Dr. Quande Wang

Release time:2016-04-19

Dr. Quande Wang
Associate Professor

Low Carbon Energy Institute

quandewang@cumt.edu.cn

_____________________________________

ACADEMIC POSITIONS
Low Carbon Energy Institute, China University of Mining and Technology, Associate Professor (2016-present)
Low Carbon Energy Institute, China University of Mining and Technology, Assistant Professor (2012-2015)


EDUCATION
Sichuan University, Chengdu, China (Ph.D. in Physical Chemistry, 2012)
Chongqing University, Chongqing, China (Bachelor of Applied Chemistry, 2007)


RESEARCH INTERESTS

Combustion chemical kinetics and mechanism reduction
Alternative fuels
Computational flame diagnostics
Computational chemistry and molecular simulation


PUBLICATIONS

Journal Articles

1.Wang Quan-De*, Skeletal mechanism generation for methyl butanoate combustion via directed relation graph based methods, Acta Physico-Chimica Sinica, 2016, 32(3), 595-604.

2.Wang Quan-De, Ni Zhong-Hai*, Theoretical and kinetic study of the hydrogen atom abstraction reactions of unsaturated C6 methyl esters with hydroxyl radical, Chemical Physics Letters, 2016, 650, 119-125.

3.Liu Ziwu*, Li Meng, Wang Fang, Wang Quan-De, Novel As-doped, As and N-codoped carbon nanotubes as highly activeand durable electrocatalysts for O2 reduction in alkaline medium, Journal of Power Sources, 2016, 306(6), 535-540.

4.Wang Quan-De*, Zhang Wei-Dong, Influence of the double bond on the hydrogen abstraction reactions of methyl esters with hydrogen radical: an ab initio and chemical kinetic study, RSC Advances, 2015, 5(84), 68314-68325.

5.Fu Xin, Wang Quan-De, Liu Ziwu*, Si-doped carbon nanotubes as efficient metal-free electrocatalysts for O2 reduction in alkaline medium, Materials Letters, 2015, 158(21), 32-35.

6.Liu Ziwu*, Fu Xin, Li Meng, Wang Fang, Wang Quan-De, Kang Guojun, Peng Feng, Novel silicon-doped, silicon and nitrogen-codoped carbon nanomaterials with high activity for oxygen reduction reaction in alkaline medium, Journal of Materials Chemistry A, 2015, 3(1), 3289-3293.

7.Liu Ziwu*, Qu Junfeng, Fu Xin, Wang Quan-De, Zhong Guoyu, Peng Feng, Low Pt content catalyst supported on nitrogen and phosphorus-codoped carbon nanotubes for electrocatalytic O2 reaction in acidic medium, Materials Letters, 2015, 142, 115-118.

8.Wang Quan-De*, Wang Xing-Jian, Liu Zi-Wu, Kang Guo-Jun, Theoretical and kinetic study of the hydrogen atom abstraction reactions of ethyl esters with hydrogen radicals, Chemical Physics Letters, 2014, 616-617(25), 109-114.

9.Wang Quan-De*, Wang Xing-Jian, Kang Guo-Jun, An application of the reaction class transition state theory to the kinetics of hydrogen abstraction reactions of hydrogen with methyl esters at the methoxy group, Computational and Theoretical Chemistry, 2014, 1027, 103-111.

10.Wang Quan-De*, An updated detailed reaction mechanism for syngas combustion, RSC Advances, 2014, 4(9), 4564-4585.

11.Liu Ziwu*, Shi Qianqian, Zhang Rufan, Wang Quan-De, Kang Guojun, Peng Feng, Phosphorus-doped carbon nanotubes supported low Pt loading catalyst for the oxygen reduction reaction in acidic fuel cells, Journal of Power Sources, 2014, 268, 171-175.

12.Wang Quan-De*, Skeletal mechanism generation for high-temperature combustion of H2/CO/C1-C4 hydrocarbons, Energy & Fuels, 2013, 27(7), 4021-4030.

13.Wang Quan-De, Fang Ya-Mei, Wang Fan*, Li Xiang-Yuan*, Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate, Proceedings of the Combustion Institute, 2013, 34, 187-195.

14.Wang Quan-De, Hua Xiao-Xiao, Cheng Xue-Min, Li Juan-Qin, Li Xiang-Yuan*, Effects of fuel additives on the thermal cracking of n-decane from reactive molecular dynamics, Journal of Physical Chemistry A, 2012, 116(15), 3794-3801.

15.Wang Quan-De, Fang Ya-Mei, Wang Fan*, Li Xiang-Yuan*, Skeletal mechanism generation for high-temperature oxidation of kerosene surrogates, Combustion and Flame, 2012, 159(1), 91-102.

16.Fang Ya-Mei, Wang Quan-De, Wang Fan*, Li Xiang-Yuan, Reduction of the detailed kinetic mechanism for high-temperature combustion of n-dodecane, Acta Physico-Chimica Sinica, 2012, 28(11), 2536-2542.

17.Cheng Xue-Min, Wang Quan-De, Li Juan-Qin, Wang Jing-Bo, Li Xiang-Yuan*, ReaxFF molecular dynamics simulations of oxidation of toluene at high temperatures, Journal of Physical Chemistry A, 2012, 116(40), 9811-9818.

18.Wang Quan-De, Wang Jing-Bo, Li Juan-Qin, Tan Ning-Xin, Li Xiang-Yuan*, Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane, Combustion and Flame, 2011, 158(2), 217-226.

19.Liang Yan-Ni, Li Jun, Wang Quan-De, Wang Fan*, Li Xiang-Yuan, Computational study of the reaction mechanism of the methylperoxy self-reaction, Journal of Physical Chemistry A, 2011, 115(46), 13534-13541.

20.Hua Xiao-Xiao, Wang Jing-Bo, Wang Quan-De, Tan Ning-Xin*, Li Xiang-Yuan, Mechanism construction and simulation for the high-temperature combustion of n-dodecane, Acta Physico-Chimica Sinica, 2011, (12), 2755-2761.

21.Li Xiang-Yuan*, Wang Quan-De, Wang Jing-Bo, Ma Jian-Yi, Fu Ke-Xiang, He Fu-Cheng, Nonequilibrium solvation energy by means of constrained equilibrium thermodynamics and its application to self-exchange electron transfer reactions, Physical Chemistry Chemical Physics, 2010, 12(6), 1341-1350.

22.Xu-Jing, Wang Quan-De, Zhu Quan, Fu Ke-Xiang, He Fu-Cheng, Li Xiang-Yuan*, Time-dependent Stokes shift from solvent dielectric relaxation, Chinese Journal of Chemical Physics, 2010, 23(3), 297-302.

23.Wang Quan-De, Wu Han-Yu, Fu Ke-Xiang, Li Xiang-Yuan*, Continuum model for electronic polarization based on a novel dielectric response function, Chinese Journal of Chemical Physics, 2009, 22(5), 481-488.

24.Qi Lin-Lin, Wang Quan-De, Wang Jing-Bo, Fu Ke-Xiang, He Fu-Cheng, Li Xiang-Yuan*, Theoretical studies on self-exchange electron transfer between 2,3-dicyano-5,6-dichloro-p-benzoquinone and its radical anion (In Chinese), Chemical Journal of Chinese Universities-Chinese, 2008, 29(12), 2448-2452.


BOOK
Research Progress in Theoretical Combustion Chemistry, Wang Quan-De,China University of Mining and Technology, Xuzhou, 2015.


INVITED RESEARCH TALKS
Research Talks (2011-current).

1.Skeletal mechanism generation for methyl butanoate combustion via directed relation graph based methods, Wang Quan-De, The 29th Annual Meeting of Chinese Chemical Society, August 4-7, 2014, Oral Presentation.

2.Validation and analysis of reaction mechanisms for syngas combustion, Wang Quan-De, The Annual Combustion Meeting of Chinese Society of Engineering Thermophysics, Chongqing, China, November 8-10, 2013, Oral Presentation.

3.Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate, Wang Quan-De, The 34th International Symposium on Combustion, Warsaw, Poland, July 29-Auguest 3, 2013, Oral Presentation.

4.In silico screening of fuel additives to improve thermal cracking rate of n-decane from reactive molecular dynamics, Wang Quan-De, AIChE Annual Meeting, Minneapolis, Minnesota, United States of America, 17 October 2011, Oral Presentation.


CONFERENCES

1.Influence of the double bond on the hydrogen abstraction reactions of methyl esters with hydrogen radical: an ab initio and chemical kinetic study, Wang Quan-De, The 15th International Congress of Quantum Chemistry, ICQC2015, Beijing, China, June 8-13, 2015, Poster.

2.Skeletal mechanism generation for methyl butanoate combustion via directed relation graph based methods, Wang Quan-De, The 29th Annual Meeting of Chinese Chemical Society, August 4-7, 2014, Oral Presentation.

3.Theoretical and kinetic study of the hydrogen abstraction reactions of ethyl esters with hydrogen radicals, Wang Quan-De, The 12th National Conference of Quantum Chemistry, Taiyuan, China, June 12-15, 2014, Poster.

4.Validation and analysis of reaction mechanisms for syngas combustion, Wang Quan-De, The Annual Combustion Meeting of Chinese Society of Engineering Thermophysics, Chongqing, China, November 8-10, 2013, Oral Presentation.

5.Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate, Wang Quan-De, The 34th International Symposium on Combustion, Warsaw, Poland, July 29-Auguest 3, 2013, Oral Presentation.

6.The effects of fuel additives on thermal cracking rate of kerosene by ReaxFF reactive force field, Wang Quan-De, The 28th Annual Meeting of Chinese Chemical Society,Chengdu, China, April 13-16, 2012, Poster. (Best Poster Award)

7.In silico screening of fuel additives to improve thermal cracking rate of n-decane from reactive molecular dynamics, Wang Quan-De, AIChE Annual Meeting, Minneapolis, Minnesota, United States of America, 17 October 2011, Oral Presentation.

8.Screening and design of additives for endothermic Fuels from first principle reactive molecular dynamics, Wang Quan-De, The 11th National Conference of Quantum Chemistry, Hefei, China, May 27-30, 2011, Poster.

9.Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane, Wang Quan-De, The 33th International Symposium on Combustion, Tsinghua University, Beijing, China, August 1-6, 2010, Poster.

10.Molecular dynamics simulation of pyrolysis and combustion of hydrocarbon fuels by reactive force field, Wang Quan-De, The 5th Worldwide Chinese Theoretical and Computational Chemistry Conference (WCTCC), Xiamen, China, Dec 14-17, 2009, Poster.

11.Continuum model for electronic polarization based on a novel dielectric response function, Wang Quan-De, The 3rd Cross-Strait Theoretical and Computational Chemistry Conference (CTCC-3), Chengdu, China, April 23-27, 2009, Poster.


TEACHING
• Economic Analysis of Chemical Engineering (2014, China University of Mining and  Technology)

• Assistant teaching of Physical Chemistry (2009, Sichuan University)