Effects of Different Guests on Pyrolysis Mechanism of α-CL−20/Guest at High Temperatures by Reactive Molecular Dynamics Simulations at High Temperatures

Effects of Different Guests on Pyrolysis Mechanism of α-CL−20/Guest at High Temperatures by Reactive Molecular Dynamics Simulations at High Temperatures

The host–guest inclusion strategy has the potential to surpass the limitations of energy density and suboptimal performances of single explosives. The guest molecules can not only enhance the detonation performance of host explosives but also can enhance their stability. Therefore, a deep analysis o...

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Bibliographic Details
Main Authors: Mingming Zhou, Jing Luo, Dong Xiang
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:International Journal of Molecular Sciences
Subjects:
host-guest inclusion strategy
pyrolysis decomposition
ReaxFF-MD
reaction rate
Online Access:https://www.mdpi.com/1422-0067/24/3/1840

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