师资队伍
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谢宏彬
职  称: 副教授
电  话: 0411-84707844
Email : hbxie@dlut.edu.cn
研究室: 环境生态与工程研究室

教育及工作经历

2003.09-2008-07 吉林大学理论化学研究所         物理化学专业,博士

2008.08-2010.07 美国匹兹堡大学石油和化学工程系 博士后研究

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

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

研究领域(研究课题)

1.      胺类CO2捕捉材料的结构、反应性及优化设计的理论研究

2.      环境污染物消除机制的理论研究

研究方向

1.      胺类CO2捕捉材料的结构、反应性及优化设计的理论研究

2.      环境污染物自由基反应机制的研究

目前主持与参与项目:

1. 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,2015.01-2016.12, 50

2. 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

3. 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

出版著作和论文:         

 

[1] 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. 2014, 48, 17001706.

[2] Hong-Bin Xie, Ning He, Zhiquan Song, Jingwen Chen, and Xuehua Li, Theoretical Investigation on the Different Reaction Mechanisms of Aqueous 2Amino-2-methyl-1 -propanol and Monoethanolamine with CO2, Ind. Eng. Chem. Res. 2014, 53, 3633372.  

[3] 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, 2012, 116, 4851–4859

[4] 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, 2012, 14, 12086–12089

[5] 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, 2011, 514, 284-290.

[6] 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, 2011, 115, 342-350.

[7] 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, 2010,114, 11844-11852.

[8] 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, 2007, 670, 449-456.

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

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

[11] 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, 2007, 662, 758-770.

[12] 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, 2006, 125, 124317-124317-10.

[13] Hong-bin Xie, Yi-hong Ding, and Chia-chung Sun, Ylidic radical reactivity towards ethylene and acetylene, THEOCHEM, 2006, 776, 105-112. [10] 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, 2006, 110, 7262-7267.

[14] 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, 2006, 643, 573-581.

[15] Hong-bin Xie, Yi-hong Ding, Chia-chung Sun, Radical Reaction C3H+NO: A Mechanistic Study, J. Comput. Chem, 2006, 27, 641-660. [13] Hong-bin Xie, Yi-hong Ding, and Chia-chung Sun, Ylidic Radical-Molecule Reactions, J. Comput. Chem, 2006, 27, 545-551.

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

[17] 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, 2005, 109, 8419-8423.

[18] 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. (in press)

[19] 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, 2010, 3, 919-930.

[20] 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, 2010, 130, 67-75.

[21] 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, 2009, 287, 26-32.

[22] 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, 2009, 48, 5370-5375.

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

[24] 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, 2009, 121, 95-102.

[25] 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, 2009, 109, 801-810.

[26] 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, 2008, 112, 12463-12468.

[27] 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, 2008, 112, 5251-5257.

[28] 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, 2008, 29, 1850-1858.  

[29] 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, 2008, 111, 551-559.

[30] 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, 2006, 27, 505-514.

[31] 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, 2007, 26, 6839-6843.

 

在读学生人数:4

毕业学生人数:0

 

 

 

最后修改时间:2015-3-10 9:00:44

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