scholarly journals The Simulation of Different Combustion Stages of Micron-sized Aluminum Particles

2021 ◽  
Vol 11 (4) ◽  
pp. 1774
Author(s):  
Zejun Hu ◽  
Tao Yang ◽  
Zhixun Xia ◽  
Likun Ma ◽  
Mingtai Li ◽  
...  

In this study, a quasi-steady combustion model of an aluminum particle is established, which is more accurate to simulate the physical combustion process. Detailed gas-phase reaction mechanism and surface reaction mechanism are considered. Moreover, the particle temperature is not constant in this work, which is calculated in different combustion stages. The judgement standard of each combustion stage is from observational data in the experiment and the simulation results of combustion durations of each stage, and distribution of ambient temperature and gas-phase species profiles are in good agreement with experimental results. The calculation results show that in the first stage, burning rate of the particle is the fastest, and in the second stage, particle temperature can drop to more than 100 K below the boiling point for the large particles, which is slightly below the boiling point for small ones. As the combustion stage changes, Da number is going to keep going down, which will lead to the transition of combustion method from diffusion-limited control to kinetic-limited control for an aluminum particle.

2007 ◽  
Vol 23 (02) ◽  
pp. 217-222
Author(s):  
LIU Le-Yan ◽  
◽  
◽  
GENG Zhi-Yuan ◽  
ZHAO Cun-Yuan ◽  
...  

2019 ◽  
Vol 21 (36) ◽  
pp. 20296-20307 ◽  
Author(s):  
Narcisse T. Tsona ◽  
Shanshan Tang ◽  
Lin Du

The role of water in preventing the barrierless hydrogen abstraction in the BrO + HO2 reaction is highlighted.


2004 ◽  
Vol 676 (1-3) ◽  
pp. 97-103 ◽  
Author(s):  
Annia Galano ◽  
J.Raúl Alvarez-Idaboy ◽  
Esther Agacino-Valdés ◽  
Ma.Esther Ruiz-Santoyo

2009 ◽  
Vol 08 (06) ◽  
pp. 1217-1226 ◽  
Author(s):  
JUN CAI ◽  
ZHIJIAN WU

Intramolecular amide hydrolysis of N-methylmaleamic acid is revisited at the B3LYP/6-311G(2df, p)//B3LYP/6-31G(d, p) + ZVPE level, including solvent effects at the CPCM-B3LYP/6-311G(2df, p)//Onsager-B3LYP/6-31G(d, p) + ZPVE level. The concerted reaction mechanism is energetically favorable over stepwise reaction mechanisms in both the gas phase and solution. The calculated reaction barriers are significantly lower in solution than in the gas phase. In addition, it is concluded that the substituents of the four N-methylmaleamic acid derivatives considered herein have a significant effect on the gas-phase reaction barriers but a smaller, or little, effect on the barriers in solution.


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