Mesoscale simulation of wetting dynamics and interface reactivity (M04)

M04项目将通过格子-玻尔兹曼模拟来解决与所有实验领域相关的中尺度现象。在催化剂运行过程中，在热生成和质量传递的驱动下，IL膜和金属液滴对衬底的润湿和脱湿动力学将得到阐明。M04将评估接触角及其变化，这取决于多孔支撑体的几何形状、il和液态金属在这种支撑体中的扩散和吸积动力学、表面位置的可达性、热流密度和由此产生的周转率。了解这些影响的组合，我们将使实验结果合理化，并提出改进材料和工艺的策略。

Project M04 will address mesoscale phenomena relevant to all experimental areas by means of lattice-Boltzmann simulations. The dynamics of wetting and dewetting of substrates by IL films and metal droplets will be elucidated driven by heat formation and mass transport during catalyst operation. M04 will assess contact angles and their variation depending on the geometry of porous supports, the dynamics of spreading and imbibition of ILs and liquid metals in such supports, the accessibility of surface sites, the heat flux, and the resulting turnover rates. Understanding the combination of these effects, we will rationalise experimental findings and propose strategies for the improvement of materials and processes.