The molecular modelling was be applied in order to calculate the work of adhesion between solutions of water, isopropyl alcohol (IPA) and silicon. The work of adhesion was calculated by using two computational methods based on experiment as well as numerical simulations. The method of wetting angle in case of the molecular modelling was used in order to compare simulation results with with the wetting angle experimental results. The main aim of the work was to make a comparison between the achieved values of the work of adhesion using simulations and the experiment. In comparison to the previously reported results [1], the current goal was to continue the research in order to improve and apply the developed method for surfactants, which are used in a process of silicon etching. Better understanding of adhesion phenomena can result in improvement of etching and the same can lead to the quality improvement of MEMS devices, as well as reduce their production cost. This work continues the previous research in that area where wetting angle and other methods where used to determine the adhesion work between IPA and silicon.
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