A nonnegativity preserved efficient algorithm for atmospheric chemical kinetic equations
文献类型：期刊论文
| 作者 | Feng, Fan1,2,3; Wang, Zifa2; Li, Jie2; Carmichael, Gregory R.4 |
| 刊名 | Applied mathematics and computation
 |
| 出版日期 | 2015-11-15 |
| 卷号 | 271页码:519-531 |
| 关键词 | Atmospheric chemistry Stiff odes Nonnegativity preservation Modified-backward-euler |
| ISSN号 | 0096-3003 |
| DOI | 10.1016/j.amc.2015.09.033 |
| 通讯作者 | Feng, fan(feng_fan_100@hotmail.com) |
| 英文摘要 | Air pollution models plays a critical role in atmospheric environment research. chemical kinetic equations is an important component of air pollution models. the chemical equations is numerically sticky because of its stiffness, nonlinearity, coupling and nonnegativity of the exact solutions. over the past decades, numerous papers about chemical equation solvers have been published. however, these solvers cannot preserve the nonnegativity of the exact solutions. therefore, in the calculation, the negative numerical concentration values are usually set to zero artificially, which may cause simulation errors. to obtain real nonnegative numerical concentration values, very small step-size has to be adopted. then enormous amount of cpu time is consumed to solve the chemical equations. in this paper, we revisit this topic and derive a new algorithm. our algorithm modified-backward-euler (mbe) method can unconditionally preserve the nonnegativity of the exact solutions. mbe is a simple, robust and efficient solver. it is much faster and more precise than the traditional solvers such as lsode and qssa. the numerical results and parameter suggestions are shown at the end of the paper. mbe is based on the p-l structure of the chemical equations and a deeper view into the nature of euler methods. it cannot only be used to solve chemical equations, but can also be applied to conquer ordinary differential equations (odes) with similar p-l structure. (c) 2015 elsevier inc. all rights reserved. |
| WOS关键词 | STIFF ODE SOLVERS ; ORDINARY DIFFERENTIAL-EQUATIONS ; CHEMISTRY PROBLEMS ; INTEGRATION ; IMPLICIT ; EXPLICIT ; MODELS |
| WOS研究方向 | Mathematics |
| WOS类目 | Mathematics, Applied |
| 语种 | 英语 |
| WOS记录号 | WOS:000364538300046 |
| 出版者 | ELSEVIER SCIENCE INC |
| URI标识 | http://www.irgrid.ac.cn/handle/1471x/2374162 |
| 专题 | 计算机网络信息中心 |
| 通讯作者 | Feng, Fan |
| 作者单位 | 1.Chinese Acad Sci, Comp Network Informat Ctr, Supercomp Ctr, Beijing, Peoples R China 2.Chinese Acad Sci, Inst Atmospher Phys, State Key Lab Atmospher Boundary Layer Phys & Atm, Beijing, Peoples R China 3.Chinese Acad Sci, Grad Univ, Beijing, Peoples R China 4.Univ Iowa, Ctr Global & Reg Environm Res, Iowa City, IA 52242 USA |
| 推荐引用方式 GB/T 7714 | Feng, Fan,Wang, Zifa,Li, Jie,et al. A nonnegativity preserved efficient algorithm for atmospheric chemical kinetic equations[J]. Applied mathematics and computation,2015,271:519-531. |
| APA | Feng, Fan,Wang, Zifa,Li, Jie,&Carmichael, Gregory R..(2015).A nonnegativity preserved efficient algorithm for atmospheric chemical kinetic equations.Applied mathematics and computation,271,519-531. |
| MLA | Feng, Fan,et al."A nonnegativity preserved efficient algorithm for atmospheric chemical kinetic equations".Applied mathematics and computation 271(2015):519-531. |
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