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第一部分 大气环境化学 1

一、大气细颗粒物化学、来源及生成 1

Airborne fine particulate pollution in Jinan， China： concentrations， chemical compositions and influence on visibility impairment&Lingxiao Yang， Xuehua Zhou， Zhe Wang， Yang Zhou， Shuhui Cheng， Pengju Xu， Xiaomei Gao， Wei Nie，Xinfeng Wang， Wenxing Wang 1

Asian dust storm observed at a rural mountain site in southern China： chemical evolution and heterogeneous hotochemistry&Wei Nie， Tao Wang， Likun Xue， Aijun Ding， Wenxing Wang， Xiaomei Gao， Zheng Xu， Yangchun Yu， Chao Yuan， Shengzhen Zhou， RuiGao， Xiaohan Liu， Yan Wang， Shaojia Fan， Steven C.N.Poon， Qingzhu Zhang.， Wenxing Wang 10

Characterization of aerosol acidity at a high mountain site in central eastern China&Yang Zhou， Likun Xue， Tao Wang， Xiaomei Gao， Zhe Wang， Xinfeng Wang， Jiamin Zhang， Qingzhu Zhang， Wenxing Wang 21

Enhanced formation of fine particulate nitrate at a rural site on the North China Plain in summer： the important roles of ammonia and ozone&Liang Wen， Jianmin Chen， Lingxiao Yang， Xinfeng Wang， Caihong Xu， Xiao Sui， Lan Yao， Yanhong Zhu，Junmei Zhang， Tong Zhu， Wenxing Wang 31

Formation of secondary organic carbon and cloud impact on carbonaceous aerosols at Mount Tai，north China&Zhe Wang， Tao Wang， Jia Guo， Rui Gao， Likun Xue， jiamin Zhang， Yang Zhou， Xuehua Zhou， Qingzhu Zhang，Wenxing Wang 40

HONO and its potential source particulate nitrite at an urban site in North China during the cold season&Liwei Wang， Liang Wen， Caihong Xu， Jianmin Chen， Xinfeng Wang， Lingxiao Yang， Wenxing Wang， Xue Yang，Xiao Sui， Lan Yao， Qingzhu Zhang 52

Impacts of serecracker burning on aerosol chemical characteristics and human health risk levels during the Chinese New Year Celebration in Jinan， China&Lingxiao Yang， Xiaomei Gao， Xinfeng Wang， Wei Nie， Jing Wang， Rui Gao， Pengju Xu， Youping Shou，Qingzhu Zhang， Wenxing Wang 61

Photochemical evolution of organic aerosols observed in urban plumes from Hong Kong and thePearl River Delta of China&Shengzhen Zhou， Tao Wang， Zhe Wang， Weijun Li， Zheng Xu， Xinfeng Wang， Chao Yuan， C.N.Poon， Peter K. K.Louie， Connie W.Y.Luk， Wenxing Wang 69

Secondary organic aerosol formation from xylenes and mixtures of toluene and xylenes in an atmospheric urban hydrocarbon mixture&Yang Zhou， Haofei Zhang， Harshal M.Parikh， Eric H.Chen， Weruka Rattanavaraha， Elias P.Rosen， Wenxing Wang， Richard M.Kamens 80

Semi-continuous measurement of water-soluble ions in PM2.5 in Jinan， China： temporal variations and source apportionments&Xiaomei Gao， Lingxiao Yang， Shuhui Cheng， Rui Gao， Yang Zhou， Likun Xue， Youping Shou， Jing Wang，Xinfeng Wang， Wei Nie， Pengju Xu， Wenxing Wang 89

Severe haze episodes and seriously polluted fog water in Ji’nan， China&Xinfeng Wang， Jianmin Chen， jianfeng Sun， Weijun Li， Lingxiao Yang， Liang Wen， Wenxing Wang， Xinming Wang， Jeffrey L.Collett Jr.Yang Shi， Qingzhu Zhang， Jingtian Hu， Lan Yao， Yanhong Zhu， Xiao Sui， Xiaomin Sun， Abdelwahid Mellouki 98

Sources apportionment of PM2.5 in a background site in the North China Plain&Lan Yao， Lingxiao Yang， Qi Yuan， Chao Yan， Can Dong， Chuanping Meng， Xiao Sui， Fei Yang， Yaling Lu，Wenxing Wang 103

Study on ambient air quality in Beijing for the summer 2008 Olympic Games&Wenxing Wang， Fahe Chai， Kai Zhang， Shulan Wang， Yizhen Chen， Xuezhong Wang， Yaqin Yang 112

Temporal variations， acidity， and transport patterns of PM2.5 ionic components at a background site in the Yellow River Delta， China&Qi Yuan， Lingxiao Yang， Can Dong， Chao Yan， Chuanping Meng， Xiao Sui， Wenxing Wang 118

The secondary formation of inorganic aerosols in the droplet mode through heterogeneous aqueous reactions under haze conditions&Xinfeng Wang， Wenxing Wang， Lingxiao Yang， Xiaomei Gao， Wei Nie， Yangchun Yu， PengjuXu， Yang Zhou，Zhe Wang 129

Understanding of regional air pollution over China using CMAQ， part Ⅰ performance evaluation and seasonal variation&Xiaohuan Liu， Yang Zhang， Shuhui Cheng， Jia Xing， Qiang Zhang， David G.Streets， Carey Jang， Wenxing Wang， Jiming Hao 138

Understanding of regional air pollution over China using CMAQ， part Ⅱ.Process analysis and sensitivity of ozone and particulate matter to precursor emissions&Xiaohuan Liu， Yang Zhang， Jia Xing， Qiang Zhang， Kai Wang， David G.Streets， Carey Jang， Wenxing Wang，JimingHao 150

二、大气颗粒物的粒径分布与光学性质 159

Aerosol size distributions in urban Jinan： Seasonal characteristics and variations between weekdays and weekends in a heavily polluted atmosphere&Pengju Xu， Wenxing Wang， Lingxiao Yang， Qingzhu Zhang， Rui Gao， Xinfeng Wang， Wei Nie， Xiaomei Gao 159

Airborne particulate polycyclic aromatic hydrocarbon （PAH） pollution in a background site inthe North China Plain： concentration， size distribution， toxicity and sources&Yanhong Zhu， Lingxiao Yang， Qi Yuan， Chao Yan， Can Dong， Chuanping Meng， Xiao Sui， Lan Yao， Fei Yang，Yaling Lu， Wenxing Wang 173

Aircraft measurements of the vertical distribution of sulfur dioxide and aerosol scattering coefficient in China&Likun Xue， Ai●un Ding， Jian Gao， Tao Wang， Wenxing Wang， Xuezhong Wang， Hengchi Lei， Dezhen Jin，Yanbin Qi 185

Measurement of aerosol number size distributions in the Yangtze River delta in China： formation and growth of particles under polluted conditions&Jian Gao， Tao Wang， Xuehua Zhou， Waishing Wu， Wenxing Wang 190

Size-fractionated water-soluble ions， situ pH and water content in aerosol on hazy days and the influences on visibility impairment in Jinan， China&Shuhui Cheng， Lingxiao Yang， Xuehua Zhou， Likun Xue， Xiaomei Gao， Yang Zhou， Wenxing Wang 198

三、大气酸沉降与光化学污染 208

中国大气降水化学研究进展&王文兴，许鹏举 208

Air quality during the 2008 Beijing Olympics： secondary pollutants and regional impact&Tao Wang， Wei Nie， Jian Gao， Likun Xue， Xiaomei Gao， Xinfeng Wang， Jun Qiu， StevenC.N.Poon， Simone Meinardi， Donald R.Blake， Shulan Wang， Aijun Ding， Fahe Chai， Qingzhu Zhang， Wenxing Wang 224

Development of a chlorine chemistry module for the Master Chemical Mechanism&Likun Xue， Sandra M.Saunders， Tao Wang， Rui Gao， Xinfeng Wang， Qingzhu Zhang， Wenxing Wang 237

Oxidative capacity and radical chemistry in the polluted atmosphere of Hong Kong and Pearl River Delta region： analysis of a severe photochemical smog episode&Likun Xue， Rongrong Gu， Tao Wang， Xinfeng Wang， Sandra Saunders， Donald Blake， Peter K.K.Louie，Connie W.Y.Luk， Isobel Simpson， Zheng Xu， Zhe Wang， Yuan Gao， Shuncheng Lee， Abdelwahid Mellouki，Wenxing Wang 249

Significant increase of summertime ozone at Mount Tai in central eastern China&Lei Sun， Likun Xue， Tao Wang， Jian Gao， Aijun Ding， Owen R.Cooper， Meiyun Lin， Pengju Xu， Zhe Wang，Xinfeng Wang， Liang Wen， Yanhong Zhu， Tianshu Chen， Lingxiao Yang， Yan Wang， Jianmin Chen， Wenxing Wang 262

Source of surface ozone and reactive nitrogen speciation at Mount Waliguan in western China： new insights from the 2006 summer study&Likun Xue， Tao Wang， Jiamin Zhang， Xiaochun Zhang， Deliger， Steven C.N.Poon， Aijun Ding， Xuehua Zhou，Wai Shing Wu， Jie Tang， Qingzhu Zhang， Wenxing Wang 276

第二部分 环境量子化学 288

一、二噁英的形成机理 288

A quantum mechanical study on the formation of PCDD／Fs from 2-chlorophenol as precursor&Qingzhu Zhang， Shanqing Li， Xiaohui Qu， Xiangyan Shi， Wenxing Wang 288

Dioxin formations from the radical／radical cross-condensation of phenoxy radicals with 2-chlorophenoxy radicals and 2，4，6-trichlorophenoxy radicals&Fei Xu， Wanni Yu， Rui Gao， Qin Zhou， Qingzhu Zhang， Wenxing Wang 296

Formation of bromophenoxy radicals from complete series reactions of bromophenols with H and OH radicals&Rui Gao， Fei Xu， Shanqing Li， Jingtian Hu， Qingzhu Zhang， Wenxing Wang 303

Kinetic properties for the complete series reactions of chlorophenols with OH radicals—relevance for dioxin formation&Fei Xu， Hui Wang， Qingzhu Zhang， Ruixue Zhang， Xiaohui Qu， Wenxing Wang 312

Mechanism and direct kinetic study of the polychlorinated dibenzo-p-dioxin and dibenzofuran formations from the radical／radical cross-condensation of 2，4-dichlorophenoxy with 2-chlorophenoxy and 2，4，6-trichlorophenoxy&Fei Xu， Wanni Yu， Qin Zhou， Rui Gao， Xiaoyan Sun， Qingzhu Zhang， Wenxing Wang 318

Mechanistic and kinetic studies on the homogeneous gas-phase formation of PCDD／Fs from 2，4，5-trichlorophenol&Xiaohui Qu， Hui Wang， Qingzhu Zhang， Xiangyan Shi， Fei Xu， Wenxing Wang 326

Mechanism and direct kinetics study on the homogeneous gas-phase formation of PBDD／Fs from 2-BP，2，4-DBP， and 2，4，6-TBP as precursors&Wanni Yu， Jingtian Hu， Fei Xu， Xiaoyan Sun， Rui Gao， Qingzhu Zhang， Wenxing Wang 334

Mechanism and thermal rate constants for the complete series reactions of chlorophenols with H&Qingzhu Zhang， Xiaohui Qu， Hui Wang， Fei Xu， Xiangyan Shi， Wenxing Wang 343

PBCDD／F formation from radical／radical cross-condensation of 2-chlorophenoxy with 2-bromophenoxy， 2，4-Dichlorophenoxy with 2，4-Dibromophenoxy， and 2，4，6-Trichlorophenoxy with 2，4，6-Tribromophenoxy&Xiangli Shi， Wanni Yu， Fei Xu， Qingzhu Zhang， Jingtian Hu， Wenxing Wang 351

二、环境有机污染物大气降解机理 359

Mechanism and kinetic studies for OH radical-initiated atmospheric oxidation of methyl propionate&Xiaovan Sun， Yueming Hu， Fei Xu， Qingzhu Zhang， Wenxing Wang 359

Mechanistic and kinetic studies on the OH-initiated atmospheric oxidation of fluoranthene&Juan Dang， Xiangli Shi， Qingzhu Zhang， Jingtian Hu， Jianmin Chen， Wenxing Wang 367

Mechanical and kinetic study on gas-phase formation of dinitronaphthalene from 1-and 2-nitronaphthalene&Zixiao Huang， Qingzhu Zhang， Wenxing Wang 375

Mechanism and kinetic study on the gas-phase reactions of OH radical with carbamate insecticide isoprocarb&Chenxi Zhang， Wenbo Yang， Jing Bai， Yuyang Zhao， Chen Gong， Xiaomin Sun， Qingzhu Zhang， Wenxing Wang 385

Mechanism of OH-initiated atmospheric photooxidation of the organophosphorus insecticide（C2H5O）3PS&Qin Zhou， Xiangyan Shi， FeiXu， Qingzhu Zhang， Maoxia He， Wenxing Wang 392

OH-initiated oxidation mechanisms and kinetics of 2，4，4′-tribrominated diphenyl ether&Haijie Cao， Maoxia He， Dandan Han， Jing Li， Mingyue Li， Wenxing Wang， Side Yao 400

OH radical-initiated oxidation degradation and atmospheric lifetime of N-ethylperfluorobutyramide in the presence of O2／NOx&Yanhui Sun， Qingzhu Zhang， Hui Wang， Wenxing Wang 410

Role of water molecule in the gas-phase formation process of nitrated polycyclic aromatic hydrocarbons in the atmosphere： a computational study&Qingzhu Zhang， Rui Gao， Fei Xu， Qin Zhou， Guibin Jiang， Tao Wang， Jianmin Chen， Jingtian Hu， Wei Jiang， Wenxing Wang 419

Theoretical investigation on mechanistic and kinetic transformation of 2，2′，4，4′，5- pentabromodiphenyl ether&Haijie Cao， Dandan Han， Xin Li， Mingyue Li， Maoxia He， Wenxing Wang 426

三、表面与酶催化反应机理 434

Adsorption and transformation mechanism of NO2 on NaCl （100） surface： A density functional theory study&Chenxi Zhang， Xue Zhang， Lingyan Kang， Ning Wang， Mandi Wang， Xiaomin Sun， Wenxing Wang 434

Catalytic mechanism of C-F bond cleavage： insights from QM／MM analysis of fluoroacetatedehalogenase&Yanwei Li， Ruiming Zhang， Likai Du， Qingzhu Zhang， Wenxing Wang 440

Computational evidence for the detoxifying mechanism of epsilon class glutathione transferase toward the insecticide DDT&Yanwei Li， Xiangli Shi， Qingzhu Zhang， Jingtian Hu， Jianmin Chen， Wenxing Wang 448

Dehydrochlorination mechanism of gamma-hexachlorocyclohexane degraded by dehydrochlorinase LinA from Sphingomonas paucimobilis UT26&Xiaowen Tang， Ruiming Zhang， Qingzhu Zhang， Wenxing Wang 457

Heterogeneous reaction mechanism of gaseous HNO3 with solid NaCl： a density functional theory study&Nan Zhao， Qingzhu Zhang， Wenxing Wang 467

第三部分 环境生态 477

Adsorption and desorption of divalent mercury （Hg2＋） on humic acids and fulvic acids extracted from typical soils in China&Jie Zhang， Jiulan Dai， Renqing Wang， Fasheng Li， Wenxing Wang 477

Distribution and sources of petroleum-hydrocarbon in soil profiles of the Hunpu wastewater-irrigated area， China’s northeast&Juan Zhang， Jiulan Dai， Xiaoming Du， Fasheng Li， Wenxing Wang， Renqing Wang 485

Heavy Metal Bioaccumulation and Health Hazard Assessment for Three Fish Species from Nansi Lake，China&Pengfei Li， Jian Zhang， Huijun Xie， Cui Liu， Shuang Liang， Yangang Ren， Wenxing Wang 494