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31.
单环芳族化合物结构与生物降解性关系的统计分析 总被引:1,自引:0,他引:1
使用量子化学方法MOPAC6.0-AMI软件计算了42种单环芳族化合物的分子最高占有轨道能(EHOMO)、分子最低空轨道能(ELUMO)、分子生成热(Hf)、分子表面积(TSA)、偶极矩(μ)和分子量(Mw)值;从ClogP软件查得分子的辛醇/水分配系数lgP。对化合物的上述7种结构参数进行因子分析,提取3个主因子可代表化合物的绝大部分结构信息。根据因子得分,对化合物进行了聚类分析。分别以各个主亚类中的化合物为对象,进行结构-生物降解性关系分析,得到系列相关方程,所研究化合物的生物降解性主要与取代基的电子效应有关。 相似文献
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为进一步优化柴油机燃烧过程,减少燃烧污染物排放.围绕EGR(exhaust gas recirculation,废气再循环技术)废气组分和废气温度等系统参数对柴油机燃烧特征的影响机制,采用试验与模拟相结合方法,分别研究了通入废气、N2、CO2时以及不同EGR废气温度时对柴油机燃烧过程的影响,阐明了燃烧关键中间产物的生成规律.结果表明,①通入CO2时,柴油机的缸内最大爆发压力和放热率峰值最低,滞燃期最长,燃烧持续期最短,·OH、H2O2、CH2O·和CO等关键中间组分的生成规律与通入N2时相反.②通入N2时,柴油机的缸内最大爆发压力和放热率峰值最高,滞燃期最短,燃烧持续期最长并;并且通入N2时,·OH的峰值最高,形成时刻最早,H2O2、CH2O·以及CO的峰值均有所降低且形成时刻提前.③随着废气温度增加,缸内最大爆发压力降低,放热率曲线由单峰向双峰分布发展,放热率峰值有较大幅度的降低,滞燃期缩短,燃烧持续延长,缸内·OH、H2O2、CH2O·以及CO的峰值均有所降低,并且生成的区域范围变窄.④废气成分中,CO2对燃烧过程和关键中间产物的影响最大,是阻滞燃烧反应的主要气体成分,通过控制EGR废气成分和温度可以有效改善柴油机燃烧过程,拓宽EGR技术的工况使用范围.研究显示,EGR废气成分对燃烧中间产物的自由基衍化历程影响较大,有必要进一步开展EGR废气成分预处理研究,精确控制EGR废气温度,有助于改善燃烧过程,控制排放污染物中间产物的生成历程和排放量. 相似文献
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Shilei Long Jianrong Zeng Yan Li Liangman Bao Lingling Cao Ke Liu Liang Xu Jun Lin Wei Liu Guanghua Wang Jian Yao Chenyan M Yidong Zhao 《环境科学学报(英文版)》2014,26(5):1040-1051
Sulfate, nitrate and ammonium(SNA) are the dominant species in secondary inorganic aerosol, and are considered an important factor in regional haze formation. Size-fractionated aerosol particles for a whole year were collected to study the size distribution of SNA as well as their chemical species in Shanghai. SNA mainly accumulated in fine particles and the highest average ratio of SNA to particulate matter(PM) was observed to be 47% in the fine size fraction(0.49–0.95 μm). Higher sulfur oxidation ratio and nitrogen oxidation ratio values were observed in PM of fine size less than 0.95 μm. Ion balance calculations indicated that more secondary sulfate and nitrate would be generated in PM of fine size(0.49–0.95 μm). Sulfur K-edge X-ray absorption near-edge structure(XANES) spectra of typical samples were analyzed. Results revealed that sulfur mainly existed as sulfate with a proportion(atomic basis) more than 73% in all size of PM and even higher at 90% in fine particles. Sulfate mainly existed as(NH4)2SO4 and gypsum in PM of Shanghai. Compared to non-haze days, a dramatic increase of(NH4)2SO4 content was found in fine particles on haze days only, which suggested the promoting impact of(NH4)2SO4 on haze formation. According to the result of air mass backward trajectory analysis, more(NH4)2SO4 would be generated during the periods of air mass stagnation. Based on XANES, analysis of sulfate species in size-fractionated aerosol particles can be an effective way to evaluate the impact of sulfate aerosols on regional haze formation. 相似文献
38.
Nannan Wei Zhiyou Xu Junwen Liu Guanghua Wang Wei Liu Deqing Zhuog Detao Xiao Jian Yao 《环境科学学报(英文版)》2019,31(8):155-168
To understand the physical and chemical characteristics, particle size distribution and sources of size-separated aerosols in Lhasa, which is located on the Tibetan Plateau (TP), six sizes of aerosol samples were collected in Lhasa in 2014. Ca2+, NH4+, NO3?, SO42?and Cl? were the dominant ions. The ratio of cation equivalents (CE) to anion equivalents (AE) for each particle size segment indicated that the atmospheric aerosols in Lhasa were alkaline. SO42? and NO3? could be neutralized by Ca2+, but could not be neutralized by NH4+, according to the [NH4+]/[NO3??+?SO42?] and [Ca2+]/[NO3??+?SO42?] ratios. Mobile sources were dominant in PM0.95–1.5, PM1.5–3 and PM3–7.2, while stationary sources were dominant in the other three size fractions according to the [NO3?]/[SO42?] ratios. The particle size distribution of all water-soluble ions during monsoon and non-monsoon periods was characterized by a bimodal distribution due to the different sources and formation mechanisms, and it was revealed that different ions had different sources in different seasons and different particle size segments by combining particle size distribution with correlation analysis. Source analysis of aerosols in Lhasa was performed using the Principal component analysis (PCA) for the first time, which revealed that combustion sources, motor vehicle exhaust, photochemical reaction sources and various types of dust were the main sources of Lhasa aerosols. Furthermore, Lhasa''s air quality was also affected by long-distance transmission, expressed as pollutants from South Asiaand West Asia, which were transmitted to Lhasa according to backward trajectory analysis. 相似文献
39.
太湖北部湾多氯联苯分布特征及生态风险评价 总被引:3,自引:0,他引:3
采用GC-ECD联用检测技术分析了太湖北部贡湖大贡山(1号点)、小贡山(2号点)与梅梁湖马山(3号点)、拖山(4号点)不同季节10种PCB同系物(PCB28、52、101、112、118、138、153、155、180、198)的含量.其中含量最高的为三氯联苯PCB28与四氯联苯PCB52,占总量的50%~69%,其次分别为五氯联苯与六氯联苯,而PCB180与PCB198基本未检出.不同监测点表现出了季节变化,受"引江济太"调长江水人太湖的影响,贡湖中1号点与2号点监测点夏季PCB总量高于其它季节,而梅梁湖受周围生产及竺山湖大桥入污影响,3号点监测点不同季节PCBs总量变化不显著,4号点监测点春季高于冬季,夏季受高温影响,PCBs总量出现最小值.采用生态风险值与毒性当量法对沉积物中PCBs进行了风险评价.太湖北部湾底泥中PCBs总量较低,未对生态构成严重威胁,但由于这类物质的生态累积效应,其潜在危害仍不容忽视. 相似文献
40.
Feng Weiwei Wu Xueshan Mao Guanghua Zhao Ting Wang Wei Chen Yao Zhang Min Yang Liuqing Wu Xiangyang 《Environmental science and pollution research international》2020,27(9):9247-9260
Environmental Science and Pollution Research - Dioctyl phthalate (DOP) (200, 500, and 1000 mg kg?1 bw, i.g.), Pb (Ac)2 (50 mg L?1, p.o.), and NaAsO2 (10 mg L?1, p.o.) were... 相似文献