Abstract

With the recent miniaturization of semiconductor manufacturing processes, various problems have arisen in the wet production process of semiconductors. In particular, pattern collapse during the cleaning process is a well-known problem, and liquid substitution is required to prevent it. To clarify the detailed mechanism of the pattern collapse, transport mechanism of liquid molecules in the vicinity of solid surfaces is being actively studied. In this study, we employed molecular dynamics (MD) simulation to analyze the mass transport phenomena of liquid isopropyl alcohol (IPA) molecules near a SiO2 solid surface in the perpendicular direction to the interface. In particular, the validity of a theoretical model that follows the kinetic process was examined. In this model, the mass transport of liquid molecules is described by the rate constant given by the Arrhenius equation with the free energy barrier for a molecule to jump between adsorption molecular layers. We also compared our results of IPA–SiO2 system with those of our previous study on water–SiO2 system. We found that a linear relationship that is predicted by the theoretical model is satisfied, but the theory still remains to be refined to quantitatively predict the rate constant.

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