Novel Numerical Method for Studying Water Freezing on Surfaces Texturized by Laser.

Within this study, a methodology for the numerical simulation of droplet freezing, including a micrometer texturized pattern, was developed. The finite volume method was then applied to simulate the behavior of water droplets. The procedure was divided into two processes: stabilization and freezing.

The stability of amino-functionalized polyhedral oligomeric silsesquioxanes in water.

Octa(aminopropylsilsesquioxane) Si8O12[(CH2)3NH2]8 is a very important precursor for many other hybrid organic/inorganic polyhedral oligomeric silsesquioxanes (POSS) because of the reactivity of its primary amine groups. Unfortunately, it is unstable in water, which can lead to the cleavage of its siloxane cage. In the present work, such a degradation was confirmed using solid-state (29)Si NMR spectroscopy, and the molecular features at the basis of this instability were studied using molecular dynamics simulations (MD).