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导师简介
 
王宝俊 教授
发布日期: 2018-02-01   阅读次数: []次  来源:煤科学量子化学课题组  请选择阅读字体:

 

个人简介:

王宝俊,教授,博士生导师。

1986年毕业于山西大学化学系,获学士学位;1992年毕业于山西大学分子科学研究所物理化学专业,获硕士学位;2006年毕业于太原理工大学煤科学与技术教育部和山西省重点实验室化学工程与技术专业,获博士学位。

目前在太原理工大学煤科学与技术教育部和山西省重点实验室从事煤结构与反应性的量子化学研究工作。主持并参加国家973项目和国家自然科学基金项目等10余项,获省部级科技进步理论成果二等以上3项,发表学术论文100余篇。参编英文专著1部。

 

研究方向:

1.煤的微观结构与反应性

2.煤化工一碳反应的多相催化基础理论及催化剂设计

3.热解和气化煤气中污染物的转化和脱除的理论研究

4.分子筛催化性能的理论计算

 

承担项目:

1. 国家自然科学基金重点项目(2018.01.01-2022.12.31),乙醇C-C键在Cu基双金属催化甲烷-合成气反应体系中的生成机理(21736007),经费:300

2. 中国科学院山西煤炭化学研究所合作项目(横向)(2015.07-2018.7),分子筛催化甲醇制芳烃反应的微观机理研究(154120180-J),经费:60

3. 大连理工大学精细化工国家重点实验室开放基金(2013.12-2015.12),氧化亚铜表面炔烃反应的计算化学研究(KF1205),经费:5

4. 中国科学院山西煤炭化学研究所合作项目(2014.05.20-2017.05.20),碳一化学催化剂结构调变与性能调控的量化计算研究(144010282-J),经费:90

5. 国家自然科学基金(2013.01-2016.12),Ni基催化剂作用下CH4/CO2重整反应体系中的积碳问题(21276171),经费:82

6. 国家科技重大专项任务(2011-2015),煤层气与煤炭协调开发关键技术(二期)(2011ZX05040),经费:40.57

7. 国家自然科学基金·重点项目子课题(2006.01-2009.12),中国煤矿瓦斯灾害地质控制机理研究-构造煤微观结构与表面性质研究(50534070),经费:10

8. 教育部博士点基金(2010.1-2012.12),煤气脱硫机理的量子化学研究(20091402110013),经费:6

9. 国家自然科学基金(2010.1-2012.12),热解和气化煤气中含硫化合物的转化和脱除(20976115),经费:34

10. 国家自然科学基金(2008.1-2010.12),煤热解反应中的分子内氢原子转移过程(20776093),经费:30

11. 国家自然科学基金(2006.01-2008.12),煤热解过程中化学键断裂的热力学和动力学(20576087),经费:26

12. 山西省自然科学基金(2006.01-2008.12),煤热解基本问题的理论研究(2006011022),经费:3

13. 国家自然科学基金(2005.01-2005.12),用第一原理量子化学计算方法研究煤的热解反应机理(20476069),经费:8

14. 山西省自然科学基金(2003.01-2005.12),煤分子网络结构模型的定量关系研究(20031021),经费:3.5


研究成果:

SCI收录学术论文100余篇,SCI他引近600余次:


  1. Yongwu Lu, Riguang Zhang, Baobao Cao, Binghui Ge, Franklin Feng Tao, Junjun Shan, Luan Nguyen, Zhenghong Bao, Tianpin Wu, Jonathan W. Pote, Baojun Wang, Fei Yu. Elucidating the copper−hägg iron carbide synergistic interactions for selective CO hydrogenation to higher alcohols. ACS Catalysis, 2017, 7: 5500-5512

  2. Lixia Ling, Lili Fan, Xue Feng, Baojun Wang, Riguang Zhang. Effects of the size and Cu modulation of Pdn (n≤38) clusters on Hg0 adsorption. Chemical Engineering Journal, 2017, 308: 289-298

  3. Lixia Ling, Zhongbei Zhao, Senpeng Zhao, Qiang Wang, Baojun Wang*. Riguang Zhang, Debao Li. Effects of metals doping on the removal of Hg and H2S over ceria, Applied Surface Science, 2017, 403: 500-508

  4. Lixia Ling, Zhongbei Zhao, Xue Feng, Qiang Wang, Baojun Wang*. Riguang Zhang, Debao Li. Insight into the reduction of NO by H2 on the stepped Pd(211) surface, Journal of Physical Chemistry C, 2017, 121(30): 16399-16414

  5. Riguang Zhang, Xiaobin Hao, Tian Duan, Baojun Wang*.Adsorption and activation of CO and H2, the corresponding equilibrium phase diagrams under different temperature and partial pressures over Cu(100) surface: Insights into the effects of coverage and solvent effect, Fuel Processing Technology, 2017, 156: 253–264

  6. Riguang Zhang, Mao Peng, Tian Duan, Baojun Wang*. Insight into size dependence of C2 oxygenate synthesis from syngas on Cu cluster: the effect of cluster size on the selectivity, Applied Surface Science, 2017, 407: 282–296

  7. Riguang Zhang, Mao Peng, Baojun Wang*..Catalytic selectivity of Rh/TiO2 catalyst in syngas conversion to ethanol: probing into the mechanism and functions of TiO2 support and promoter, Catalysis Science & Technology, 2017, 7: 1073–1085

  8. Cuimei Zhi, Riguang Zhang, Baojun Wang*.Comparative studies about CO methanation over Ni(211) and Zr-modified Ni(211) surfaces: Qualitative insight into the effect of surface structure and composition, Molecular Catalysis, 2017, 438: 1–14

  9. Jin Zhang, Miaoqing Liu, Riguang Zhang*, Baojun Wang, Zaixin Huang. Insight into the properties of stoichiometric, reduced and sulfurized CuO surfaces: Structure sensitivity for H2S adsorption and dissociation, Molecular Catalysis, 2017, 438: 130–142

  10. Bo Zhao, Riguang Zhang, Zaixing Huang, Baojun Wang. Effect of the size of Cu clusters on selectivity and activity of acetylene selective hydrogenation, Applied Catalysis A, General, 2017,546: 111–121

  11. Hongxia Liu, Riguang Zhang, Lixia Ling, Qiang Wang, Baojun Wang, Debao Li. Insight into the preferred formation mechanism of long-chain hydrocarbons in Fischer–Tropsch synthesis on Hcp Co(10−11) surfaces from DFT and microkinetic modeling, Catal. Sci. Technol., 2017, 7: 3758–3776

  12. Hongyan Liu, Qiaoyun Qin, Riguang Zhang, Lixia Ling, Baojun Wang. Insights into the mechanism of the capture of CO2 by K2CO3 sorbent: a DFT study, Phys. Chem. Chem. Phys., 2017, 19: 24357-24368

  13. Hongyan Liu, Kai Li, Riguang Zhang, Lixia Ling, Baojun Wang. Insight into carbon deposition associated with NiCo/MgO catalyzed CH4/CO2 reforming by using density functional theory, Applied Surface Science, 2017, 423: 1080-1089

  14. Hongyan Liu, Kai Li, Riguang Zhang, Lixia Ling, Baojun Wang. Insight into the influence of addition of a second metal Fe and supports with different morphology on H2 dissociation over Ni/MgO catalysts, Applied Surface Science, 2017, 426: 827- 832

  15. Lixia Ling, Zhongbei Zhao, Baojun Wang*, Maohong Fan, Riguang Zhang. Effects of CO and CO2 on the desulfurization of H2S using a ZnO sorbent: a density functional theory study, Physical Chemistry and Chemical Physics, 2016, 18: 11150–11156

  16. Kai Li, Hongyan Liu, Riguang Zhang, Lixia Ling, Baojun Wang*. Interaction between bimetal cluster Ni2Co2 and MgO and its effect on H adsorption and H2 dissociation: A DFT study. Applied Surface Science, 2016, 390: 7–16

  17. Jin Zhang, Riguang Zhang*, Baojun Wang, Lixia Ling. Insight into the adsorption and dissociation of water over different CuO(111) surfaces: the effect of surface structures, Applied Surface Science, 2016, 364: 758–768

  18. Zhiping Chen, Lixia Ling, Baojun Wang*, Huiling Fan*, Ju Shangguan, Jie Mi. Adsorptive desulfurization with metal-organic frameworks: A density functional theory investigation. Applied Surface Science, 2016, 387: 483–490

  19. Tian Duan, Riguang Zhang*, Lixia Ling, Baojun Wang*. Insights into the effect of Pt atomic ensemble on HCOOH oxidation over Pt-decorated Au bimetallic catalyst to maximize Pt utilization, Journal of Physical Chemistry C, 2016, 120(4): 2234–2246

  20. Riguang Zhang, Tian Duan, Baojun Wang*, Lixia Ling. Unraveling the role of support surface hydroxyls and its effect on the selectivity of C2 species over Rh/γ-Al2O3 catalyst in syngas conversion: a theoretical study, Applied Surface Science, 2016, 379: 384–394

  21. Lili Fan, Lixia Ling, Baojun Wang*, Riguang Zhang. The adsorption of mercury species and catalytic oxidation of Hg0 on the metal-loaded activated carbon, Applied Catalysis A: General, 2016, 520: 13–23

  22. Congbiao Chen, Qiang Wang, Riguang Zhang, Bo Hou*, Debao Li, Litao Jia, Baojun Wang. High coverage CO adsorption and dissociation on the Co(0001) and Co(100) surfaces from DFT and thermodynamics. Applied Catalysis A: General, 2016, 523: 209–220

  23. Jianbing Wu, Guozhang Ma, Lixia Ling, Baojun Wang*. Grafting of hyperbranched polymer onto the nanosilica surface and their effect on the properties of UV-curable coatings, Polymer Bulletin, 2016, 73(3): 859–873

  24. 王宝俊*,章丽娜,凌丽霞,章日光. 煤分子结构对煤层气吸附与扩散行为的影响, 化工学报, 2016, 67(6): 2548–2557

  25. Lixia Ling, Maohong Fan*, Baojun Wang*, Riguang Zhang. Application of computational chemistry in understanding the mechanisms of mercury removal technologies: a review, Energy Environmental Science, 2015, 8: 3109–3133

  26. Senpeng Zhao, Lixia Ling, Baojun Wang*, Riguang Zhang, Debao Li, Qiang Wang, Jiancheng Wang. Theoretic Insight into the Desulfurization Mechanism: Removal of H2S by Ceria (110), Journal of Physical Chemistry C, 2015, 119: 7678–7688

  27. Riguang Zhang, Fu Liu, Xiaojun Zhao, Baojun Wang*, Lixia Ling. First-Principles Study about the Effect of Coverage on H2 Adsorption and Dissociation over a Rh(100) Surface, Journal of Physical Chemistry C, 2015, 119: 10355–10364

  28. Riguang Zhang, Tian Duan, Lixia Ling, Baojun Wang*. CH4 dehydrogenation on Cu(111), Cu@Cu(111), Rh@Cu(111) and RhCu(111) surfaces: A comparison studies of catalytic activity, Applied Surface Science, 2015, 341: 100–108

  29. Riguang Zhang, Xiaoqiang Guo, Baojun Wang*, Lixia Ling. Insight into the effect of CuNi(111) and FeNi(111) surface structure and second metal composition on surface carbon elimination by O or OH: a comparison study with Ni(111) surface, Journal of Physical Chemistry C, 2015, 119: 14135–14144

  30. Xiaoqiang Guo, Hongyan Liu, Baojun Wang*, Qiang Wang, Riguang Zhang*. Insight into C + O(OH) reaction for carbon elimination on different types of CoNi(111) surfaces: a DFT study, RSC Advances, 2015, 5: 19970–19982.

  31. Huayan Zheng, Riguang Zhang*, Zhong Li, Baojun Wang. Insight into the mechanism and possibility of ethanol formation from syngas on Cu(100) surface, Journal of Molecular Catalysis A: Chemical 2015, 404: 115–130.

  32. Riguang Zhang , Zhixue Liu, Lixia Ling, Baojun Wang*,.The effect of anatase TiO2 surface structure on the behavior of ethanol adsorption and its initial dissociation step: A DFT study, Applied Surface Science, 2015, 353: 150–157

  33. Cuimei Zhi, Qiang Wang, Baojun Wang*, Debao Li, Riguang Zhang. Insight into the mechanism of methane synthesis from syngas on a Ni(111) surface: a theoretical studyRSC Advances, 2015, 5: 66742–66756

  34. Lixia Ling, Senpeng Zhao, Peide Han, Baojun Wang*, Riguang Zhang, Maohong Fan. Toward predicting the mercury removal by chlorine on the ZnO surface, Chemical Engineering Journal, 2014, 244: 364–371

  35. Hongyan Liu, Botao Teng, Maohong Fan*, Baojun Wang*, Yulong Zhang, H.Gordon Harris. CH4 dissociation on the perfect and defective MgO(001) supported Ni4, Fuel, 2014, 123: 285–292

  36. Jianbing Wu, Lixia Ling, Junbao Xie, Guozhang Ma, Baojun Wang*. Surface modification of nanosilica with 3-mercaptopropyl trimethoxysilane: Experimental and theoretical study on the surface interaction, Chemical Physics Letters, 2014, 591: 227–232

  37. Riguang Zhang, Guiru Wang, Baojun Wang*. Insights into the mechanism of ethanol formation from syngas on Cu and an expanded prediction of improved Cu-based catalysts. Journal of Catalysis, 2013, 305: 238–255

  38. Riguang Zhang, Hongyan Liu, Baojun Wang*, Lixia Ling. Insights into the Effect of Surface Hydroxyls on CO2 Hydrogenation over Pd/γ-Al2O3 Catalyst: A Computational Study. Applied Catalysis B: Environmental, 2012, 126: 108–120


参编著作:

Baojun Wang, Riguang Zhang, Lixia Ling. Rate Constant Calculation for Thermal Reactions: Methods and Applications. Chapter 8. Quantum Chemistry Study on the Pyrolysis Mechanisms of Coal-Related Model Compounds, John Wiley & Sons Press, 2012.2


 

 
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