TY - JOUR
T1 - Effects of oxidizers on the ignition and combustion characteristics of aluminum nanoparticles
AU - Zhou, Yintao
AU - Shi, Baolu
AU - Chu, Qingzhao
AU - Liao, Lijuan
N1 - Publisher Copyright:
© 2023 Elsevier B.V.
PY - 2023/4/25
Y1 - 2023/4/25
N2 - Ignition and combustion of Aluminum nanoparticles (ANPs) under complex environments are of great significance for various propulsion systems. In this study, we investigated the oxidation process of ANPs in O2, CO2, H2O, and their mixture atmospheres using reactive molecular dynamics. In the mixture atmospheres, ANPs experience a shorter ignition delay and parts of C and H atoms are involved in a new reaction named re-oxidation, where the nonbonded C and H inside ANPs detach from particle and re-bond with free O in the environment to produce extra CO and H2O. It reduces C and H in unreactive diffusion and increases O in reactive diffusion. Additionally, it is found that the ignition delay time and reaction heat release can be adjusted to achieve the optimal performance of ANPs combustion by tailoring the contents of O2, CO2, and H2O in the environment. Our works provide a theoretical basis for the precise regulation of ANPs energy release.
AB - Ignition and combustion of Aluminum nanoparticles (ANPs) under complex environments are of great significance for various propulsion systems. In this study, we investigated the oxidation process of ANPs in O2, CO2, H2O, and their mixture atmospheres using reactive molecular dynamics. In the mixture atmospheres, ANPs experience a shorter ignition delay and parts of C and H atoms are involved in a new reaction named re-oxidation, where the nonbonded C and H inside ANPs detach from particle and re-bond with free O in the environment to produce extra CO and H2O. It reduces C and H in unreactive diffusion and increases O in reactive diffusion. Additionally, it is found that the ignition delay time and reaction heat release can be adjusted to achieve the optimal performance of ANPs combustion by tailoring the contents of O2, CO2, and H2O in the environment. Our works provide a theoretical basis for the precise regulation of ANPs energy release.
KW - Aluminum nanoparticles
KW - Energy release
KW - Ignition and combustion
KW - Oxidizer atmospheres
KW - Reactive molecular dynamic simulation
UR - http://www.scopus.com/inward/record.url?scp=85150061546&partnerID=8YFLogxK
U2 - 10.1016/j.commatsci.2023.112116
DO - 10.1016/j.commatsci.2023.112116
M3 - Article
AN - SCOPUS:85150061546
SN - 0927-0256
VL - 223
JO - Computational Materials Science
JF - Computational Materials Science
M1 - 112116
ER -