C_1-C_2燃料燃烧机理的框架简化（英文）  

Skeletal Kinetic Model Generation for the Combustion of C_1-C_2 Fuels

作　　者：李树豪[1] 李瑞[1] 郭俊江[2] 谈宁馨[2] 王繁[3] 李象远[2] 

机构地区：[1]四川大学空天科学与工程学院,成都610065 [2]四川大学化学与工程学院,成都610065 [3]四川大学原子与分子物理研究所,成都610065

出　　处：《物理化学学报》2016年第7期1623-1633,共11页Acta Physico-Chimica Sinica

基　　金：supported by the National Natural Science Foundation of China(91441132)~~

摘　　要：采用六种直接关系图类(DRG)方法对包含253个物种和1542个反应的Aramco Mech 1.3机理进行简化,并通过对所得到的六种简化机理取交集,最终得到包含81个物种和497个反应的框架机理。所得81个物种框架机理的点火延迟时间最大误差与其简化方法得到的框架机理最大误差相比并没有显著增加;这表明从不同简化方法的框架机理结果取交集可以有效去除冗余物种。基于81个物种框架机理模拟的双组分混合燃料的点火延迟时间与详细机理机理结果吻合很好。同时该框架机理在不同反应器中的模拟结果验证了温度、物种浓度分布和火焰等燃烧特性。元素流动分析结果表明,81个物种框架机理精确地再现了详细机理的燃烧反应路径。保留了详细机理的所有重要反应路径和层级结构,能够很好地再现C_1-C_2燃料的各种燃烧特性。因此,基于该81个物种框架机理可作为核心机理用于发展大分子烃类或含氧燃料的燃烧机理。The Aramco Mech 1.3 mechanism, containing 253 species and 1542 reactions for oxidation of hydrocarbon and oxygenated C1-C2 fuels, is reduced with six direct relation graph（DRG）-related methods. The final skeletal mechanism with 81 species and 497 reactions is achieved from the intersection of the resulting skeletal mechanisms obtained with these DRG-related methods. The maximum error for the ignition delay times with this 81-species mechanism does not increase significantly compared with that obtained for the other skeletal mechanisms. This shows that the intersection of skeletal mechanisms from various mechanism reduction methods can effectively remove the redundant species. Ignition delay times of two-component mixtures with the skeletal mechanism also agree very well with those of the detailed mechanism. The skeletal mechanism has also been validated against the detailed mechanism using many other combustion characters of the involved fuels in different reactors and flames. Results from the element flux analysis demonstrate that the reaction paths for these fuels with the detailed mechanism can be reproduced accurately with the 81-species skeletal mechanism. All the important reaction paths are thus retained in the 81-species mechanism. All these results show that the skeletal mechanism is able to provide the combustion properties of C1-C2 fuels that are in good agreement with those of the detailed mechanism. The 81-species skeletal mechanism can be employed as a reaction base for developing mechanisms of other large hydrocarbon or oxygenated fuels.

关 键 词：燃烧机理 框架简化 直接关系图方法 交集方法 

分 类 号：O643.21[理学—物理化学]