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研究生:余佳穎
研究生(外文):Chia-Ying Yu
論文名稱:開發預測雙子型界面活性劑之自組裝結構的方法
論文名稱(外文):DEVELOPING THE METHOD OF PREDICTING THE SELF-ASSEMBLES STRUCTURE OF GEMINI SURFACTANTS
指導教授:陳儀帆
指導教授(外文):Yi-Fan Chen
學位類別:碩士
校院名稱:國立中央大學
系所名稱:化學工程與材料工程學系
學門:工程學門
學類:化學工程學類
論文種類:學術論文
論文出版年:2019
畢業學年度:107
語文別:英文
論文頁數:143
中文關鍵詞:自組裝結構雙子型界面活性劑由下而上堆疊參數自由能
外文關鍵詞:self-assembly structuregemini surfactantbottom-uppacking parameterfree energy
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以往人們都是以得到的物質之性質來選擇適合它的用途,然而我們都知道世界上所有物質都是以分子或是原子組裝而成;所以理論上,我們可以調整自組裝結構來設計出我們想要的物理性質的物質,也就是說,以往是使用由上而下的方式,而此篇研究想以由下而上的方式來設計我們想要的物質。
為了要用由下而上的方式設計材料,我們必須先找到自組裝行為如何受到物質本身的化學結構、外在環境因素及外力影響,並且了解結構與物理性質間的關聯性。
堆疊參數是描述分子結構與自組裝結構的關係,我們能從分子結構計算出某環境下的堆疊參數,且推測自組裝結構,但堆疊參數有些缺點。所以我們利用連續體力學的描述,由自由能的角度解釋自組裝行為。
透過此研究,我們得知能從自發曲率及彎曲模數觀察自組裝行為,所以只要知道其參數便能設計我們想要的物質。
Materials are assembled molecule by molecule, theoretically, as long as understanding of their structures, assembly properties of individual molecular, this is likely to use ‘bottom-up’ approach to design the materials which we want by changing their structures.
In order to design materials, finding out how self-assembly behavior is affected by the chemical structure of the substance, external environmental factors and external forces, and coming to understand the relationship between them.
The relation between molecular structure and self-assembly properties can describe by packing parameter, but it exists some disadvantage, on the contrary, at continuum mechanics, the monolayer formed self-assembly behavior is considered a continuous flexible solid thin film, and it can describe by the elastic energy density.
Through our experiment (SAXS and SANS), We think that we could use the spontaneous curvature and bending modulus to check the self-assembly structure, so when we know these parameters, we could develop the structure we wanted.
摘要 ............................................................................................................................................ I
ABSTRACTS ............................................................................................................................ II
致謝 ......................................................................................................................................... III
TABLE OF CONTENTS ........................................................................................................ IV
LIST OF FIGURE .................................................................................................................. VII
LIST OF TABLE ..................................................................................................................... IX
LIST OF EQUATION ............................................................................................................... X
LIST OF ABBREVIATION.................................................................................................... XI
CHAPTER 1 INTROUDCTION ........................................................................................... 1
1-1. Designer’s materials ................................................................................................. 1
1-2. Surfactants ................................................................................................................ 2
1-2-1. Self-assembly behavior of surfactant .............................................................. 5
1-2-2. Gemini surfactant ............................................................................................ 7
1-3. Packing parameter .................................................................................................... 9
1-4. Elastic properties .................................................................................................... 12
1-4-1. Spontaneous curvature (C0) ........................................................................... 14
1-4-2. Bending modulus ........................................................................................... 15
1-5. Motivation .............................................................................................................. 16
CHAPTER 2 MATERIALS AND EXPERIMENTAL METHOD ..................................... 18
2-1. Materials ................................................................................................................ 18
2-1-1. Lipid .............................................................................................................. 18
2-1-2. General chemicals ......................................................................................... 19
2-2. Sample Preparation ................................................................................................ 21

2-2-1. Gemini surfactant synthesis ........................................................................... 21
2-2-2. Lipid dispersion preparation .......................................................................... 30
2-2-3. Neutron sample preparation .......................................................................... 38
2-3. Experimental Method ............................................................................................. 43
2-3-1. Small angle X-ray scattering (SAXS) ........................................................... 43
2-3-2. Small angle neutron scattering (SANS) ........................................................ 46
2-3-3. Langmuir trough ............................................................................................ 49
2-4. Analytical instruments and data processing ........................................................... 51
2-4-1. Nuclear magnetic resonance spectroscopy (NMR) ....................................... 51
2-4-2. Mass spectrometry ......................................................................................... 52
2-4-3. Reconstruction electron density .................................................................... 53
2-4-4. Quantify spontaneous curvature .................................................................... 57
2-4-5. Quantify bending modulus ............................................................................ 58
CHAPTER 3 RESULT ........................................................................................................ 60
3-1. 1H NMR spectrum and 13C NMR spectrum ........................................................... 61
3-1-1. C12412 .......................................................................................................... 62
3-1-2. C12612 .......................................................................................................... 63
3-1-3. C16416 .......................................................................................................... 65
3-1-4. C16616 .......................................................................................................... 66
3-2. Mass spectrum ....................................................................................................... 68
3-2-1. C12412 .......................................................................................................... 68
3-2-2. C12612 .......................................................................................................... 69
3-2-3. C16416 .......................................................................................................... 69
3-2-4. C16616 .......................................................................................................... 70
3-3. Spontaneous curvature of gemini surfactant .......................................................... 71
3-4. Bending modulus of gemini surfactant .................................................................. 76
3-5. The surface per molecule from Langmuir trough .................................................. 82
3-6. The properties of micelle structure from SANS .................................................... 83

3-6-1. C12412 .......................................................................................................... 88
3-6-2. C12612 .......................................................................................................... 94
3-6-3. C16416 .......................................................................................................... 99
3-6-4. C16616 ........................................................................................................ 106
3-7. The elastic energy per unit area (gE) for C16416 ................................................. 111
3-7-1. The Cylinder Model .................................................................................... 113
3-7-2. The Ellipsoid Model .................................................................................... 115
CHAPTER 4 DISCUSSION ............................................................................................. 118
4-1. Spontaneous curvature and bending modulus ...................................................... 118
4-2. The relationship between packing parameter and spontaneous curvature ........... 120
CHAPTER 5 CONCULSION ........................................................................................... 122
REFERENCE ........................................................................................................................ 123
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