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1. Li X Y. An overview of continuum models for nonequilibrium solvation: Popular theories and new challenge. International Journal of Quantum Chemistry2015, 115, 700-721.(Review)

2. 甯红波,李泽荣,李象远. 燃烧反应动力学研究进展. 物理化学学报2016, 32(1), 131–153(综述).

3. Ning H B, Gong C M, Tan N X, et al. Low-and intermediate-temperature oxidation of ethylcyclohexane: A theoretical study. Combustion and Flame, 2015, 162, 4167-4182.


4. 明美君,毕婷君,李象远. 非平衡溶剂效应的约束平衡理论及在电子转移中的应用. 高等学校化学学报2015, 36, 2256-2261.


5.  李树豪,刘建文,李瑞,等. 碳氢燃料燃烧机理的自动简化. 高等学校化学学报2015, 36, 1576-1587.


6. 张其翼,魏微,周灏,等. 碳氢燃料低压裂解特性. 燃烧科学与技术2015, 21, 383-386.

7. XU J Q, GUO J J, LIU A K, et al. Construction of Autoignition Mechanisms for the Combustion of RP-3 Surrogate Fuel and Kinetics Simulation. ACTA PHYSICO-CHIMICA SINICA2015, 31, 643-652.

8. Zhang C, He J, Li Y, et al. Ignition delay times and chemical kinetics of diethoxymethane/O2/Ar mixtures. Fuel,  2015, 154: 346-351.

9. HE J N, LI Y L, ZHANG C H, et al. Shock Tube Ignition Delay Measurements of Decalin/Air Mixtures at High Temperatures[J]. ACTA PHYSICO-CHIMICA SINICA2015, 31, 836-842.

10. 
Ning, HongBo; Gong, ChunMing; Li, ZeRong; Li, XiangYuan. Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis. J. Phys. Chem. A2015, 119, 4093-4107.

11. Guo, JunJiang; Xu, JiaQi; Li, ZeRong; Tan, NingXin; Li, XiangYuan. Temperature and Pressure Dependent Rate Coefficients for the Reaction of C2H4 +HO2 on the C2H4O2H Potential Energy Surfac. J. Phys. Chem. A2015, 119, 3161−3170.

12. Chun-Ming Gong, Hong-Bo Ning, Ze-Rong Li, Xiang-Yuan Li. Theoretical and kinetic study of reaction C2H+C3H6 on the C5H7 potential energy surface. Theoretical Chemistry Accounts2015, 134, 1599−1612.

13. Gong, ChunMing; Ning, HongBo; Xu, JiaQi; Li, ZeRong; Zhu, Quan; Li, XiangYuan. Experimental and modeling study of thermal and catalytic cracking of n-decane. Journal of Analytical and Applied Pyrolysis2014, 110, 463−469.

14. Tang, Shiyun; Wang, Jianli; Zhu, Quan; Cheng, Yaoqiang; Li, Xiangyuan. Preparation of  Rutile TiO2 Coating by Thermal Chemical Vapor Deposition for Anticoking Applications. APPLIED MATERIALS & INTERFACES2014, 6, 17157-17165.

15. Jiao, Yi; Wang, Jianli; Zhu, Quan; Li, Xiangyuan; Cheng, Yaoqiang. Catalytic Cracking of RP-3 Jet Fuel over Pt/CeO2-Al2O3 by Adding Cu/ZSM-5. ENERGY & FUELS2014, 28, 5382-5388.

16. Liu, Ai-Ke; Jiao, Yi; Li, Shuhao; Li, Xiangyuan. Flux Projection Tree Method for Mechanism Reduction. ENERGY & FUELS2014, 28, 5426-5433.

17. Zhang, Changhua; Li, Ping; Li, Youliang; He, Jiuning; Li, Xiangyuan. Shock-Tube Study of Dimethoxymethane Ignition at High Temperatures. ENERGY & FUELS2014, 28, 4603-4610.

18. Guo Jun-Jiang; Hua Xiao-Xiao; Wang Fan; Tan, Ning-xin; Li, Xiangyuan. Systematic Approach to Automatic Construction of High-Temperature Combustion Mechanisms of Alkanes. ACTA PHYSICO-CHIMICA SINICA2014, 30, 1027-1041.

19. Guo Junjiang; Wang Jingbo; Hua Xiaoxiao; Li, Zerong; Tan, Ning-xin; Li,Xiangyuan. Mechanism Construction and Simulation for High-temperature Combustion of n-Propylcyclohexane. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES2014, 30, 480-488.

20. Tang, Shiyun; Hu, Shengwang; Zhang, Yong; Wang, Jianli; Zhu, Quan; Cheng, Yaoqiang; Li, Xiangyuan. Influence of TiN coating on products distributionfor hydrocarbon fuel cracking under high temperature and pressure. JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS2014, 107, 197-203.

21. Tang, Shiyun; Gao, Shuang; Hu, Shengwang; Wang, Jianli; Zhu, Quan; Cheng, Yaoqiang; Li, Xiangyuan. Inhibition Effect of APCVD Titanium Nitride Coating on Coke Growth during n-Hexane Thermal Cracking under Supercritical Conditions. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH2014, 53, 5432-5442.

22. Xiong, Shao-Zhuan; Yao, Qian; Li, Ze-Rong;  Li, Xiangyuan. Reaction of ketenyl radical with hydroxyl radical over C2H2O2 potential energy surface: A theoretical study. COMBUSTION AND FLAME2014, 161, 885-897.

23. Jiao, Yi; Wang, Jianli; Zhu, Quan; Li, Xiangyuan; Cheng, Yaoqiang. The performance of Pt/ZrxTixAl1-2xO2 as Kerosene cracking catalysts. CHINESE JOURNAL OF CATALYSIS2014, 35, 175-184.

24. Ju, Ting-Yong; Yang, Hua-Qing; Li, Fang-Ming; Li, Xiangyuan; Hu, Changwei. Reaction mechanism on the activation of ethane C-H and C-C bonds by a diplatinum cluster. THEORETICAL CHEMISTRY ACCOUNTS2013, 132, 1387-1400.

25. Wang, Bi-Yao; Li, Ze-Rong; Tan, Ning-Xin; Li, Xiangyuan. Interpretation and Application of Reaction Class Transition State Theory for Accurate Calculation of Thermokinetic Parameters Using Isodesmic Reaction Method.  JOURNAL OF PHYSICAL CHEMISTRY A2013, 117, 3279-3291.

26. Li, Juan-qin; Wang, Fan; Cheng, Xue-ming;  Li, Xiangyuan. Reactive Molecular Dynamics Simulation on Thermal Decomposition of n-Heptane. CHINESE JOURNAL OF CHEMICAL PHYSICS2013, 26, 211-219.  

27. Liang, Yan-Ni; Wang, Fan; Li, Xiang-Yuan. Theoretical study on low-lying states of Ga2X (X = P, As) with coupled-cluster approaches. PHYSICAL CHEMISTRY CHEMICAL PHYSICS2013, 15, 17929-17937.

28. 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 INSTITUTE2013, 34, 187-195.

29. 焦毅,秦丽晓,李雄建,王佳,王建礼,朱权,李象远,陈耀强. Zr0.5Ti0.5O2的添加对超临界裂解RP-3催化剂性能的影响. 物理化学学报2013, 29(10), 2255-2262.

30. 李树豪,方亚梅,王繁,李萍,李象远. 庚酸甲酯高温燃烧化学动力学机理的系统简化和分析. 高等学校化学学报201334, 1714-1722.

31. JIAO Yi,WANG Jia, QIN Lixiao, WANG Jianli, ZHU Quan, LI Xiangyuan, GONG Maochu, CHEN Yaoqiang. Kerosene cracking over supported monolithic Pt catalysts: Effects of SrO and BaO promoters. Chinese Journal of Catalysis2013, 34, 1139-1147.

32. 周灏,毛佳,汪必耀,朱权,王建礼,李象远. 正癸烷与二甲苯在超临界压力下的热裂解. 物理化学学报, 2013, 29(4), 689-694.

33. 王丹丹,巩春明,朱权,王建礼,李象远. 乙苯与二甲苯在超临界压力下的热裂解研究. 化学学报2013, 71, 88-92.

34. Changhua Zhang, Hongchang Tang ,Chuanzhao Zhang,Yan Zhao,Ping Li, Xiangyuan Li. Diagnosis of iso-octane combustion in a shock tube by emission spectroscopy. Chemical Physics Letters2013, 556, 13-17.

35. Quan-De Wang, Ya-Mei Fang, Fang Wang, Xiang-Yuan Li. Systematic analysis and reduction of combustion mechanism for ignition of multi-component kerosene surrogate. Proceeding of Combustion Institute2012, 34, 187-196.

36. Chun-Ming Gong, Ze-Rong Li, Xiang-Yuan Li. Theoretical Kinetic Study of Thermal Decomposition of Cyclohexane. Energy and Fuels, 2012, 26, 2811−2820.

37. 李萍,王利东,张昌华,唐洪昌,叶彬,李象远. 正癸烷燃烧反应中OH、CH和C2自由基的瞬态发射光谱. 光谱学与光谱析2012, 32, 1166-1169.

38. 王慧汝,金捷,王静波,谈宁馨,李象远. 正癸烷燃烧机理及航空煤油点火延时动力学模拟. 高等学校化学学报2012, 33, 341-345.

39. Quan-De Wang, Xiao-Xiao Hua, Xue-Min Cheng, Xiang-Yuan Li. Effects of fuel additives on the thermal cracking of n-decane from reactive molecular dynamics. The Journal of Physical Chemistry A2012, 116, 3794-3801.

40. 唐洪昌,张昌华,李萍,王利东,叶彬,李象远. 煤油自点火特性的实验研究. 物理化学学报2012, 28 (X).
 
41. Changhua Zhang, Ping Li, Junjiang Guo, and Xiangyuan Li. Shock-Tube Measurements of Toluene Ignition Times and Radical Chemiluminescent Spectra at Low Pressures. Energy and Fuels2012, 26, 1107-1113.

42. Quan-De Wang, Ya-Mei Fang, Fan Wang, Xiang-Yuan Li. Skeletal mechanism generation for high-temperature oxidation of kerosene surrogates. Combustion and Flame2012, 159, 91–102.

43. Wang Quan-De; Wang Jing-Bo; Li Juan-Qin; et al. Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane. Combustion and Flame2011, 158, 217-226.

44. Yan-Ni Liang, Jun Li, Quan-De Wang, Fan Wang, and Xiang-Yuan Li. Computational Study of the Reaction Mechanism of the Methylperoxy Self-Reaction. J. Phys. Chem. A2011, 115, 13534–13541.

45. 华晓筱,王静波,王全德,谈宁馨,李象远. 正十二烷高温燃烧机理的构建及模拟. 物理化学学报2011, 27 (12): 2755-2761.

46. 李从善,李萍,张昌华等. 甲基环己烷燃烧反应特征的光谱研究. 光谱学与光谱分析, 2011, 31, 2521-2524.

47. 谈宁馨,王静波,华晓筱,李泽荣,李象远. 甲基环己烷的高温燃烧机理及动力学模拟. 高等学校化学学报2011, 32, 1832-1837.

48. 焦毅,李军,王静波等. 正十烷裂解的实验研究和动力学模拟. 物理化学学报2011, 27, 1061-1067.

49. Shao Ju-Xiang; Gong Chun-Ming; Li Xiang-Yuan; et al. Unimolecular decomposition mechanism of vinyl alcohol by computational study. Theor. Chem. Acc.2011, 128, 341-348.

50. 李军,邵菊香,刘存喜,饶含兵,李泽荣,李象远. 碳氢燃料热裂解机理及化学动力学模拟. 化学学报2010, 68, 239.

51. Cun-Xi Liu, Ze-Rong Li, Hai-Xia Wang, Chong-Wen Zhou, Xiang-Yuan Li. Accurate Prediction of Enthalpies of Formation for general organic compounds. J. Comput. Chem.2010, 31, 2585.

52. 邵菊香,谈宁馨,刘伟雄,李象远. 空气污染组分H2O和CO2对乙烯燃烧性能的影响(II)——反应机理和动力学模拟. 物理化学学报2010, 26, 270-276.

53. 刘伟雄,杨阳,邵菊香,宋文艳,李象远,乐嘉陵. 空气污染组分H2O和CO2对乙烯燃烧性能的影响. 物理化学学报, 2009, 25, 1618-1622.

54. Chong-Wen Zhou, Ze-Rong Li, and Xiang-Yuan Li. Kinetics and Mechanism for Formation of Enols in Reaction of Hydroxide Radical with Propene. J. Phys. Chem. A2009, 113, 2372–2382.


55. Chong-Wen Zhou, Alexander M. Mebel, and Xiang-Yuan Li. An ab Initio/Rice Ramsperger Kassel Marcus Study of the Reactions of Propenols with OH. Mechanism and Kinetics of H Abstraction Channels. J. Phys. Chem. A2009, 113, 10667–10677.

56. Cun-Xi Liu, Ze-Rong Li, Chong-Wen Zhou, and Xiang-Yuan Li. Accurate Prediction of Thermodynamic Properties of Alkyl Peroxides by       Combining Density Functional Theory Calculation with Least-Square Calibration. J. Comput. Chem.2009, 30, 1007–1015.

57. Liu Wei-Xiong, He Wei, Li Hong-Bin, Li Xiang-Yuan, Le Jia-Ling. Influence of contaminations on combustion kinetics in hydrogen-fueled     engine. Chinese Sci. Bull.2009, 54, 1317-1321.

58. Chong-Wen Zhou, Ze-Rong Li, Cun-Xi Liu, and Xiang-Yuan Li. An ab initio/Rice–Ramsperger–Kassel–Marcus prediction of rate constant and product branching ratios for unimolecular decomposition of propen-2-ol and related H+CH2COHCH2 reaction. J. Chem. Phys.2008, 129, 234301.

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