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水蒸气等离子体诱导凝结分子动力学研究

Molecular Dynamics Study on Condensation Induced by Water Vapor Plasma

  • 摘要: 本文采用分子动力学方法初步讨论了水蒸气非平衡态等离子体形成机理和增强凝结机理。非平衡态等离子体放电部分建立水蒸气放电模型,基于该过程获得等离子体中的主要荷电粒子类型为O,OH和H2O+。采用密度泛函理论OH和H2O+的电荷分布进行理论计算。采用SPC/ E力场对凝结过程进行分子动力学模拟。分别计算在凝结过程中,这些荷电粒子诱导成核的增长过程。将该微观过程与宏观理论相对照,初步获得等离子体诱导蒸汽凝结的微观机理。

     

    Abstract: The formation mechanism and enhanced condensation mechanism of water vapor nonequilibrium plasma are discussed by the molecular dynamics method. In the nonequilibrium plasma discharge part, the water vapor discharge model is established. Based on this process, the main types of charged particles in the plasma are O, OH and H2O+. The density functional theory is used to calculate the charge distribution of OH and H2O+. The SPC/E force field was used to simulate the condensation process. The nucleation process induced by these charged particles in the condensation process is calculated, respectively. Compared with the macroscopic theory, the microscopic mechanism of plasma-induced vapor condensation is obtained.

     

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