Modelling and simulation of multicomponent mass transport at moving liquid-liquid interfaces

到目前为止，跨移动边界传质的计算方法仅限于少数特殊情况，例如二元扩散和常数分布系数。因此，研究与技术应用相关的更一般的系统几乎是不可行的。本项目的主要目标是建立一种新的基于计算流体力学（CFD）的移动界面传质方法。该方法的特点是，它将能够控制多组分系统和任意平衡条件的相界面。作为一个测试系统，液滴在连续液相中上升将被研究。二元和三元传质都将被研究。这种系统是许多其他具有自由移动界面的流体系统的良好代表。新方法将通过允许解析或精确数值解的测试用例以及来自文献的实验数据进行验证。最后，将进行数值研究，以探讨不同工艺条件下液滴运动、界面变形和（多组分）传质行为的相互影响。

Until now, computational methods for mass transfer across moving boundaries have been limited to a few special cases, e.g., with binary diffusion and constant distribution coefficients. Therefore, the investigation of more general systems, which are relevant for technical applications, is hardly feasible. The main target of this project is to establish a novel Computational Fluid Dynamics (CFD) based approach for interfacial mass transfer at moving interfaces. The peculiarity of the approach is that it will be able to govern multicomponent systems and arbitrary equilibrium conditions at the phase interface. As a test system, a droplet rising in a continuous liquid phase will be studied. Both binary and ternary mass transfer will be investigated. Such systems are good representatives of numerous other fluid systems with free moving interfaces. The new approach will be validated with test cases which allow analytical or exact numerical solutions, and with experimental data from the literature. Finally, numerical studies will be performed to investigate the mutual impact of droplet movement, interface deformation and (multicomponent) mass transfer behavior for different process conditions.