A molecular dynamics study of binary-component n-alkane fuel vaporization characteristics at sub/supercritical nitrogen environments

2020 ◽  
Author(s):  
Yanzhi Zhang ◽  
Ming Jia ◽  
Ping Yi ◽  
Yachao Chang ◽  
Zhixia He ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Binary Component ◽  
Fuel Vaporization

scholarly journals A molecular dynamics investigation on fuel vaporization and mixing characteristics under sub/supercritical conditions

2021 ◽  
pp. 335-335
Author(s):  
wu Wei ◽  
Tingyu Zhou ◽  
Lun Zhao ◽  
Lei Ddeng ◽  
Maozhao Xie
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Liquid Phase ◽  
Turbulent Mixing ◽  
Ambient Pressure ◽  
Phase Region ◽  
Dynamics Simulation ◽  
Mixing Process ◽  
Interface Thickness ◽  
Fuel Vaporization

Molecular dynamics simulation is performed to study the influence of environmental pressure on the mixing process. Based on the OPLS-AA full-atomic potential function, the "gas-liquid-gas" simulation box model is used to study the evaporation characteristics of n-heptane at different environmental conditions. The results show that compared with the subcritical environment, the nitrogen molecules in the supercritical condition can diffuse into the liquid phase region earlier, and the temperature of the liquid phase rise faster, and then a unified supercritical fluid could be formed. Based on the density profile, a ?gas-liquid-gas? interface thickness is defined and the interface thickness is widened as the ambient pressure increase, resulting in the conventional subcritical evaporation transition to turbulent mixing process.

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