张庆竹，女，教授，博士生导师，环境研究院常务副院长，教育部新世纪优秀人才支持计划入选者，山东省自然科学杰出青年基金获得者，中国环境科学学会大气环境分会副秘书长。主要从事量子化学计算与分子模拟在环境科学领域中的应用研究。

主要学术兼职：

中国环境科学学会大气环境分会副秘书长

IGAC (The International Global Atmospheric Chemistry Project)中国工作组成员

中国毒理学会环境与生态毒理学专业委员会常务委员

中国气象学会大气成分委员会委员

中国自然资源学会资源循环利用专业委员会委员

第11届国际ASAAQ会议秘书长



负责主持或主要参加的科研项目：

1. 主持山东省自然科学杰出青年基金“量子化学与分子模拟方法研究有机氯农药在环境中的降解机理”，项目编号：JQ200804，50万元，资助时间：2009-2011年，负责人，正在进行。

2. 主持973项目“典型天气系统酸沉降过程的飞机-地基立体观测研究”(课题编号：2005CB422203)子课题“高山站酸沉降及相关大气污染物观测试验研究”，100万元，资助时间：2005-2010年，负责人，已完成。

3. 主要参加国家基金委重点项目“持久性有机污染物的典型环境过程及构效关系研究”，项目编号：**，经费180万元，资助时间：2008-2011年。具体负责的经费部分为99万元，正在进行。

4. 主持国家基金委面上项目“大气环境中典型有机农药的降解机理”，项目编号：**，36万元，资助时间：2010-2012年，负责人，正在进行。

5. 主持国家基金委面上项目“致癌性多环芳烃在大气中化学转化的微观机制”，项目编号：**，25万元，资助时间：2006-2008年，负责人，已完成。

6. 主持国家基金委面上项目“大气环境中萜烯形成二次有机气溶胶的理论研究”，项目编号：**，28万元，资助时间：2008-2010年，负责人，已完成。

7. 主持教育部新世纪优秀人才支持计划，项目编号：NCET-04-036， 50万元，资助时间：2005-2007年，负责人，已完成。

8. 主持高等学校博士学科点专项科研基金“大气中萜烯形成二次有机气溶胶的微观机理”，项目编号：**6，6万元，资助时间：2009-2011年，负责人，正在进行。

9. 主持山东大学自主创新基金自然科学类专项“持久性有机污染物的降解机理与构效关系”，项目编号：2009JC016，40万元，资助时间：2010-2012，负责人，正在进行。



获奖及获人才基金支持情况

2010年， 环保部环境保护科学技术二等奖(排名第一)

2010年， 山东省高等学校优秀科研成果自然科学类一等奖(排名第一)

2008年， 获首届山东省自然科学杰出青年基金资助

2005年， 入选教育部“新世纪优秀人才支持计划”

2005年， 获山东大学十大科技创新人物

2005年， 获全国百篇优秀博士学位论文提名奖

2004年， 获山东大学优秀博士学位论文奖

2001年， 获山东省优秀硕士学位论文





代表性论著目录

1. Wanni Yu, Jingtian Hu, Fei Xu, Xiaoyan Sun, Rui Gao, Qingzhu Zhang(通讯作者), Wenxing Wang

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,

Environ. Sci. & Technol., 2011, 45 (5), 1917–1925.

2. Fei Xu, Wanni Yu, Qin Zhou, Rui Gao, Xiaoyan Sun, Qingzhu Zhang(通讯作者), Wenxing Wang

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,

Environ. Sci. & Technol., 2011, 45 (2), 643–650.

3. Zhe Wang, Tao Wang, Rui Gao, Likun Xue, Jia Guo, Yang Zhou, Wei Nie, Xinfeng Wang, Pengju Xu, Jian Gao, Xuehua Zhou, Wenxing Wang, Qingzhu Zhang(通讯作者)

Source and variation of carbonaceous aerosols at Mount Tai, North China: Results from a semi-continuous instrument, Atmos. Environ., 2011, 45 (9), 1655-1667.

4. Fei Xu, Wanni Yu, Rui Gao, Qin Zhou, Qingzhu Zhang(通讯作者), Wenxing Wang,

Dioxin Formations from the Radical/Radical Cross-Condensation of Phenoxy Radicals with 2-Chlorophenoxy Radicals and 2,4,6-Trichlorophenoxy Radicals, Environ. Sci. & Technol., 2010, 44 (17), 6745-6751.

5. Qingzhu Zhang, Wanni Yu, Ruixue Zhang, Qin Zhou, Rui Gao, Wenxing Wang (通讯作者)

Quantum Chemical and Kinetic Study on Dioxin Formation from the 2,4,6-TCP and 2,4-DCP Precursors, Environ. Sci. & Technol., 2010, 44 (9), 3395–3403. IF=4.458

6. Fei Xu, Hui Wang, Qingzhu Zhang(通讯作者), Ruixue Zhang, Xiaohui Qu, Wenxing Wang Kinetic Properties for the Complete Series Reactions of Chlorophenols with OH Radicals—Relevance for Dioxin Formation,

Environ. Sci. & Technol., 2010, 44 (4), 1399–1404. IF=4.458

7. Yan Zhao, Ruixue Zhang, Hui Wang, Maoxia He, Xiaomin Sun, Qingzhu Zhang, Wenxing Wang, Miaoyan Ru(通讯作者)

Mechanism of atmospheric ozonolysis of sabinene: A DFT study, J. Mol. Struc.: THEOCHEM, 2010, 942 (1-3), 32-37. IF=1.167

8. Yan Zhao, Ruixue Zhang, Xiaomin Sun, Maoxia He, Hui Wang(通讯作者), Qingzhu Zhang, Miaoyan Ru(通讯作者), Theoretical Study on Mechanism for O3-initiated Atmospheric Oxidation Reaction of β-caryophyllene, J. Mol. Struc.: THEOCHEM, 2010, 947 (1-3), 68-75, IF=1.167

9. Qin Zhou, Xiaoyan Sun, Rui Gao, Qingzhu Zhang(通讯作者), Wenxing Wang,

Mechanism study on OH-initiated atmospheric degradation of the organophosphorus pesticide chlorpyrifos, J. Mol. Struc.: THEOCHEM, 2010, 952 (1-3), 8-15.

10. Wei Nie, Tao Wang(通讯作者), Xiaomei Gao, Ravi Kant Pathak, Xinfeng Wang, Rui Gao, Qingzhu Zhang, Lingxiao Yang, Wenxing Wang Comparison among filter-based, impactor-based and continuous techniques for measuring atmospheric fine sulfate and nitrate, Atmos. Environ. 2010, 44 (35), 4396-4403.

11. Xiaohui Qu, Qingzhu Zhang(通讯作者), Xiangyan Shi, Fei Xu, Wenxing Wang

Mechanistic and Kinetic Studies on the Homogeneous Gas-phase Formation of PCDD/Fs from 2,4,5-Trichlorophenol, Environ. Sci. & Technol., 2009, 43 (11), 4068– 4075. IF=4.458

12. Qingzhu Zhang, Xiaohui Qu, Fei Xu, Xiangyan Shi, Wenxing Wang (通讯作者)

Mechanism and Thermal Rate Constants for the Complete Series Reactions of Chlorophenols with H, Environ. Sci. & Technol., 2009, 43 (11), 4105–4112. IF=4.458

13. Qin Zhou, Xiangyan Shi, Fei Xu, Qingzhu Zhang(通讯作者), Maoxia He, Wenxing Wang

Mechanism of OH-initiated Atmospheric Photooxidation of the Organophosphorus Insecticide (C2H5O)3PS, Atmos. Environ. 2009, 43 (27), 4163-4170. IF=2.890

14. Maoxia He, Hui Wang, Xiaoyan Sun, Qingzhu Zhang(通讯作者), Wenxing Wang, Theoretical study of oh-initiated atmospheric oxidation for propyl vinyl ether, J. Theor. Comput. Chem., 2009, 8 (2), 261-277. IF=0.633

15. 赵 燕, 王 慧, 孙孝敏, 张庆竹(通讯作者), 王文兴. OH 抽提1-戊醇分子中α-H 和β-H 引发的大气反应机理的理论研究. 化学学报, 2009, 67, 122-128. IF=0.745

16. Yan Zhao, Hui Wang, Xiaomin Sun, Qingzhu Zhang(通讯作者), Wenxing Wang, Mechanism for OH-Initiated Oxidation of n-Octane in the Presence of O2 and NO: A DFT Study, Chinese J. Chem., 2009, 27, 281-288. IF=0.945

17. Qingzhu Zhang, Shanqing Li, Xiaohui Qu, Xiangyan Shi, Wenxing Wang (通讯作者)

A Quantum Mechanical Study on the Formation of PCDD/Fs from 2-Chlorophenol as Precursor, Environ. Sci. & Technol., 2008, 42 (19), 7301-7308. IF=4.458

18. Xiaomin Sun,Tingli Sun, Qingzhu Zhang(通讯作者), Wenxing Wang

A Theoretical study on the Degradation Mechanism of TeCDD in aqueous solution

by Fe(II)/H2O2/UV system, Sci. Total Environ., 2008, 402 (1), 123-129. IF=2.579

19. Xiaohui Qu, Qingzhu Zhang(通讯作者), Wenxing Wang

Theoretical study on NO3-initiated oxidation of acenaphthene in the atmosphere

Can. J. Chem., 2008, 86 (2), 129-137. IF=1.205

20. Xiaoyan Sun, Maoxia He, Qingzhu Zhang(通讯作者), Wenxing Wang

Quantum Chemical Study on the Atmospheric Photooxidation of Methyl Vinyl

Ether (MVE), J. Mol. Struc.: THEOCHEM, 2008, 868 (1-3), 87-93. IF= 1.167

21. Qingzhu Zhang, Xiaohui Qu, Wenxing Wang (通讯作者)

Mechanism for OH-initiated Atmospheric Photooxidation of Dichlorvos: A Quantum Mechanical Study, Environ. Sci. & Technol., 2007, 41 (17), 6109-6116. IF=4.458

22. Qingzhu Zhang, Tingli Sun, Shangqing Li, Wenxing Wang (通讯作者)

Ab initio and variational transition state approach to atmospheric photooxidation: mechanism and kinetics for the reaction of HN3 with OH radicals

Chem. Phys. Lett., 2006, 428 (4-6), 262-267. IF=2.169

23. Qingzhu Zhang, Shanqing Li, Wenxing Wang (通讯作者)

Mechanism and kinetics properties for the reaction of chloroethane with atomic O: A theoretical study, Chem. Phys., 2006, 322 (3), 279-288. IF=1.961

24. Qingzhu Zhang, Haining Wang, Tingli Sun, Wenxing Wang (通讯作者)

A theoretical investigation for the reaction of CH3CH2SH with atomic H: Mechanism and kinetics properties, Chem. Phys., 2006, 324 (2-3), 298-306. IF=1.961

25. Xiaohui Qu, Qingzhu Zhang(通讯作者), Wenxing Wang

Degradation mechanism of benzene by NO3 radicals in the atmosphere: A DFT study

Chem. Phys. Lett., 2006, 426 (1-3), 13-19. IF=2.169

26. Xiaohui Qu, Qingzhu Zhang(通讯作者), Wenxing Wang

Theoretical study on mechanism for NO3-initiated atmospheric oxidation of naphthalene

Chem. Phys. Lett., 2006, 432 (1-3), 40-49. IF=2.169

27. Xiaohui Qu, Qingzhu Zhang(通讯作者), Wenxing Wang

Mechanism for OH-initiated photooxidation of naphthalene in the presence of O2 and NOx: A DFT study, Chem. Phys. Lett., 2006, 429 (1-3), 77-85. IF=2.169

28. Qingzhu Zhang, Shanqing Li, Tingli Sun, Xiaohui Qu, Wenxing Wang (通讯作者)

Rate parameters and branching ratios for the multiple-channel Reaction of dimethyl sulfide DMS with atomic H, Chem. Phys. Lett., 2005, 414(4-6), 316-321. IF=2.169

29. Tingli Sun, Qingzhu Zhang(通讯作者), Xiaohui Qu, Wenxing Wang

Mechanism and direct dynamics studies for the reaction of monoethylsilane EtSiH3 with atomic O (3P), Chem. Phys. Lett., 2005, 407 (4-6), 527-532. IF=2.169

30. Qingzhu Zhang, Ruiqin Zhang(通讯作者)

Ab initio and variational transition state approach to β-C3N4 formation: kinetics for the reaction of CH3NH2 with H, J. Phys. Chem. A, 2005, 109 (40), 9112-9117. IF=2.871

31. Qingzhu Zhang, Ruiqin Zhang, Yueshu Gu(通讯作者)

Kinetics and mechanism of O (3P) with CH3CHF2, a theoretical study

J. Phys. Chem. A, 2004, 108 (6), 1064-1068. IF=2.871

32. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

Theoretical study on the reaction path dynamics and rate constants for the hydrogen-abstraction reaction of atomic O with CH2FCl, Chem. Phys. Lett., 2004, 383 (3), 304-308. IF=2.169

33. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

A computational study on mechanism and kinetics for the abstraction reaction of

SiHCl3 with atomic O (3P), Chem. Phys. Lett., 2004, 383 (1), 16-20. IF=2.169

34. Ruiqin Zhang(通讯作者), Qingzhu Zhang, Mingwen Zhao,

A scheme for the economical use of numerical basis sets in calculations with SIESTA,

Theor. Chem. Acc. 2004, 112 (3), 158-162. IF=2.370.

35. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

Theoretical studies on the variational transitional state theory rate constants for the hydrogen abstraction reaction of O with CH3Cl and CH2Cl2

J. Chem. Phys., 2003, 119 (8), 4339-4345. IF=3.149

36. Qingzhu Zhang, Shaokun Wang, Yueshu Gu(通讯作者)

A theoretical investigation on the mechanism and kinetics for the reaction of atomic O with CH3CHCl2, J. Chem. Phys., 2003, 119 (21), 11172-11179. IF=3.149

37. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

Theoretical investigation on the mechanism and thermal rate constants for the reaction of atomic O with CHF2Cl, J. Phys. Chem. A, 2003, 107 (17), 3069-3075. IF=2.871

38. Shaokun Wang, Qingzhu Zhang, Yueshu Gu(通讯作者)

Theoretical study on the abstraction reaction of O with CHFCl2

Chem. Phys. Lett., 2003, 373 (1-2), 33-38. IF=2.169

39. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

Kinetic and mechanistic studies on the abstraction reactions of atomic O with (CH3)3SiH and (CH3)2SiH2, J. Chem. Phys., 2003, 118 (2), 633-642. IF=3.149

40. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

Mechanism and interpolated variational transition state rate constant for the reaction of atomic H with monoethylsilane EtSiH3

J. Phys. Chem. A, 2003, 107 (40), 8295-8301. IF=2.871

41. Qingzhu Zhang, Shaokun Wang, Yueshu Gu(通讯作者)

A theoretical investigation on the mechanism and kinetics for the reaction of SiH2Cl2 with atomic O (3P), Chem. Phys. Lett., 2003, 369 (1), 145-151. IF=2.169

42. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

Ab initio mechanism and thermal rate constants for the reaction of atomic H with Ge2H6

New J. Chem., 2003, 27 (2), 289-294. IF=2.942

43. Qingzhu Zhang, Shaokun Wang, Yueshu Gu(通讯作者)

Direct ab initio and kinetic calculation for the abstraction reaction of atomic O with CH3Br

Chem. Phys. Lett., 2002, 352 (5-6), 521-528. IF=2.169

44. Qingzhu Zhang, Dongju Zhang, Shaokun Wang, Yueshu Gu(通讯作者)

Ab initio and kinetic calculations for the reactions of H with (CH3)(4-n)GeHn (n=1,2,3,4)

J. Phys. Chem. A, 2002, 106 (1), 122-129. IF=2.871

45. Qingzhu Zhang, Yueshu Gu(通讯作者), Shaokun Wang

Theoretical investigation of the kinetics for the reactions of atomic hydrogen with GeH(4-n)Cln (n=0, 1, 2, 3), J. Phys. Chem. A, 2003, 107 (19), 3884-3890. IF=2.871

46. Qingzhu Zhang, Shaokun Wang, Jianhua Zhou, Yueshu Gu(通讯作者)

Ab initio and kinetic calculation for the abstraction reaction of atomic O (3P) with SiH4

J. Phys. Chem. A, 2002, 106 (1), 115-121. IF=2.871

47. Qingzhu Zhang, Shaokun Wang, Yueshu Gu(通讯作者)

Direct ab initio dynamics studies of the reactions of H With SiH(4-n)Cln (n=1~3)

J. Phys. Chem. A, 2002, 106 (15), 3796-3803. IF=2.871

48. Qingzhu Zhang, Shaokun Wang, Yueshu Gu(通讯作者)

Theoretical investigation of the kinetics for the reactions of H with GeH(4-n)Fn (n=0, 1, 2,3)

J. Phys. Chem. A, 2002, 106 (39), 9071-9077. IF=2.871

49. Qingzhu Zhang, Shaokun Wang, Jianhua Zhou, Yueshu Gu(通讯作者)

Ab initio and kinetic calculation for the abstraction reaction of atomic O (3P) with Si2H6

Chem. Phys. Lett., 2002, 354 (3-4), 291-397. IF=2.169

50. Qingzhu Zhang, Shaokun Wang, Chunsheng Wang, Yueshu Gu(通讯作者)

Ab initio and kinetic calculations for the reactions of H with SiH(4-n)Fn

Phys. Chem. Chem. Phys., 2001, 3 (19), 4280-4285. IF=4.064



导师联系方式

济南市山大南路27号，山东大学环境研究院。