研究对石煤清洁焙烧工艺 (钙化焙烧 )进行了研究 ,发现钙化焙烧除可完全避免钠化焙烧过程中Cl2 、HCl等有害气体的产生外 ,石灰在焙烧过程中有很好的固硫效果。实验结果表明 ,当焙烧温度不高于 10 0 0℃ ,石灰加入量为理论量的 1.4倍以上时 ,保证适当的焙烧时间与空气量 ,石灰的固硫率可达 99%。     

南京市大气气溶胶中颗粒物和正构烷烃特征及来源分析

于2002年夏季（7月）和冬季（12月）采集南京市5个功能区的大气气溶胶（PM2．5和PM10）样品，对两个季节不同功能区颗粒物及其颗粒物中正构烷烃的分布特征和污染来源进行了分析。结果表明，南京市大气颗粒物含量冬季高于夏季，细颗粒高于粗颗粒。正构烷烃的变化规律同颗粒物一致，且主要分布在细颗粒物上。根据各个功能区正构烷烃（C15-C32）的CPI（CPI1、CPI2和CPI3）结果，可知南京市大气气溶胶中正构烷烃由生物源和人为源共同排放产生。％waxCn的结果表明生物源对气溶胶中正构烷烃的贡献率为20％～43％，对南京市大气颗粒物的贡献率为1．66％～4．76％。     

Preparation and reactivation of magnetic biochar by molten salt method: Relevant performance for chlorine-containing pesticides abatement

Molten salt has been regarded as a versatile and environmental-friendly method for the material preparation and waste destruction. In this work, molten FeCl3 was utilized for the generation of magnetic biochar (MBC) derived from simultaneous activation and magnetization of biomass. The sample characterization indicated that MBC had a rough surface with BET surface area of 404 m2/g and total pore volume of 0.35cm3/g. Highly dispersed Fe3O4 and nitrogen could be deposited on the surface, leading to an excellent magnetization property. The MBC exhibited a great 2,4-Dichlorophenol (2.4-DCP) and atrazine removal performance in solution with the maximum adsorption capacity achieved 298.12 mg/g and 102.17 mg/g. Kinetics results demonstrated that MBC adsorption met the Pseudo-first-order model better. Molten NaOH-Na2CO3 was provided for the re-activation of exhausted MBC. 2,4-DCP was firstly desorbed from the MBC and subsequently destructed by the active species in the melt medium. Chlorine can be captured in the molten alkaline medium from the XRD pattern of residues.The MBC could be easily recovered with a yield of 98.2% and fixed carbon content of 61.0% after the molten salt regeneration process. With no 2,4-DCP detected, 65.5% and 31.69% of initial Cl was found in washing water and residues with the molten NaOH-Na2CO3, respectively. After 4 cycles of regeneration and adsorption, 60.55%-72.22% of initial adsorption capacity can be kept. This preparation and regeneration method can be an effective way to reduce the risk of secondary pollution of chlorinated organic compounds during adsorbent regeneration.

Implications: Molten salt (MS) is a salt or multiple salts with a low melting point, and has been applied in many sectors and is regarded as a crucial role in terms of energy, environmental, and resource sustainability. In our paper, magnetic biochar was prepared by one-step activation and magnetization of fir dust using molten FeCl₃?6H₂O. Meanwhile, a regeneration method using molten alkaline salt was provided. Magnetic biochar generated in our study performed well in the 2,4-dichlorophenol and atrazine adsorption. After four cycles of regeneration and adsorption, 72.2% of initial 2,4-DCP adsorption capacity can be kept.     

磷酸三丁酯(TBP)对苯酚的络合萃取

基于可逆络合反应的萃取分离方法对极性有机物稀溶液具有高效性和高选择性.本文系统进行了磷酸三丁酯(TBP)对苯酚稀溶液的络合萃取的实验研.负载有机相的红外谱图分析表明,TBP与苯酚通过氢键缔合形成萃合物.以TBP-煤油为萃取剂对工业含酚废水进行了萃取平衡和错流萃取实验.讨论了其应用的可能性及开发新的有效的络合萃取剂的途径.     

Characteristics and ozone formation potential of volatile organic compounds in emissions from a typical Chinese coking plant

Coking industry is an important volatile organic compounds (VOCs) emission source in China, however, detailed information on VOCs emissions is lacking. Therefore, we selected a typical mechanized coking plant and collected air samples according to the Emission Standard of Pollutants for Coking Chemical Industry (GB16171-2012). Using gas chromatography-mass spectrometry method, we analyzed the VOCs in the air samples, and applied maximum increment reactivity (MIR) rule to estimate ozone formation potential (OFP) of the VOCs emitted from the coke production. More than 90 VOCs species were detected from the coking plant, including alkanes, alkenes, alkynes, aromatic hydrocarbons, halogenated hydrocarbons and oxygenated VOCs. The concentrations of VOCs (ρ(VOCs)) generated at different stages of the coking process are significantly different. ρ(VOCs) from coke oven chimney had the highest concentration (87.1 mg/m³), followed by coke pushing (4.0 mg/m³), coal charging (3.3 mg/m³) and coke oven tops (1.1 mg/m³). VOCs species emitted from the coke production processes were dominated by alkanes and alkenes, but the composition proportions were different at the different stages. Alkenes were the most abundant emission species in flue gases of the coke oven chimney accounting for up to 66% of the total VOCs, while the VOCs emissions from coke pushing and coal charging were dominated by alkanes (36% and 42%, respectively), and the alkanes and alkenes emitted from coke oven top were similar (31% and 29%, respectively). Based on above results, reduction of VOCs emissions from coke oven chimney flue gases is suggested to be an effective measure, especially for alkenes.     

Water regime-nitrogen fertilizer incorporation interaction: Field study on methane and nitrous oxide emissions from a rice agroecosystem in Harbin, China

Water regime and nitrogen (N) fertilizer are two important factors impacting greenhouse gases (GHG) emission from paddy field, whereas their effects have not been well studied in cold region. In this study, we conducted a two-year field experiment to study the impacts of water regime and N fertilizer on rice yields and GHG emissions in Harbin, China, a cold region located in high latitudes. Our results showed that intermittent irrigation significantly decreased methane (CH₄) emission compared with continuous flooding, however, the decrement was far lower than the global average level. The N₂O emissions were very small when flooded but peaked at the beginning of the disappearance of floodwater. The N fertilizer treatments increased CH₄ emissions at low level (75kgN/ha). But both CH₄ and N₂O emissions were uninfluenced at the levels of 150kgN/ha and 225kgN/ha. Rice yields increased under intermittent irrigation and were highest at the level of 150kgN/ha. From our results, we recommended that the intermittent irrigation and 150kgN/ha as the ideal water regime-nitrogen fertilizer incorporation for this area to achieve low GHG emissions without impacting rice yields.     

水资源危机与节水农业

论述了当今世界水资源危机的现状，引起水资源危机的主要原因；认为发展节水农业是缓解水资源危机的重要举措，并概述了节水农业的技术现状和节水农业今后的发展趋势．     

土壤和地下水中污染物迁移模型研究进展

国内外学者已建立了多种模型来描述污染物在土壤和地下水中的环境行为。要选择一个合适的模型在实际中成功地应用,或建立一个新的模型,必须掌握和了解污染物迁移模型的研究现状。文章评述了现有的模型,并对模型的结构作了一定的阐述。