中国科学院机构知识库网格
Chinese Academy of Sciences Institutional Repositories Grid
Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption

文献类型:期刊论文

作者Quan, Donghui3; Lu, Yang1; Chang, Qiang1,2
刊名ASTROPHYSICAL JOURNAL
出版日期2017-12-10
卷号851期号:1页码:68
关键词Astrochemistry Ism: Clouds Ism: Molecules Methods: Numerical Molecular Processes
ISSN号0004-637X
DOI10.3847/1538-4357/aa99d9
产权排序1
文献子类Article
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.

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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
资助机构National Natural Science foundation of China(11673054)
源URL[http://ir.xao.ac.cn/handle/45760611-7/1936]  
专题恒星形成与演化研究团组
新疆天文台_射电天文研究室
研究生
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
Quan, Donghui,Lu, Yang,Chang, Qiang. Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption[J]. ASTROPHYSICAL JOURNAL,2017,851(1):68.
APA Quan, Donghui,Lu, Yang,&Chang, Qiang.(2017).Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption.ASTROPHYSICAL JOURNAL,851(1),68.
MLA Quan, Donghui,et al."Accelerated Gillespie Algorithm for Gas-Grain Reaction Network Simulations Using Quasi-steady-state Assumption".ASTROPHYSICAL JOURNAL 851.1(2017):68.

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来源:新疆天文台

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