李象远 - 四川大学 - 化学工程学院

研究领域

燃烧反应动力学发展数据库和计算软件，构建碳氢燃料裂解和燃烧反应的详细机理，开展动力学模拟和机理简化，为发动机燃烧仿真和超燃冲压发动机主动冷却结构设计发展动力学模型；开展碳氢燃料裂解和热沉评价实验，研究超临界条件下燃料的催化裂解和结焦特性，发展超燃冲压发动机主动冷却技术。开展激波管实验和燃烧光谱诊断，研究燃料点火延迟特性和燃烧过程的自由基历程。溶剂化理论基于热力学的外场约束平衡方法,建立了非平衡溶剂化新理论，发展了多种新的溶剂效应解析模型和数值解方法，解决了Marcus诺贝尔奖理论高估溶剂重组能的历史问题。2015年在Int. J. Quantum Chem.

近期论文

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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）. Ning, H.-B., et al., “Pressure-Dependent Kinetics of Initial Reactions in Iso-octane Pyrolysis”,J.Phys.Chem. A, 2015,119,4093. Liu, A.-K., et al.,“Flux Projection Tree Method for Mechanism Reduction”, Energy Fuels, 2014,28,5426. Xiong, S.-Z., et al., “Reaction of ketenyl radical with hydroxyl radical over C2H2O2 potential energy surface: a theoretical study”,Combust. Flame,2014,161,885. Wang, Q.-D., et al., “Systematic analysis and reduction of combustion mechanisms for ignition of multi-component kerosene surrogate”, Proc. Combust. Inst.,2013, 34 187. Wang Q.-D., at al. “keletal mechanism generation for high-temperature oxidation of kerosene surrogates”, Combust. Flame,2012: 91. Wang Q.-D., “Reactive molecular dynamics simulation and chemical kinetic modeling of pyrolysis and combustion of n-dodecane”, Combust. Flame, 2011, 158: 217. Li X.-Y., “An Overview of Continuum Models for Nonequilibrium Solvation: Popular Theories and New Challenge”, Int. J. Quantum Chem. (Review), 2015, 115, 700. Bi T.-J., et al., “Numerical solution of solvent reorganization energy and its application in electron transfer reaction”,Theor. Chem. Acc., 2014,133,10,1. Ren H.-S. et al.,“Solvent effect on UV/Vis absorption and emission spectra in aqueous solution based on a modified form of solvent reorganization energy”, Chem. Phys. Lett., 2013, 583,213. Ren H.-S., et al., “Theoretical Calculation of Reorganization Energy for Electron Self-Exchange Reaction by Constrained Density Functional Theory andConstrained Equilibrium Thermodynamics”, J. Phys. Chem. A, 2013, 117, 8017. Wu H.-Y., et al. “A Modified Two-sphere Model for Solvent Reorganization Energy in Electron Transfer”, Phys. Chem. Chem. Phys., 2012,14, 5538.