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Molecular Dynamics Approach to Bubble Dynamics and Sonoluminescence

机译:气泡动力学和声致发光的分子动力学方法

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We report on molecular dynamics simulations with several million particles of the collapse of bubbles including heat conduction across the boundary, evaporation and condensation of water at the gas-liquid interface, different species in the inside including water vapour, and chemical reactions. Compression and shock waves are present under suitable conditions and fairly stable. Chemical reactions strongly lower the temperature in the inside. The reacting species are distributed inhomogeneously in the bubble with the OH-radical accumulating in the center of the bubble.
机译:我们报告了分子动力学模拟,其中包括气泡破裂的数百万个粒子,包括跨边界的热传导,气-液界面处水的蒸发和冷凝,内部包括水蒸气的各种物质以及化学反应。压缩波和冲击波在合适的条件下存在并且相当稳定。化学反应会大大降低内部温度。反应物质在气泡中不均匀地分布,而OH自由基在气泡的中心累积。

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