Molecular dynamics simulations were performed in order to investigate the impact of temperature on molecular structure and mass transport properties in the vicinity of silica-water and/or iso-propyl alcohol (IPA) liquid film interfaces. Each of water and IPA liquid molecules form layered structures in the vicinity of the solid. Although temperature has an insignificant effect on the first layer from the solid, the layered structure at higher temperature decays farther away from the second layer comparing with that at lower temperature for both silica-water and silica-IPA systems. Moreover, interfusion of water and IPA molecules between silica substrates was simulated and molecular coverage on the substrates are analyzed for temperatures of 300 K and 350 K.
Mass transport in liquids contacting solid surfaces exhibits cemplicateCl characteristics and an essential understanding of their mechanism is of critica [importance . The interfaces between SlO2 and water or IPA ( iso− propyl alcohol )are typical system in the semiconductor industry , and the molecular − scale mass transport is being required to improve the lithography and cleaning process . In the present study , molecular dynamics simulations of SiO2 − water and SiO2−IPA interfaces have been pe 曲 ed in order to investigate molecular −scale stucture ofthe adsorption ! ayers ofliquid molecules and molecular transport eharacteristics . As typical terminations of SiO2 surfaces , H − and OH − te inated ones were used and behaviors Qfliquid water and IPA molecules in the vicinity ofthese surfaces were anal yzed .
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