화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2019년 가을 (10/23 ~ 10/25, 대전컨벤션센터)
권호 25권 2호, p.1712
발표분야 열역학 (Thermodynamics)
제목 Theoretical Study of Water Contact Angle on Heterogeneous Surface via Coarse-Grained Molecular Dynamics
초록 Contact angle (CA) on solid surface is used to figure out the properties of materials in the various fields, due to its simple measurement. Although CA on the heterogeneous surface can be predicted by Cassie equation, it is only applicable to small pattern size compared to water droplet. However, it is hard to be applied because the size difference between water droplet and pattern is reduced due to miniaturization of materials. To resolve this issue, Cassie equation should be modified. In this study, modified Cassie equation and the morphology of water droplet were investigated via coarse-grained molecular dynamics. The model system was constructed with water droplet with 60 nm diameter on four types of heterogeneous surfaces. To apply the modified Cassie equation, contact line or contact area fraction was measured. As a result, CA from modified Cassie equation with contact area fraction was well matched with CA. Also, morphology of water droplet was confirmed that it has circular at small pattern and hexagonal at larger pattern. The cause of morphology change was explained with interaction and structure of water near the heterogeneous surface.
저자 신은혜, 박주현, 박진우, 이동욱, 곽상규
소속 울산과학기술원
키워드 열역학; 분자모델링 및 전산모사
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