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

到目前为止，跨越移动边界的质量传递的计算方法仅限于少数特殊情况，例如，具有二元扩散和恒定分布系数。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。本计画的主要目的是建立一种新的以计算流体力学为基础的方法来研究移动界面的传质。该方法的特点是，它将能够管理多组分系统和任意的相界面平衡条件。作为试验系统，将研究在连续液相中上升的液滴。将研究二元和三元传质。这样的系统是具有自由移动界面的许多其他流体系统的良好代表。新的方法将与测试用例，允许解析或精确的数值解，并从文献中的实验数据进行验证。最后，数值研究将进行调查的液滴运动，界面变形和（多组分）的传质行为的相互影响，为不同的工艺条件。

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.