OS1-1-6 SiO_2-水/IPA界面近傍における液膜中の構造と物質輸送に対する温度の影響(OS1 マルチスケ-ル現象のシミュレーション技術(1))

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  • OS1-1-6 Effect of Temperature on Molecular-Scale Structure and Mass Transport Properties in the Vicinity of SiO_2-Water/IPA Interfaces

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Molecular dynamics simulations are performed in order to investigate an 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. Water and IPA liquid molecules form layer structure in the vicinity of the solid, respectively. Although temperature has an insignificant effect on the first layer from the solid, the layer structure at higher temperature decays farther away from the second layer comparing with lower temperature for both silica-water and silica-IPA systems. Moreover, interfusion of water and IPA molecules between silica substrates is simulated and coverage molecules on the substrates are analyzed for temperatures of 300K and 350K.

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