Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MD
At present, when CFD method is used to predict surface heat flux, it is generally assumed that the wall condition is full-catalytic wall or non-catalytic wall. Heat flux prediction can be greatly affected by different wall catalytic conditions, and a more reasonable numerical solution can be obtaine...
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| Format: | Article |
| Language: | zho |
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China Astronautic Publishing CO., LTD. ; Editorial Office of Physics of Gases
2024-11-01
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| Series: | 气体物理 |
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| Online Access: | http://qtwl.xml-journal.net/cn/article/doi/10.19527/j.cnki.2096-1642.1110 |
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| _version_ | 1850238512270409728 |
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| author | Jiahao SONG Fan MO Zhenxun GAO |
| author_facet | Jiahao SONG Fan MO Zhenxun GAO |
| author_sort | Jiahao SONG |
| collection | DOAJ |
| description | At present, when CFD method is used to predict surface heat flux, it is generally assumed that the wall condition is full-catalytic wall or non-catalytic wall. Heat flux prediction can be greatly affected by different wall catalytic conditions, and a more reasonable numerical solution can be obtained by using finite-rate catalytic model. However, due to the nonlinear, nonequilibrium, and multiscale characteristics of the catalytic recombination process of high-enthalpy chemical reaction flows on material surfaces, it is extremely difficult to accurately describe the finite-rate catalytic model. In this paper, a finite-rate catalytic model describing the interaction of O and N atoms with SiO2 surface was constructed by ReaxFF-molecular dynamics method based on the theory and simulation at the microscale. The reentry flow fields of space shuttle orbiter under different catalytic conditions were calculated and compared. The results show that the predicted heat flux of the finite-rate catalytic model agrees well with the flight test data of STS-3 in the altitude range of 70.1 km to 57.8 km, and the model has a certain degree of accuracy. |
| format | Article |
| id | doaj-art-c5530fd3da9540239d4b45a0438138dc |
| institution | OA Journals |
| issn | 2096-1642 |
| language | zho |
| publishDate | 2024-11-01 |
| publisher | China Astronautic Publishing CO., LTD. ; Editorial Office of Physics of Gases |
| record_format | Article |
| series | 气体物理 |
| spelling | doaj-art-c5530fd3da9540239d4b45a0438138dc2025-08-20T02:01:25ZzhoChina Astronautic Publishing CO., LTD. ; Editorial Office of Physics of Gases气体物理2096-16422024-11-0196344510.19527/j.cnki.2096-1642.1110qtwl-9-6-34Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MDJiahao SONG0Fan MO1Zhenxun GAO2Guangdong Aerospace Research Academy(Nansha), Guangzhou 511458, ChinaSchool of Aeronautic Science and Engineering, Beihang University, Beijing 100191, ChinaSchool of Aeronautic Science and Engineering, Beihang University, Beijing 100191, ChinaAt present, when CFD method is used to predict surface heat flux, it is generally assumed that the wall condition is full-catalytic wall or non-catalytic wall. Heat flux prediction can be greatly affected by different wall catalytic conditions, and a more reasonable numerical solution can be obtained by using finite-rate catalytic model. However, due to the nonlinear, nonequilibrium, and multiscale characteristics of the catalytic recombination process of high-enthalpy chemical reaction flows on material surfaces, it is extremely difficult to accurately describe the finite-rate catalytic model. In this paper, a finite-rate catalytic model describing the interaction of O and N atoms with SiO2 surface was constructed by ReaxFF-molecular dynamics method based on the theory and simulation at the microscale. The reentry flow fields of space shuttle orbiter under different catalytic conditions were calculated and compared. The results show that the predicted heat flux of the finite-rate catalytic model agrees well with the flight test data of STS-3 in the altitude range of 70.1 km to 57.8 km, and the model has a certain degree of accuracy.http://qtwl.xml-journal.net/cn/article/doi/10.19527/j.cnki.2096-1642.1110hypersonicchemical nonequilibriumfinite-rate catalysisreaxff-md |
| spellingShingle | Jiahao SONG Fan MO Zhenxun GAO Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MD 气体物理 hypersonic chemical nonequilibrium finite-rate catalysis reaxff-md |
| title | Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MD |
| title_full | Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MD |
| title_fullStr | Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MD |
| title_full_unstemmed | Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MD |
| title_short | Numerical Simulation of Finite-Rate Catalytic Model Based on ReaxFF-MD |
| title_sort | numerical simulation of finite rate catalytic model based on reaxff md |
| topic | hypersonic chemical nonequilibrium finite-rate catalysis reaxff-md |
| url | http://qtwl.xml-journal.net/cn/article/doi/10.19527/j.cnki.2096-1642.1110 |
| work_keys_str_mv | AT jiahaosong numericalsimulationoffiniteratecatalyticmodelbasedonreaxffmd AT fanmo numericalsimulationoffiniteratecatalyticmodelbasedonreaxffmd AT zhenxungao numericalsimulationoffiniteratecatalyticmodelbasedonreaxffmd |