A direct method of calculating sensitivity coefficients of chemical kinetics | |
Shen, J | |
刊名 | JOURNAL OF CHEMICAL PHYSICS
![]() |
1999 | |
卷号 | 111期号:16页码:7209-7214 |
英文摘要 | In this paper, a new direct method of calculating the first-order sensitivity coefficients using sparse matrix technology to chemical kinetics is presented. The Gear type procedure is used to integrate a model equation and its coupled auxiliary sensitivity coefficient equations. Because the Jacobian matrix of the model equation is the same as that of the sensitivity coefficient equation with respect to a parameter, it is only necessary to triangularize the matrix related to the Jacobian matrix of the model equation. The FORTRAN subroutines of the model equation, the sensitivity coefficient equations, and their Jacobian analytical expressions are generated automatically from chemical mechanism. This method greatly increases the efficiency of computation by taking advantage of the fact that the auxiliary equations for different sensitivity coefficients are linear and quite similar. Two sets of chemical reactions are used to illustrate this approach: oxidation of formaldehyde in the presence of carbon monoxide and photo-oxidation of dimethyl sulfide. The accuracy and computational efficiency of the new direct method is demonstrated by comparing the results from the new direct method and from the indirect method. (C) 1999 American Institute of Physics. [S0021-9606(99)00540-1]. |
研究领域[WOS] | Physics |
WOS记录号 | WOS:000083052100006 |
内容类型 | 期刊论文 |
源URL | [http://ir.rcees.ac.cn/handle/311016/24197] ![]() |
专题 | 生态环境研究中心_城市与区域生态国家重点实验室 |
推荐引用方式 GB/T 7714 | Shen, J. A direct method of calculating sensitivity coefficients of chemical kinetics[J]. JOURNAL OF CHEMICAL PHYSICS,1999,111(16):7209-7214. |
APA | Shen, J.(1999).A direct method of calculating sensitivity coefficients of chemical kinetics.JOURNAL OF CHEMICAL PHYSICS,111(16),7209-7214. |
MLA | Shen, J."A direct method of calculating sensitivity coefficients of chemical kinetics".JOURNAL OF CHEMICAL PHYSICS 111.16(1999):7209-7214. |
个性服务 |
查看访问统计 |
相关权益政策 |
暂无数据 |
收藏/分享 |
除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。
修改评论