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Molecular Dynamics Simulation of supercritical spray at micro & nano scale
( Zhang Yunxiao ),( Fu Qingfei ),( Mo Chaojie ),( Yang Lijun ) 한국액체미립화학회 2017 한국액체미립화학회 학술강연회 논문집 Vol.2017 No.-
The supercritical jets have many applications in many fields ranging from aerospace propulsion to chemical engineering. However, there is still lack of relevant theoretical research on the characteristics of supercritical fluids, and also lack of deep understanding of the destabilization mechanism of supercritical jets. Molecular dynamics method, which has been quite mature, can simulate extreme harsh physical conditions and exceptionally complex geometric model. The simulation process spontaneously contains all the physical effects. Therefore, the purpose of this paper is to study the characteristics and destabilization mechanism of supercritical jets from the microcosmic perspective using molecular dynamics method. Firstly, the molecular dynamics simulation of EOS (Equation of State) of liquid nitrogen was carried out. The influence of different simulation parameters on the simulation results was analyzed and then compared with the theoretical results. Four conditions were selected to study the influences of different time step, total simulation steps and truncation distance on the simulation results. The results show that the truncation distance has a great influence on the simulation precision, the time step and the total simulation steps have no significant impact on the EOS of liquid nitrogen. The results are in good agreement with the SRK (Soave-Redlich-Kwong) equation, which show the correctness of the simulation of supercritical fluids using molecular dynamics method. Secondly, the molecular dynamics simulation of supercritical nitrogen jet was carried out at different conditions. The supercritical jets ejected into a supercritical environment and a subcritical environment, respectively. Through the analysis of the results, the distribution of jet velocity, density, temperature and other jet characteristics was obtained. The interface was determined where concentration of supercritical fluid component reached 50% because the supercritical jet has no obvious vapor-liquid interface. Stable analysis of the results was performed and the disturbance growth rate of the supercritical shear layer at different conditions was obtained. Finally, the growth rate achieved by processing the results of molecular simulation was compared to the results by the linear stability analysis.
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