| Stochastic simulation of hydrogen-oxygen auto-ignition at the microscale | |
Yang C(杨超); Hu Y(胡远); Wang XY(王小永); Hong QZ(洪启臻) ; Sun QH(孙泉华)
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| Source Publication | JOURNAL OF CHEMICAL PHYSICS
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| 2023-08-28 | |
| Volume | 159Issue:8Pages:84105 |
| ISSN | 0021-9606 |
| Abstract | A hybrid stochastic simulation method is developed to study H-2-O-2 auto-ignition at the microscale. Simulation results show that the discrete and stochastic characteristics of reaction collisions have notable impacts on the ignition process, particularly in the early stages when only a few radicals exist. The statistical properties of ignition delay time, which reflect the accumulated stochasticity during ignition, are obtained and analyzed for different initial temperatures and total molecular numbers. It is found that the average and standard deviation of ignition delay time increase as the total molecular number decreases, with this phenomenon being particularly pronounced near the crossover temperature. When the total molecular number is sufficiently small, the chain initiation reaction becomes crucial to the stochastic properties, as its average firing time exhibits an inverse proportionality to the total molecular number. As the total molecular number increases, the influence of other chain reactions intensifies, causing the power law relation between standard deviation and total molecular number to shift from -1 power to -0.5 power. Owing to different chain reaction paths for high- and low-temperature auto-ignition, the strongest relative fluctuation occurs near the crossover temperature. A theoretical equation for the standard deviation of ignition delay time is obtained based on dimensional analysis, giving excellent agreement with the simulation results in both high- and low-temperature modes. |
| DOI | 10.1063/5.0154560 |
| Indexed By | SCI ; EI |
| Language | 英语 |
| WOS ID | WOS:001052664500005 |
| WOS Research Area | Chemistry ; Physics |
| WOS Subject | Chemistry, Physical ; Physics, Atomic, Molecular & Chemical |
| Funding Organization | Strategic Priority Research Program of the Chinese Academy of Sciences [XDA17030100] ; National Natural Science Foundation of China [12202458] |
| Classification | 二类/Q1 |
| Ranking | 1 |
| Contributor | Sun, QH (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China. ; Sun, QH (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100190, Peoples R China. |
| Citation statistics | |
| Document Type | 期刊论文 |
| Identifier | http://dspace.imech.ac.cn/handle/311007/92643 |
| Collection | 高温气体动力学国家重点实验室 |
| Affiliation | 1.{Yang C.} Chinese Acad Sci Inst Mech Wide Range Flight Engn Sci & Applicat Ctr Beijing 100190 Peoples R China 2.{Hu Y., Wang X. Y., Hong Q. Z., Sun Q. H.} Chinese Acad Sci Inst Mech State Key Lab High Temp Gas Dynam Beijing 100190 Peoples R China 3.{Sun Q. H.} Univ Chinese Acad Sci Sch Engn Sci Beijing 100190 Peoples R China |
| Recommended Citation GB/T 7714 | Yang C,Hu Y,Wang XY,et al. Stochastic simulation of hydrogen-oxygen auto-ignition at the microscale[J]. JOURNAL OF CHEMICAL PHYSICS,2023,159,8,:84105.Rp_Au:Sun, QH (corresponding author), Chinese Acad Sci, Inst Mech, State Key Lab High Temp Gas Dynam, Beijing 100190, Peoples R China., Sun, QH (corresponding author), Univ Chinese Acad Sci, Sch Engn Sci, Beijing 100190, Peoples R China. |
| APA | 杨超,胡远,王小永,洪启臻,&孙泉华.(2023).Stochastic simulation of hydrogen-oxygen auto-ignition at the microscale.JOURNAL OF CHEMICAL PHYSICS,159(8),84105. |
| MLA | 杨超,et al."Stochastic simulation of hydrogen-oxygen auto-ignition at the microscale".JOURNAL OF CHEMICAL PHYSICS 159.8(2023):84105. |
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| Jp2023Fa307.pdf（8545KB） | 期刊论文 | 出版稿 | 开放获取 | CC BY-NC-SA | View Download | |
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