研究方向
1. 煤氣潔凈利用過程中的多相催化反應(yīng)機(jī)理以及高效脫除劑的改性設(shè)計
2. 碳一反應(yīng)過程中貴金屬催化劑的結(jié)構(gòu)調(diào)變與性能調(diào)控
承擔(dān)項目
1. 中科院煤化所開放基金,CO氧化偶聯(lián)制草酸二甲酯Pd基雙金屬催化劑的構(gòu)效關(guān)系,經(jīng)費:12萬
2. 山西省回國留學(xué)人員科研資助項目,Pd基催化劑同時脫除燃煤煙氣中NO和Hg的微觀機(jī)理,經(jīng)費:4萬
3. 國家自然科學(xué)基金,CO氧化偶聯(lián)制草酸二甲酯Pd催化劑的結(jié)構(gòu)調(diào)變與活性調(diào)控,經(jīng)費:74.86萬
4. 2014山西省高等學(xué)校青年學(xué)術(shù)帶頭人,活性炭改性脫除煤氣中單質(zhì)Hg的理論研究,經(jīng)費:10萬
5. 山西省高等學(xué)校2014年度131領(lǐng)軍人才第三層次,經(jīng)費:2萬
6. 第52批博士后基金,鐵基氧化物對煤氣中H2S和Hg同時脫除的微觀動力學(xué)研究,經(jīng)費:5萬
7. 國家自然科學(xué)青年基金,熱解和氣化煤氣中H2S和Hg同時脫除的理論研究(21103120),經(jīng)費:25萬
8. 太原理工大學(xué)引進(jìn)人才啟動經(jīng)費(2010.7-2013.7),經(jīng)費:10萬
研究成果
SCI收錄學(xué)術(shù)論文30余篇
- Lixia Ling, Qiang Wang, Riguang Zhang, Debao Li*, Baojun Wang*.Formation of C2oxygenates and ethanol from syngas on an Fe-decorated Cu-based catalyst: insight into the role of Fe as a promoter, Phys. Chem. Chem. Phys. 2017, 19: 30883-30894.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.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: 500-508Lixia Ling, Lili Fan, Xue Feng, Baojun Wang*, Riguang Zhang.Effects of the size and Cu modulation of Pdn(n≤38) clusters on Hgadsorption, Chemical Engineering Journal, 2017, 308: 289-298Lixia Ling, Zhongbei Zhao, Baojun Wang*, Maohong Fan, Riguang Zhang. Effects of CO and CO2on the desulfurization of H2S using a ZnO sorbent: a density functional theory study, Physical Chemistry and Chemical Physics, 2016, 18: 11150-11156Lili 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: 13-23Zhiping Chen, Lixia Ling, Baojun Wang*, Huiling Fan*, JuShangguan, Jie Mi.Adsorptive desulfurization with metal-organic frameworks: A density functional theory investigation. Applied Surface Science, 2016, 387: 483-490.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: 3109-3133Senpeng 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: 7678-7688Lixia 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: 364-371Lixia Ling, Jiajia Song, Senpeng Zhao, Riguang Zhang, Baojun Wang*. DFT study on the effects of defect and metaldoping on the decomposition of H2S on the a-Fe2O3(0001) surface, RSC Advances, 2014, 4(43): 22411-22418Jianbing Wu, Guozhang Ma, Ping Li, Lixia Ling, Baojun Wang*. Preparation of Multifunctional Thiol- and Acrylate-TerminatedPolyurethane: A Comparative Study on Their Properties in UV Curable Coatings, Journal of Applied Polymer Science, 2014, 131(18): 9063u20139069Jianbing Wu, Lixia Ling, Guozhang Ma, Baojun Wang*. A comparative study of grafting methods on the preparation and properties of modified nanosilica for UV curable coatings, Journal of Coatings Technology and Research, 2014, 11(5): 717u2013725Lina Zhang, Lixia Ling, Senpeng Zhao, Riguang Zhang, Baojun Wang*. Formation mechanism of methane during coal evolution: A density functional theory study, Journal of Energy Chemistry, 2014, 23: 669u2013678Lixia Ling, Peide Han, Baojun Wang*, Riguang Zhang. Theoretical prediction of simultaneous removal efficiency of ZnO for H2S and Hgincoal gas. Chemical Engineering Journal, 2013, 231: 388-396Lixia Ling,Peide Han, Baojun Wang*, Riguang Zhang. DFT study on the regeneration mechanism of ZnO surface during the desulfurization of H2S, Fuel Processing Technology, 2013, 109: 49-56Lixia Ling,Riguang Zhang,Peide Han, Baojun Wang*. DFT study on the sulfurization mechanism during the desulfurization of H2S on the ZnO desulfurizer,Fuel Processing Technology, 2013, 106: 222-230Lixia Ling,Jianbing Wu, Jiajia Song, Peide Han, Baojun Wang*. The adsorption and dissociation of H2S on the oxygen-deficient ZnO(101(—)0) surface: A density functional theory study, Computational and Theoretical Chemistry, 2012, 1000: 26-32Lixia Ling, Riguang Zhang, PeideHan, Baojun Wang*. A theoretical study on the hydrolysis mechanism of carbon disulfide, Journal of Molecular Modeling, 2012, 18(4): 1625-1632Lixia Ling, Riguang Zhang, Baojun Wang*, KechangXie. DFT study on the sulfur migration during benzenethiol pyrolysis in coal, Journal of Molecular Structure (THEOCHEM), 2010, 952(1-3): 31-35Lixia Ling,Riguang Zhang,Baojun Wang*,KechangXie. Pyrolysis mechanisms of quinoline and isoquinoline with density functional theory, Chinese Journal of Chemical Engineering, 2009, 17(5): 805-813Lixia Ling,Riguang Zhang,Baojun Wang*,KechangXie. Density functional theory study on the pyrolysis mechanism of thiophene in coal, Journal of Molecular Structure (THEOCHEM), 2009, 905: 8-12
授權(quán)發(fā)明專利共3項
1.凌麗霞,吳建兵.一種超支化聚合物改性納米二氧化硅雜化材料的制備方法。
專利號:ZL2013107168102.
授權(quán)公告日:2015年10月14日
2. 郝曉剛,凌麗霞,王忠德,孫守斌,張忠林,馬旭莉,劉世斌。一種立方納米顆粒聚苯胺/鐵氰化鎳雜化材料的制備方法。
專利號:ZL. 201210180918.
3.凌麗霞,章日光,吳建兵。一種紫外光固化膠粘劑及其制備方法。
專利號:ZL2011101755518.
授權(quán)公告日:2013年6月5日
參編著作
1.凌麗霞. 煤熱解及煤氣脫硫機(jī)理. 北京:煤炭工業(yè)出版社,2014年6月
2. 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