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姓名	朱罡慶(Kang-Ching Chu)  查詢紙本館藏	畢業系所	化學工程與材料工程學系
論文名稱	奈米系統下的潤濕與毛細現象 (Wetting and Capillary Phenomena in Nanoscale Systems)
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摘要(中)	在宏觀系統，系統的特性通常取決於其整體的性質。但是當系統尺寸縮小到微米尺度時，界面性質（如：表面張力）會開始扮演角色。當進入奈米等級後，系統的特性將會被界面性質強烈地影響。也就是說，有些微米或奈米尺度的系統會展現宏觀系中統無法發現的特別行為。舉例來說，描述密閉管道之穿透動力學的Washburn方程某些條件下會失效（毛細現象）。此外，奈米液滴在某些具有部分潤濕性質的紋理表面時，會自發性的向外擴張（潤濕現象）。很明顯地，宏觀系統的理論已不足以用來解釋奈米系統的異常現象。正由於系統尺寸的縮小，機械裝置（如：閥門）已變的難以製造。期望開發一些方法來製造功能可以與宏觀系統中相同的納米機械裝置。為了探索上述在奈米系統下的潤濕與毛細現象，將採用多體耗散粒子動力學模擬方法。因此，利用理論模擬研究了流體在奈米管道的穿透動力學和奈米液滴在具有規律粗糙度之部分潤表面的異常擴張。此外，基於楊-拉普拉斯方程和邊緣效應，開發了一種新型的毛細奈米閥門。為了進一步了解這種新型閥門裝置，還研究了這種系統的相圖和形態學。
摘要(英)	In macroscopic systems, the system characteristics depend mainly on their bulk properties. As the system size decreases to microscopic systems, however, the interfacial properties such as interfacial tensions come into play. Down to the nanosopic level, the system behavior is significantly affected by interfacial properties. That is, some micro- and nanoscale systems exhibit special phenomena which cannot be observed in macroscopic systems. For instance, Washburn’s equation describing the penetration dynamics in closed channels fails at some conditions (capillary phenomenon). Furthermore, the spontaneous spreading can take place as a nanodroplet is deposited on some textured surfaces with partially wetting characteristic (wetting phenomenon). Obviously, the theories for macroscopic systems are not sufficient to explain the abnormal behaviors in nanoscale systems. Owing to the reduction of system size, some mechanical devices such as valves are difficult to fabricate. It is desirable to develop some approach to manufacture mechanical nanodevice, whose function can be the same as that in macroscopic systems. In order to explore above wetting and capillary phenomena in nanoscale systems, the theoretical work based on “many-body dissipative particle dynamics” simulations are used. Consequently, the penetration dynamics through nanoscale capillaries and the abnormal spontaneous spreading of nanodroplet on partially wetting surfaces with regular roughness were theoretically studied. Moreover, a novel capillary nanovalve based on the Young-Laplace equation and edge effect was developed. To understand the mechanism of this the valving device further, the phase diagram and morphology of such systems were studied as well.
關鍵字(中)	★ 潤濕現象 ★ 毛細現象 ★ 多體耗散粒子動力學 ★ Washburn 方程 ★ 完全潤濕表面 ★ 自發性擴張 ★ 表面拓墣 ★ 完全潤濕表面 ★ 楊-拉普拉斯方程 ★ 奈米毛細閥門 ★ 奈米孔洞 ★ 多重穩定態	關鍵字(英)	★ Wetting phenomena ★ Capillary phenomena ★ Many-body dissipative particle dynamics ★ Washburn′s equation ★ Total wetting surface ★ Spontaneous spreading ★ Surface topology ★ Total wetting surface ★ Young-Laplace equation ★ Capillary nanovalve ★ Nanopore ★ Multiple stable states
論文目次	Contents 中文摘要 I Abstract II 致謝 III Contents VI List of Figures IX List of Tables XIV Chapter 1 Introduction 1 1-1 Wetting Phenomena and Young’s Contact Angle 1 1-2 Wenzel and Cassie-Baxter Models 4 1-3 Roughness Topology 5 1-4 Capillarity 7 1-5 Spontaneous Imbibition 8 1-6 References 9 Chapter 2 Penetration dynamics through nanometer-scale hydrophilic capillaries: beyond Washburn’s equation and extended menisci 17 2-1 Abstract 17 2-2 Introduction 18 2-3 Simulation Method 20 2-4 Results and Discussion 23 2-4-1 Dynamic contact angle and Washburn’s equation 23 2-4-2 Beyond Washburn’s equation 28 2-4-3 Extended menisci and rate of spontaneous spreading 34 2-5 References 37 2-6 Supporting Information 42 Chapter 3 Spontaneous spreading of nanodroplets on partially wetting surfaces with continuous grooves: synergy of imbibition and capillary condensation 43 3-1 Abstract 43 3-2 Introduction 44 3-3 Simulation Method 47 3-4 Results and Discussions 51 3-4-1 Nanodroplets on surfaces with discontinuous grooves 51 3-4-2 Nanodroplets on surfaces with continuous grooves 55 3-4-3 Atypical spontaneous spreading on a partially wetting surface 59 3-4-4 Mechanism: imbibition, arrest, and capillary condensation 63 3-5 References 67 3-6 Supporting Information 74 3-6-1 Length and time scales of MDPD in the water system 74 3-6-2 The shapshots of top and side views of nanodroplets on surfaces of four patterns with discontinuous and continuous grooves 75 3-6-3 The criterion for wicking 76 3-6-4 The crossroad effect 77 Chapter 4 Pressure-gated capillary nanovalves based on liquid nanofilms 80 4-1 Abstract 80 4-2 Introduction 80 4-3 Simulation Method 83 4-4 Results and Discussion 85 4-4-1 Concave/convex menisci on a thin liquid film 85 4-4-2 On/off switch of the nanovalve 90 4-5 References 96 Chapter 5 Spontaneous formation of nanopores within a nanofilm immersed in an immiscible liquid 102 5-1 Abstract 102 5-2 Introduction 103 5-3 Simulation Method 105 5-4 Result and Discussion 108 5-4-1 Phase diagram of the meniscus shape 108 5-4-2 Multiple stable states of the meniscus shape 111 5-5 References 116 Chapter 6 Conclusions 122
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指導教授	曹恆光(Heng-Kwong Tsao)	審核日期	2021-6-11
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