物理化学学报Issue(2)：210-216,7.DOI:10.3866/PKU.WHXB201312103
基于特征值分析的正癸烷骨架和总包简化机理
Skeletal and Reduced Mechanisms of n-Decane Simplified with Eigenvalue Analysis
摘要
Abstract
Based on the eigenvalue analysis reduction method, a detailed mechanism of n-decane with 118 species and 527 reactions was simplified. A skeletal mechanism with 70 species and 327 reactions was thus obtained. The computational singular perturbation (CSP) reduction method, which is based on eigenvalue analysis, was subsequently used to simplify the skeletal mechanism, and a reduced mechanism with 38 species and 34 reaction steps was developed. Comparison between the reduced mechanism, skeletal mechanism, and detailed mechanism showed that the reduced and skeletal mechanisms could reproduce the characteristics of the detailed mechanism and give the combustion characteristics of n-decane. The development of these models represents a significant step toward coupling of chemical reaction kinetics with computational fluid dynamics, and is a good basis for improving computational efficiency.关键词
正癸烷/特征值分析/机理简化/骨架机理/总包机理Key words
n-Decane/Eigenvalue analysis/Mechanism reduction/Skeletal mechanism/Reduced mechanism分类
化学化工引用本文复制引用
钟北京,姚通,文斐..基于特征值分析的正癸烷骨架和总包简化机理[J].物理化学学报,2014,(2):210-216,7.基金项目
(51036004)国家自然科学基金(51036004)资助项目@@@@The project was supported by the National Natural Science Foundation of China （51036004）
