谢宏彬

基本信息Personal Information

教授

博士生导师

硕士生导师

性别:男

毕业院校:吉林大学

学位:博士

在职信息:在职

所在单位:环境学院

学科:环境科学 环境工程

办公地点:环境楼216

联系方式:0411-84707844

电子邮箱:

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研究领域

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一、研究方向:

1.      大气颗粒物的形成机制及大气污染物转化机制与动力学

2.      胺类CO2捕捉材料的结构、反应性及优化设计的计算研究

3.      污染生态化学与计算毒理学

二、简历:

2017.12-至今          大连理工大学环境学院                      教授

2012.02-2017.11     大连理工大学环境学院                      副教授

2016.08-2017.08     芬兰赫尔辛基大学物理系                  访问学者

2010.08-2012-02     美国加州大学欧文分校化学系          博士后研究

2008.08-2010.07     美国匹兹堡大学石油和化学工程系  博士后研究

2003.09-2008.07     吉林大学理论化学研究所                   物理化学专业,博士

三、科研项目:

1.  国家自然科学基金“氯自由基引发有机胺类污染物在气相及大气水表面的转化”项目负责人, 2017.01-2020.1268

2.  国际(地区)合作与交流项目“化学品环境行为与毒理效应的虚拟筛选与测试技术”,项目骨干,2017.01-2021.12300

3.  大连市高层次人才创新支持计划“ZnO/HZSM5催化剂物性反应性的构效关系研究”,项目负责人, 2016.01-2017.1210

4.  大连理工大学重大项目培育科研专题“化学品风险预测与环境管理支撑技术”,项目负责人,2015.01-2016.1230

5.    国家自然科学基金(面上,21477015)“羟基自由基引发多溴联苯醚替代品的大气转化机制及动力学”,项目负责人,2015.01-2016.1250

6 国家自然科学基金(青年,21207016)“胺类化合物捕捉CO2反应机制和影响因素的理论研究”,项目负责人,2013.01-2015.1224

7 国家863课题“化学品种类快速甄别及毒性模型测试技术”(2012AA06A301)。项目骨干,2012.01-2014.12737

8 大连理工大学引进人才启动基金“影响胺类化合物吸收CO2因素及机制的理论研究”,项目负责人,2012.01-2013.1212

四、社会兼职与荣誉

美国化学会 J.Phys.Chem A 审稿人

Phys.Chem.Chem.Phys. 审稿人

Environmental Science & Technology(EST) 审稿人

美国化学会会员

美国化工协会会员

中国化学会会员

荣获2014年大连市青年科技之星

荣获2014年大连理工大学教学质量优良奖

荣获2015年大连理工大学教学质量优良奖

2017年大连理工大学优秀硕士学位论文指导教师

2017年辽宁省优秀硕士学位论文指导教师

五、代表性论文

1. Hong-Bin Xie*, Jonas Elm, Roope Halonen, Nanna Myllys, Theo Kurtén, Markku Kulmala, and Hanna Vehkamäki. Atmospheric Fate of Monoethanolamine: Enhancing New Particle Formation of Sulfuric Acid as an Important Removal Process, Environ. Sci. Technol., 51, 8422-8431, 2017.

2. Hong-Bin Xie, Fangfang Ma, Yuanfang Wang, Ning He, Qi Yu, and Jingwen Chen*, Quantum Chemical Study on ·Cl-Initiated Atmospheric Degradation of Monoethanolamine, Environ. Sci. Technol., 49, 13246−13255, 2015.

3. Hong-Bin Xie, Chao Li, Ning He, Cheng Wang, Shaowen Zhang, and Jingwen Chen*, Atmospheric Chemical Reactions of Monoethanolamine Initiated by OH Radical: Mechanistic and Kinetic Study, Environ. Sci. Technol., 48, 1700-1706, 2014.

4. Zihao Fu, Ning He, Putian Zhou, Jiaxu Liu, Hong-Bin Xie*, Qi Yu, Fangfang Ma, Zhiqiang Fu, Zhongyu Wang, and Jingwen Chen. Adsorption of Nitrobenzene on the Surface of Ice: A Grand Canonical Monte Carlo Simulation Study, J. Phys. Chem. C, 121, 15746-15755, 2017.

5. Hong-Bin Xie, Fangfang Ma, Qi Yu, Ning He, and Jingwen Chen*. Computational Study of the Reactions of Chlorine Radicals with Atmospheric Organic Compounds Featuring NHx−π-Bond (x = 1, 2) Structures, J. Phys. Chem. A, 121, 16571665, 2017.

6. Qi Yu, Hong-Bin Xie*, Jingwen Chen, Atmospheric chemical reactions of alternatives of polybrominated diphenyl ethers initiated by ·OH: A case study on triphenyl phosphate, Sci. Total Environ., 571, 1105-1114, 2016.

7. Hong-Bin Xie, Pan Wang, Ning He, Xianhai Yang, Jingwen Chen*,Toward rational design of amines for CO2 capture: Substituent effect on kinetic process for the reaction of monoethanolamine with CO2, J. Environ. Sci., 37, 75-82, 2015.

8.Hong-Bin Xie, Xiaoxuan Wei, Pan Wang, Ning He, and Jingwen Chen*, CO2 Absorption in an Alcoholic Solution of Heavily Hindered Alkanolamine: Reaction Mechanism of 2(tert-Butylamino)ethanol with CO2 Revisited, J. Phys. Chem. A, 119, 6346−6353, 2015.

9. Hong-Bin Xie, Ning He, Zhiquan Song, Jingwen Chen* and Xuehua Li, Theoretical Investigation on the Different Reaction Mechanisms of Aqueous 2-Amino-2-methyl-1-propanol and Monoethanolamine with CO2, Ind. Eng. Chem. Res., 53, 3363-3372, 2014.

10. Hong-Bin Xie* and R. Benny Gerber*, Interaction and Reaction of Hydroxyl Ion with β-D-Galactose and its Hydrated Complex: An Ab Initio Molecular Dynamics Study, Phys. Chem. Chem. Phys., 14, 12086-12089, 2012.

11. Hong-Bin Xie*, Lin Jin, Svemir Rudić, John P. Simons, and R. Benny Gerber*, Computational Studies of Protonated β-D-Galactose and Its Hydrated Complex: Structures, Interactions, Proton Transfer Dynamics, and Spectroscopy, J. Phys. Chem. B, 116, 4851-4859, 2012.

12. Hong-bin Xie, Madeleine Pincu, Brina Brauer, R. Benny Gerber, Ilana Bar. Raman and Infrared Spectra of Cellobiose in the Solid State: What Can Be Learned from Ssingle-Molecule Calculations? Chem. Phys. Lett., 514, 284-290, 2011.

13. Hong-Bin Xie, J. Karl Johnson, Robert J. Perry, Sarah Genovese and Benjamin R. Wood, A Computational Study of the Heats of Reaction of Substituted Monoethanolamine with CO2, J. Phys. Chem. A, 115, 342-350, 2011.

14. Hong-Bin Xie, Yanzi Zhou, Yingkai Zhang and J. Karl Johnson, Reaction Mechanism of Monoethanolamine with CO2  in Aqueous Solution from Molecular Modeling, J. Phys. Chem. A, 114, 11844-11852, 2010.

15. Hong-bin Xie, Chang-bin Shao and Yi-hong Ding, Radical-molecule reaction C3H+H2O on amorphous water ice: A promising route for interstellar propynal. Astrophys. J., 670, 449-456, 2007.

16. Hong-bin Xie, and Yi-hong Ding, Does P-Ylidic radical feature the Ylidic or radical character towards formaldehyde? J. Theo. Comput. Chem., 6, 531-540, 2007.

17. Hong-bin Xie, and Yi-hong Ding, CAl4X (X=Si,Ge): Molecules with Simultaneous Planar Tetracoordinate Carbon, Aluminum and Silicon/Germanium, J. Chem. Phys., 126, 184302-184302-7, 2007.

18. Hong-bin Xie, Guo-sheng Shi, Yi-hong Ding and Chia-chung Sun, Chemical behavior of poly-cyanoacetylene radicals on gaseous and ice water: A computational perspective, Astrophys. J., 662, 758-770, 2007.

19. Hong-bin Xie, Jian Wang, Shao-wen Zhang, Yi-hong Ding and Chia-chung Sun, An ignored but most favorable channel for NCO+C2H2 reaction, J. Chem. Phys., 125, 124317-124317-10. 2006.

20. Hong-bin Xie, Yi-hong Ding, and Chia-chung Sun, Ylidic radical reactivity towards ethylene and acetylene, THEOCHEM, 776, 105-112, 2006.

21. Hong-bin Xie, Yi-hong Ding, Chia-chung Sun, Reaction of Ketenyl Radical with Acetylene: A promising Route for Cyclopropenyl radical, J. Phys. Chem. A, 110, 7262-7267, 2006.

22. Hong-bin Xie, Yi-hong Ding, and Chia-chung Sun, Reaction Mechanism of Oxygen Atoms With Cyanoacetylene In the Gas Phase and on the Water Ice, Astrophys. J., 643, 573-581, 2006.

23. Hong-bin Xie, Yi-hong Ding, Chia-chung Sun, Radical Reaction C3H+NO: A Mechanistic Study, J. Comput. Chem., 27, 641-660, 2006.

24. Hong-bin Xie, Yi-hong Ding, and Chia-chung Sun, Ylidic Radical-Molecule Reactions, J. Comput. Chem., 27, 545-551, 2006.

25. Hong-bin Xie, Yi-Hong Ding, and Chia-chung Sun, Radical-Molecule Reactions HCO/HOC+C2H4: A Mechanistic Study, J. Theo. Comput. Chem., 4, 1029-1037, 2005.

26. Hong-bin Xie, Yi-Hong Ding, and Chia-chung Sun, Theoretical Study on the Reaction Mechanism of Vinyl Radical with Formaldehyde, J. Phys. Chem. A, 109, 8419-8423, 2005.

27. Haiqin Zhang, Hong-Bin Xie, Jingwen Chen,* and Shushen Zhang, Prediction of Hydrolysis Pathways and Kinetics for Antibiotics under Environmental pH Conditions: A Quantum Chemical Study on Cephradine, Environ. Sci. Technol., 49, 1552−1558, 2015.

28. Chao Li, Hong-Bin Xie, Jingwen Chen,* Xianhai Yang, Yifei Zhang, and Xianliang Qiao, Predicting Gaseous Reaction Rates of Short Chain Chlorinated Paraffins with ×OH: Overcoming the Difficulty in Experimental Determination, Environ. Sci. Technol., 48, 13808−13816, 2014.

29. Xianhai Yang, Hong-Bin Xie, Jingwen Chen,* and Xuehua Li, Anionic Phenolic Compounds Bind Stronger with Transthyretin than Their Neutral Forms: Nonnegligible Mechanisms in Virtual Screening of Endocrine Disrupting Chemicals, Chem. Res. Toxicol., 26, 1340-1347, 2013.

30. Qian Sun, Hong-Bin Xie, Jingwen Chen*, Xuehua Li, Zhuang Wang, Lianxi Sheng*, Molecular dynamics simulations on the interactions of low molecular weight natural organic acids with C60, Chemosphere, 92, 429-34, 2013.

31. Svemir Rudic´, Hong-bin Xie, R. Benny Gerber, and John P. Simons, Protonated sugars: Vibrational spectroscopy and conformational structure of protonated O-methyl a-D-galactopyranoside, Mol. Phys., 110, 1609-1615, 2012.

32. Robert J. Perry, Teresa A. Grocela-Rocha, Michael J. O’Brien, Sarah Genovese, Benjamin R. Wood, Larry N. Lewis, Hubert Lam, Grigorii Soloveichik, Malgorzata Rubinsztajn, Sergei Kniajanski, Sam Draper, Robert M. Enick, J. Karl Johnson, Hong-bin Xie, and Deepak Tapriyal, Aminosilicone Solvents for CO2 Capture, ChemSusChem, 3, 919-930, 2010.

33. Ning He, Hong-bin Xie and Yi-hong Ding, A, Theoretical Study on the Adsorption of an All-metal Aromatic Molecule Na2Al4 on MCM-22 Zeolite, Micopor. Mesopor. Mat., 130, 67-75, 2010.

34. Matthew B. Miller, De-Li Chen, Hong-Bin Xie, J. Karl Johnson, and Robert M. Enick, Solubility of CO2  in CO2-philic Oligomers: COSMOtherm Predictions and Experimental Results, Fluid Phase Equilibria, 287, 26-32, 2009.

35. Li-juan Fu, Hong-bin Xie and Yi-hong Ding, Structures and Energetics of AlnHn2− (5 ≤ n ≤ 12) and AlnHn+2 (4 ≤ n ≤ 12): Are Alanes the Borane Analogues? Inorg. Chem., 48, 5370-5375, 2009.

36. Jing-lin Pang, Hong-bin Xie, Shao-Wen Zhang and Yi-hong Ding, Gaseous Reaction Mechanism between Two H2CN Radicals, Phys. Chem. Chem. Phys., 11, 4326-4334, 2009.

37. Ning He, Hong-bin Xie and Yi-hong Ding, A Theoretical Rationalization Why Cu-IM5 Is More Stable and Sctive Than Cu-ZSM5 in NO Reduction, Micopor. Mesopor. Mat., 121, 95-102, 2009.

38. Jing-Lin Pang, Hong-Bin Xie, Yi-Hong Ding, and Ao-Qing Tang, Theoretical Study on Reaction Mechanism of Isocyanate Radical NCO with Ethene, Int. J. Quan. Chem., 109, 801-810, 2009.

39. Ning He, Hong-bin Xie and Yi-hong Ding, One-electron Metal-metal Bond Stabilized in Dinuclear Metallocenes: Theoretical Prediction of DBe-LiD’ (D,D’= C5H5 or C5Me5), J. Phys. Chem. A, 112, 12463-12468, 2008.

40. Jing-Lin Pang, Hong-Bin Xie, Yi-Hong Ding, and Ao-Qing Tang, Theoretical study on Reaction Mechanism of Fulminic acid HCNO with CN radical, J. Phys. Chem. A, 112, 5251-5257, 2008.

41. Ning He, Hong-bin Xie and Yi-hong Ding, Structures and Stability of lithium monosilicide clusters SiLin (n=4-16): What is the maximum number, Magic Number and Core Number for Lithium Coordination to Silicon, J. Comput. Chem., 29, 1850-1858, 2008.

42. Ning He, Hong-bin Xie and Yi-hong Ding, Computational Study on IM-5 Zeolite: What Is its Preferential Location of Al and Proton Siting? Micopor. Mesopor. Mat., 111, 551-559, 2008.

43. Qiang Wang, Yi-hong Ding, Hong-bin Xie and Chia-chung Sun, Theoretical Study on Structures and Stabilities of [H,Ge,C,N], J. Comput. Chem., 27, 505-514, 2006.

44. Ning He, Hong-bin Xie and Yi-hong Ding, Can Donor-acceptor Bonded Dinuclear Metallocenes Exist? A Computational Study on the Stability of CpM’-MCp (M’=B, Al, Ga, In, Tl; M=Li, Na, K) and its Isomers, Organometallics, 26, 6839-6843, 2007.