Mingrui Li , Na Feng , Pengfei Gao , Gang Zhou , Chunlin Chen , Bingwen Qian
{"title":"用REMC法模拟高温高压下解离效应","authors":"Mingrui Li , Na Feng , Pengfei Gao , Gang Zhou , Chunlin Chen , Bingwen Qian","doi":"10.1016/j.hedp.2023.101068","DOIUrl":null,"url":null,"abstract":"<div><p>Considering the zero-point vibration energy of fluid H<sub>2</sub>, the dissociation process of fluid H<sub>2</sub> at different temperatures and densities under 10000 K was studied by using the REMC (reaction ensemble Monte Carlo) method based on classical theory, and the results of different methods were compared and analyzed. The variation of the dissociation degree with temperature predicted by the REMC method is similar to that of the DM method, and the value of the dissociation degree is closest to that of the TB-II method. The dissociation degree of fluid H<sub>2</sub> is less than 38% at 10000 K. According to this REMC method, the fluid D<sub>2</sub> begins to dissociate when the shock pressure reaches 20 GPa. When the shock pressure is 50 GPa, the dissociation degree is 23.88%; At 100 GPa, the dissociation degree is 61.30%. The calculated dissociation value of fluid D<sub>2</sub><span> is lower than that of the QMD method under high temperature and high pressure, while it is in good agreement with the experimental results derived from light gas gun under low temperature and low pressure.</span></p></div>","PeriodicalId":49267,"journal":{"name":"High Energy Density Physics","volume":"49 ","pages":"Article 101068"},"PeriodicalIF":1.6000,"publicationDate":"2023-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Simulation of dissociation effect at high temperature and high pressure by REMC method\",\"authors\":\"Mingrui Li , Na Feng , Pengfei Gao , Gang Zhou , Chunlin Chen , Bingwen Qian\",\"doi\":\"10.1016/j.hedp.2023.101068\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>Considering the zero-point vibration energy of fluid H<sub>2</sub>, the dissociation process of fluid H<sub>2</sub> at different temperatures and densities under 10000 K was studied by using the REMC (reaction ensemble Monte Carlo) method based on classical theory, and the results of different methods were compared and analyzed. The variation of the dissociation degree with temperature predicted by the REMC method is similar to that of the DM method, and the value of the dissociation degree is closest to that of the TB-II method. The dissociation degree of fluid H<sub>2</sub> is less than 38% at 10000 K. According to this REMC method, the fluid D<sub>2</sub> begins to dissociate when the shock pressure reaches 20 GPa. When the shock pressure is 50 GPa, the dissociation degree is 23.88%; At 100 GPa, the dissociation degree is 61.30%. The calculated dissociation value of fluid D<sub>2</sub><span> is lower than that of the QMD method under high temperature and high pressure, while it is in good agreement with the experimental results derived from light gas gun under low temperature and low pressure.</span></p></div>\",\"PeriodicalId\":49267,\"journal\":{\"name\":\"High Energy Density Physics\",\"volume\":\"49 \",\"pages\":\"Article 101068\"},\"PeriodicalIF\":1.6000,\"publicationDate\":\"2023-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"High Energy Density Physics\",\"FirstCategoryId\":\"101\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1574181823000344\",\"RegionNum\":3,\"RegionCategory\":\"物理与天体物理\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"PHYSICS, FLUIDS & PLASMAS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"High Energy Density Physics","FirstCategoryId":"101","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1574181823000344","RegionNum":3,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"PHYSICS, FLUIDS & PLASMAS","Score":null,"Total":0}
Simulation of dissociation effect at high temperature and high pressure by REMC method
Considering the zero-point vibration energy of fluid H2, the dissociation process of fluid H2 at different temperatures and densities under 10000 K was studied by using the REMC (reaction ensemble Monte Carlo) method based on classical theory, and the results of different methods were compared and analyzed. The variation of the dissociation degree with temperature predicted by the REMC method is similar to that of the DM method, and the value of the dissociation degree is closest to that of the TB-II method. The dissociation degree of fluid H2 is less than 38% at 10000 K. According to this REMC method, the fluid D2 begins to dissociate when the shock pressure reaches 20 GPa. When the shock pressure is 50 GPa, the dissociation degree is 23.88%; At 100 GPa, the dissociation degree is 61.30%. The calculated dissociation value of fluid D2 is lower than that of the QMD method under high temperature and high pressure, while it is in good agreement with the experimental results derived from light gas gun under low temperature and low pressure.
期刊介绍：
High Energy Density Physics is an international journal covering original experimental and related theoretical work studying the physics of matter and radiation under extreme conditions. ''High energy density'' is understood to be an energy density exceeding about 1011 J/m3. The editors and the publisher are committed to provide this fast-growing community with a dedicated high quality channel to distribute their original findings.
Papers suitable for publication in this journal cover topics in both the warm and hot dense matter regimes, such as laboratory studies relevant to non-LTE kinetics at extreme conditions, planetary interiors, astrophysical phenomena, inertial fusion and includes studies of, for example, material properties and both stable and unstable hydrodynamics. Developments in associated theoretical areas, for example the modelling of strongly coupled, partially degenerate and relativistic plasmas, are also covered.
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