王寶俊(太原理工大學教授)

王寶俊(太原理工大學教授)

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王寶俊，教授，博士生導師。

1986年畢業於山西大學化學系，獲學士學位；1992年畢業於山西大學分子科學研究所物理化學專業，獲碩士學位；2006年畢業於太原理工大學煤科學與技術教育部和山西省重點實驗室化學工程與技術專業，獲博士學位。

目前在太原理工大學煤科學與技術教育部和山西省重點實驗室從事煤結構與反應性的量子化學研究工作。主持並參加國家973項目和國家自然科學基金項目等10餘項，獲省部級科技進步理論成果二等以上3項，發表學術論文100餘篇。參編英文專著1部。

基本介紹

  • 中文名：王寶俊
  • 國籍：中國
  • 民族：漢
  • 出生日期：1964年
  • 職業：太原理工大學煤科學與技術教育部和山西省重點實驗室教授
  • 畢業院校：太原理工大學
  • 性別：男
研究方向,承擔項目,研究成果,參編著作,

研究方向

1. 煤的微觀結構與反應性
2. 煤化工一碳反應的多相催化基礎理論及催化劑設計
3. 熱解和氣化煤氣中污染物的轉化和脫除的理論研究
4. 分子篩催化性能的理論計算

承擔項目

1.國家自然科學基金重點項目，乙醇C-C鍵在Cu基雙金屬催化“甲烷-合成氣”反應體系中的生成機理，經費：300萬
2. 中國科學院山西煤炭化學研究所合作項目（橫向），分子篩催化甲醇制芳烴反應的微觀機理研究，經費：60萬
3. 大連理工大學精細化工國家重點實驗室開放基金，氧化亞銅表面炔烴反應的計算化學研究，經費：5萬
4. 中國科學院山西煤炭化學研究所合作項目，一碳化學催化劑結構調變與性能調控的量化計算研究，經費：90萬
5. 國家自然科學基金，Ni基催化劑作用下CH4/CO2重整反應體系中的積碳問題，經費：82萬
6. 國家科技重大專項任務，煤層氣與煤炭協調開發關鍵技術（二期），經費：40.57萬
7. 國家自然科學基金·重點項目子課題，中國煤礦瓦斯災害地質控制機理研究-構造煤微觀結構與表面性質研究，經費：10萬
8. 教育部博士點基金，煤氣脫硫機理的量子化學研究，經費：6萬
9. 國家自然科學基金，熱解和氣化煤氣中含硫化合物的轉化和脫除，經費：34萬
10. 國家自然科學基金，煤熱解反應中的分子內氫原子轉移過程，經費：30萬
11. 國家自然科學基金，煤熱解過程中化學鍵斷裂的熱力學和動力學，經費：26萬
12. 山西省自然科學基金，煤熱解基本問題的理論研究，經費：3萬
13. 國家自然科學基金，用第一原理量子化學計算方法研究煤的熱解反應機理，經費：8萬
14. 山西省自然科學基金，煤分子網路結構模型的定量關係研究，經費：3.5萬

研究成果

  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. Li*, Baojun Wang*.an Fe-decorated Cu-based catalyst: insight into the role of Fe as a promoter, Phys. Chem. Chem. Phys. 2017, 19: 30883-30894.
  6. 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
  7. 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
  8. 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.
  9. 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
  10. 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.
  11. 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
  12. 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
  13. 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
  14. 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.
  15. 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
  16. Yan Liu, Qiang Wang, Hongyan Liu, Kai Li, Litao Jia, Debao Li, Bo Hou,Baojun Wang. Insights into the metal-support interaction between NiCu cluster and MgO as well as its effect on H adsorption and H2 dissociation
  17. 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.
  18. 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.
  19. 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.
  20. 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.
  21. 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.
  22. 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.
  23. 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.
  24. 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.
  25. 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.
  26. 王寶俊∗，章麗娜，凌麗霞，章日光. 煤分子結構對煤層氣吸附與擴散行為的影響, 化工學報, 2016, 67(6): 2548–2557.
  27. 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
  28. 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.
  29. 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.
  30. 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.
  31. 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.
  32. 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.
  33. 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.
  34. 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.
  35. 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 study，RSC Advances, 2015, 5: 66742–66756.
  36. 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.
  37. 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.
  38. 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.
  39. 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.
  40. 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.

參編著作

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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