Molecular Dynamics of Fluid-Solid Systems

流固系统的分子动力学

• 批准号: 9200991
• 负责人: Joel Koplik
• 金额: $ 39万
• 依托单位: CUNY City College
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-11-15 至 1997-04-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9200991&HistoricalAwards=false
• 关键词: Molecular; Dynamics; Fluid; Solid; Systems

A numerical simulation technique based on molecular dynamics is to be applied to a variety of phenomena involving fluid- solid and fluid-fluid interfaces at very small scale resolution. Earlier research by the investigators will be extended and generalized. The study will apply the model to the dynamic contact line between two immiscible fluids and a solid boundary, including roughness effects and precursor films. Coalescence and splashes will be modeled, as will the matching of calculations on these very small scales and the remainder of the fluid on a much larger, bulk scale. Structured molecules will be added to the model to account for complex rheological effects. The study will clarify wetting, film rupture, phase separation and phase change phenomena, all of which are of importance in a variety of processes in Chemical and Mechanical Engineering.

一种基于分子动力学的数值模拟技术 适用于各种流体现象 在非常小的尺度上的固体和流体-流体界面 分辨率研究人员的早期研究将是 扩展和推广。该研究将把该模型应用于 两种不互溶流体之间的动态接触线和 固体边界，包括粗糙度效应和前体 薄膜.将对聚结和飞溅进行建模， 在这些非常小的尺度上的计算与 在更大的批量规模上的流体的剩余部分。 结构化分子将被添加到模型中，以解释 复杂的流变效应 该研究将阐明润湿、膜破裂、相分离 和相变现象，所有这些都是重要的， 化学和机械工程中的各种工艺。