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曹海杰
2017-12-15 10:33   审核人:

 

曹海杰,女,博士,讲师。2016.06年于山东大学环境研究院,环境科学专业,获工学博士学位; 2012.06年于山东大学环境研究院,环境科学与工程专业,获工学硕士学位;2008.06年于山东师范大学化学院,应用化学专业,获理学学士学位。20168月至今,青岛大学能源与环境材料研究院,从事科研工作。

研究领域为计算材料学,利用多尺度理论计算和分子模拟的方法,研究无机材料和有机材料的结构、性质、热力学及动力学行为。主要研究方向为(1) 有机小分子结构及反应机理的理论研究;(2) 纳米材料结构与性能的多尺度计算机模拟。参加过国家自然科学基金重点项目、面上项目等多个课题的研究内容。目前已在Environmental Science and TechnologyChemosphere等学术刊物上发布SCI论文二十余篇。

联系方式:caohj@qdu.edu.cn

 

已发表论文:

1.Cao Haijie, He Maoxia, Sun Yanhui, Han Dandan. Mechanical and kinetic studies of the formation of polyhalogenated dibenzo-p-dioxins from hydroxylated polybrominated diphenyl ethers and chlorinated derivatives. J. Phys. Chem. A,2011, 115(46), 13489-13497.

2.Cao Haijie, He Maoxia, Han Dandan, Sun Yanhui, Xie Ju. Theoretical study on the mechanism and kinetics of the reaction of 2,2′,4,4′-tetrabrominated diphenyl ether (BDE47) with OH radicals. Atmos. Environ., 2011, 45, 1525–1531.

3.Cao Haijie, He Maoxia, Han Dandan, Sun Yanhui, Zhao Sufang, Ma Hongjuan, Yao Side. Mechanistic and kinetic study on the reaction of 2,4-dibrominated diphenyl ether (BDE7) with OH radicals. Comput. Theor. Chem., 2012, 983(1), 31–37.

4. He Maoxia, Sun Yanhui, Cao Haijie, Han Dandan, Hu Jingtian. Theoretical study of the ozonolysis of allyl acetate: mechanism and kinetics. Struct. Chem., 2012, 23, 201-208.

5. He Maoxia, Cao Haijie, Sun Yanhui, Han Dandan, Hu Jingtian.Mechanistic and kinetic study of the gas-phase reaction of vinyl acetate with ozone. Atmos. Environ., 2012, 49(3), 197–205.

6.Han Dandan, Cao Haijie, Sun Yanhui, He Maoxia. Mechanistic and kinetic study on the ozonolysis of ethyl vinyl ether and propyl vinyl ether. Struct. Chem., 2012, 23, 499-514.

7. Han Dandan,Cao Haijie, Sun Yanhui, Sun Ruilian, He Maoxia. Mechanistic and kinetic study on the ozonolysis of n-butyl vinyl ether, i-butyl vinyl ether and t-butyl vinyl ether. Chemosphere 2012, 88, 1235-1240.

8. Sun Yanhui,Cao Haijie, Han Dandan, Li Jing, He Maoxia, Wang Chen. Computational study of the reaction mechanism and kinetics of ethyl acrylate ozonolysis in atmosphere. Chem. Phys. 2012, 402, 6-13.

9.Cao Haijie, He Maoxia, Han Dandan, Li Jing, Li Mingyue, Wang Wenxing, Yao Side. OH-Initiated oxidation mechanisms and kinetics of 2, 4, 4′-tribrominated diphenyl ether. Environ. Sci. Technol. 2013, 47(15), 8238-8247.

10. Sun Yanhui,Cao Haijie, Han Dandan, Li Jing, He Maoxia. Atmospheric ozonolysis study of methyl acrylate and methyl 3-methyl acrylate. Struct. Chem. 2013, 24, 1451-1460.

11. Li Jing, Sun Yanhui, Cao Haijie, Han Dandan, He Maoxia. Mechanisms and kinetics of the ozonolysis reaction of cis-3-hexenyl acetate and trans-2-hexenyl acetate in atmosphere: a theoretical study. Struct. Chem. 2014, 25(1), 71-83.

12. Sun Yanhui, Cao Haijie, Han Dandan, Li Jing, He Maoxia. Reactions of n-butyl acrylate and ethyl methacrylate with ozone in the gas phase. Comput. Theor. Chem. 2014, 1039, 33-39.

13. Li Jing, Han Dandan, Cao Haijie, Li Mingyue, He Maoxia. Theoretical study on the mechanism and kinetics for the ozonolysis of vinyl propionate. Struct. Chem.2014, 25, 285-291.

14. Han Dandan, Cao Haijie, Li Jing, Li Mingyue, He Maoxia, Hu Jingtian. Computational study on the mechanisms and rate constants of the OH-initiated oxidation of ethyl vinyl ether in atmosphere. Chemosphere 2014, 111, 61-69.

15. He Lin, Sun Xiaomin, Sun Xuefei, Gao Jun, Zhang Chenxi, Cao Haijie, Wang Shuguang. OH-initiated AOPs degradation mechanism of ibuprofen in aqueous environments. Can. J. Chem. 2014, 92(9), 831-837.

16. Li Jing, Cao Haijie, Han Dandan, Li Mingyue, Li Xin, He Maoxia. Computational study on the mechanism and kinetics of Cl-initiated oxidation of vinyl acetate. Atmos. Environ. 2014, 94, 63-73.

17. Li Mingyue, Li Jing, Cao Haijie, Han Dandan, He Maoxia. Mechanistic and kinetic investigations on the ozonolysis of isopropenyl acetate and propenyl acetate in atmosphere. Comput. Theor. Chem. 2014, 1049, 42-50.

18. Han Dandan, Li Jing, Cao Haijie, He Maoxia, Hu Jingtian, Yao Side. Theoretical investigation on the mechanisms and kinetics of OH-initiated photooxidation of dimethyl phthalate (DMP) in atmosphere. Chemosphere2014, 95, 50-57.

19. Han Dandan, Cao Haijie, Li Jing, Li Mingyue, Li Xin, He Maoxia, Hu Jingtian. Theoretical studies on the mechanisms and rate constants for the hydroxylation of n-butyl, iso-butyl and tert-butyl vinyl ethers in atmosphere. Struct. Chem. 2015, 26, 713-729.

20. Li Mingyue, Cao Haijie, Han Dandan, Li Xin, He Maoxia. Kinetics and mechanism of the reactions of OH radicals with p-nitroaniline in gas-phase and aqueous solution. Comput. Theor. Chem. 2015, 1055, 68-77.

21. Han Dandan, Cao Haijie, Li Jing, Li Mingyue, He Maoxia, Hu Jingtian. Computational study on the mechanisms and rate constants of the Cl-initiated oxidation of methyl vinyl ether in the atmosphere. J. Phys. Chem. A2015, 119, 719-727.

22.Cao Haijie, Han Dandan, Li Mingyue, Li Xin, Zhang Shiqing, Ding Yunqiao, He Maoxia, Wang Wenxing. Theoretical study on the nitrate radical oxidation of methyl vinyl ether. Comput. Theor. Chem. 2015, 1072:72-78.

23.Cao Haijie, Han Dandan, Li Mingyue, Li Xin, He Maoxia, Wang Wenxing. Theoretical investigation on mechanistic and kinetic transformation of 2,2′,4,4′,5-pentabromodiphenyl ether. J. Phys. Chem. A 2015, 119(46): 6404-6411.

24. Li Xin, Cao Haijie, Han Dandan, Zhang Shiqing, He Maoxia. The mechanism and kinetic studies for Cl-initiated oxidation of allyl acetate in troposphere. Comput. Theor. Chem. 2016, 1087, 48-56.

25.Cao Haijie, Li Xin, Han Dandan, Zhang Shiqing, He Maoxia. OH-Initiated Tropospheric Photooxidation of Allyl Acetate (AAC): A Theoretical Study. Can. J. Chem. 2016, 94(7), 648-657.

26. He Maoxia, Li Xin, Zhang Shiqing, Sun Jianfei, Cao Haijie(通讯作者), Wang Wenxing. Mechanistic and kinetic investigation on OH-initiated oxidation of tetrabromobisphenol A. Chemosphere 2016, 153, 262-269.

27. Zhang Shiqing, Cao Haijie, Li Xin, Sun Jianfei, He Maoxia. Theoretical study on the mechanisms and kinetics of Cl-initiated oxidation of methyl acrylate. Comput. Theor. Chem. 2016, 1091, 99-106.

 

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