Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption
文献类型：期刊论文
| 作者 | Chang, Qiang1,2; Lu, Yang1; Quan, Donghui3 |
| 刊名 | ASTROPHYSICAL JOURNAL
 |
| 出版日期 | 2017-12-10 |
| 卷号 | 851期号:1页码:13 |
| 关键词 | astrochemistry ISM: clouds ISM: molecules methods: numerical molecular processes |
| ISSN号 | 0004-637X |
| DOI | 10.3847/1538-4357/aa99d9 |
| 通讯作者 | Chang, Qiang() |
| 英文摘要 | Although the Gillespie algorithm is accurate in simulating gas-grain reaction networks, so far its computational cost is so expensive that it cannot be used to simulate chemical reaction networks that include molecular hydrogen accretion or the chemical evolution of protoplanetary disks. We present an accelerated Gillespie algorithm that is based on a quasi-steady-state assumption with the further approximation that the population distribution of transient species depends only on the accretion and desorption processes. The new algorithm is tested against a few reaction networks that are simulated by the regular Gillespie algorithm. We found that the less likely it is that transient species are formed and destroyed on grain surfaces, the more accurate the new method is. We also apply the new method to simulate reaction networks that include molecular hydrogen accretion. The results show that surface chemical reactions involving molecular hydrogen are not important for the production of surface species under standard physical conditions of dense molecular clouds. |
| WOS关键词 | CHEMISTRY ; CORES ; RECOMBINATION ; MOLECULES ; EVOLUTION |
| WOS研究方向 | Astronomy & Astrophysics |
| 语种 | 英语 |
| WOS记录号 | WOS:000417973600003 |
| 出版者 | IOP PUBLISHING LTD |
| 源URL | [http://libir.pmo.ac.cn/handle/332002/22139]  |
| 专题 | 中国科学院紫金山天文台 |
| 通讯作者 | Chang, Qiang |
| 作者单位 | 1.Chinese Acad Sci, Xinjiang Astron Observ, 150 Sci 1 St, Urumqi 830011, Peoples R China 2.Chinese Acad Sci, Key Lab Radio Astron, 150 Sci 1 St, Urumqi 830011, Peoples R China 3.Eastern Kentucky Univ, Dept Chem, Richmond, KY 40475 USA |
| 推荐引用方式 GB/T 7714 | Chang, Qiang,Lu, Yang,Quan, Donghui. Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption[J]. ASTROPHYSICAL JOURNAL,2017,851(1):13. |
| APA | Chang, Qiang,Lu, Yang,&Quan, Donghui.(2017).Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption.ASTROPHYSICAL JOURNAL,851(1),13. |
| MLA | Chang, Qiang,et al."Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption".ASTROPHYSICAL JOURNAL 851.1(2017):13. |
入库方式： OAI收割
来源：紫金山天文台
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