Insight into interaction mechanisms of binary mixture systems of explosion products (H2O, CO2, and N2) at extreme high pressures and temperatures
作者： Guolin Xiong , Simin Zhu , Chunhong Yang , Weihua Zhu
DOI: 10.1016/J.CPLETT.2018.10.081
关键词: Binary number 、 Ab initio molecular dynamics 、 Chemical physics 、 Temperature and pressure 、 Materials science 、 Physical and Theoretical Chemistry 、 General Physics and Astronomy
摘要: Abstract We performed ab initio molecular dynamics simulations to study interaction mechanisms of binary mixture systems explosion products (H2O, CO2, and N2) under high temperatures pressures. It is found that there no reactions in the CO2 N2 system at extreme conditions. Only 4000 K 50 GPa, H2O began decompose. The can readily react ultimately form different reaction even a relatively low temperature pressure contrast with above two mixtures. plays negative effect on system.
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