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研究生： 蔡岳甫
Tsai, Yueh-Fu
論文名稱： 奈米碳球於相異流體流場內運動之探討
Study fullerene movement in the different fluid flow field
指導教授： 黃吉川
Hwang, Chi-Chuan
學位類別： 碩士
Master
系所名稱： 工學院 - 工程科學系
Department of Engineering Science
論文出版年： 2011
畢業學年度： 99
語文別： 中文
論文頁數： 43
中文關鍵詞： 奈米碳球 、低雷諾數流理論 、史托克定律
外文關鍵詞： fullerene, LowReynolds number theory, stoke’s Law
相關次數： 點閱：56  下載：2 
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    • 本文以分子動力學方法模擬奈米碳簇於流體介質中的流場作用於奈米碳簇的阻力現象，首先將奈米碳球置於一流體之自由流場中，其奈米碳球在水分子流場中平移所造成之阻力變化，並分別以不同溫度討論溫度對阻力之影響值，再將流體分子置換成氫氣(H2)、二氧化碳(CO2)、甲烷(CH4)並將結果與低雷諾數理論做相互印證。本文發現水分子在溫度爬升的過程中，其阻力值益趨上昇，與巨觀流場現象大為相異，而置換不同的流體介質後發現，在對碳簇類黏附性高的氫氣分子流場中，其阻力在一開始上升之後便慢慢逼近於0，與巨觀流場中黏性越高阻力越大的現象完全相反，流場趨近於無黏性流現象。

    In this paper, molecular dynamics simulates fullerene in the fluid medium, on the flow resistance of the phenomenon , fullerene were placed at the free flow first, move in fluid Medium at different temperatures and the differences of their resistance .We compare the result with Low Reynolds number theory. This will be the fullerene (C60) in the nanometer size of the free flow of movement with the resistance changes, different temperature . Then we replace the fluid molecules into hydrogen (H2), carbon dioxide (CO2), methane (CH4),compare the drug force curve with all of them.We found that the drug curve in water rising with more and more high temperature,it run in the opposite direction with macroscopic we see,and then we found that the drug curve in hydrogen dropping down about 0 with time.We knew that hydrogen being Adsorption with carbon nano-cluster,but it’s totally different with macroscopic.

    奈米碳球於不同流體介質流場內運動之行為探討 摘要…………………………………………………………………………..II 致謝………………………………………………………………………….IV 第一章 緒論 1-1 奈米碳球之簡介....................................................................................1 1-2奈米碳球的製備......................................................................................2 1-2-1電弧放電法……………………………………………………………3 1-2-2 燃燒法…………………………………………………………..……3 1-2-3化學氣相沉積………………………………………………..……….4 1-3文獻回顧………………………………………………………………..4 1-4 研究動機及目的……………………………………………………10 模型建構方法 2-1 Material Explorer分子動力學軟體介紹.............................................10 2-2 模型建立............................................................................................11 2-3 分子動力學勢能選取------------------------------------------------------17 2-3-1 Lennard-Jones勢能………………………………………...…………17 2-3-2　ME3Organic勢能..…………………………………………………………………….18 第三章 古典理論 3-1 低雷諾數流理論....................................................................................22 3-2 奈米碳球流場配置模型..……………………………………………....26 第四章 分析與討論 4-1溫度對阻力變化之影響……………………………….……………......29 4-2 壓差阻力與黏滯力之釐清.....................................................................31 4-3不同流體介質分子對碳球阻力之影響.................................................33 4-4 探討碳球周遭分子遠離碳球情形 ……………………………………36 第五章結論…………………………………………………………………40 第六章未來展望……………………………………………………………40 參考文獻…………………………………………………………………….41 圖目錄 圖1-1、奈米碳管於水分子流場中沖刷模擬示意圖……………….…….8 圖1-2 分子流體力學與連續體理論結合之示意圖……………….……...8 圖1-3 以穿透式電子顯微鏡觀察填充於碳管內之C60行為…………….8 圖2-1 Material Explorer軟體 ………………………………………………….………………11 圖2-2 Nanotube Modeler軟體建構圖 ……………………………………………………12 圖2-3 Material Explorer介面圖圖 …………………………………..………………………12 圖2-4 轉換分子符號示意………………… …………………………………………………….13 圖2-5 建立碳球示意圖 ………………………………………………………………………….14 圖2-6 建立水分子流場步驟示意圖 ……………………………………………………….15 圖2-7 隨機水分子流場布置圖 ……………………………………………………………….15 圖2-8 選定相關勢能之示意圖 ……………………………………………………………….16 圖2-9 設定環境條件與模擬過程中運算之情形 …………………………………….17 圖2-10 Lennard-Jones勢能函數曲線…………………………………………………………………18 圖2-11 鍵長項示意圖………………………………………………………………………………19 圖2-12 鍵角項示意圖………………………………………………………………………………19 圖2-13、扭轉角項示意圖…………………………………………………………………………..20 圖2-14、離平面項示意圖…………………………………………………………….…….20 圖3-1 球面上分力變量示意圖………………………………………….24 圖3-1 碳球置於流場示意圖…………………………………………….26 圖3-2 置換不同流體介質分子示意圖…………………………….……27 圖3-3 碳原子取樣方法示意圖…………………………………….……28 圖4-1 水分子流場碳球阻力曲線………………………………….……30 圖4-2 水分子碳球流場阻力隨溫度變化之曲線………………….……30 圖 4-3 水黏度圖………………………………………………….….…...31 圖4-4迎流面與背流面之阻力差異圖………………………….………32 圖4-5氫氣分子流場阻力示意圖…………………………………...……33 圖4-6二氧化碳分子流場碳球阻力曲線圖……………………….…….34 圖4-7甲烷分子流場碳球阻力曲線圖......................................................35 圖4-8碳球隨時間跑動與固定水分子拉長之距離示意圖......................36 圖4-9碳球隨時間跑動與選定氫氣分子拉長之距離示意圖..................38 表目錄 表 3-1 ME3Organic勢能參數表…………………………………………………….……….21

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