本文選題：兩性雙子表面活性劑 + 表面張力�。� 參考：《東北石油大學》2017年碩士論文

【摘要】：表面活性劑構效關系的研究一直是較為活躍的研究領域,開發(fā)一種性能優(yōu)異、用量低、耐溫耐鹽性能好以及生物降解性優(yōu)異的表面活性劑成為當前日用化學領域研發(fā)的發(fā)展方向。本文從兩性甜菜堿型Gemini表面活性劑的結構特征出發(fā),設計合成了一系列聯(lián)結基長度不同的新型兩性甜菜堿型Gemini表面活性劑,對其結構與性能關系進行了研究,取得的主要結果如下:1、以十二伯胺、溴乙基磺酸鈉、1,2-二溴乙烷、1,4-二溴丁烷、1,6-二溴己烷、溴乙烷等為主要原料,合成出了一系列聯(lián)結基長度不同的新型兩性甜菜堿型Gemini表面活性劑(GSB12-N,N=2,4,6),并且對合成的產(chǎn)物及中間體進行了表征,確定了其分子結構。2、對合成的兩性雙子表面活性劑水溶液的表面性能進行了研究,發(fā)現(xiàn)該系列兩性雙子表面活性劑都具有良好的表面性能,隨著聯(lián)結基長度的增加,GSB12-N表面活性劑的γcmc先增加后減小,其中當聯(lián)結基-(CH2)n-中的n為6時,其γcmc達到最低值30.90mN/m,這是由于當聯(lián)結基長度達到一定值時,可以呈現(xiàn)出柔性,使得雙子表面活性劑分子內(nèi)的兩條單鏈靠近,進而提高表面性能。并且發(fā)現(xiàn)該系列表面活性劑具有良好的抗溫性及抗鹽性,且對反離子的抵抗能力順序為Na+Ca2+Mg2+。3、利用分子動力學法研究了該系列表面活性劑在氣/液界面的聚集行為,主要利用ATB、GAMESS(US)等工具對該系列表面活性劑的結構進行優(yōu)化計算,利用Gromacs來實現(xiàn)全部的分子動力學計算。結果發(fā)現(xiàn),在T=318K時,其SCD值整體比其他的SCD值大,總體呈現(xiàn)出隨著溫度的升高,SCD不斷地增大的規(guī)律,SCD的增大表明疏水尾鏈趨向于垂直界面排列,分子排列的更為緊密,隨著溫度的升高,表面活性劑分子的疏水尾鏈的構象會發(fā)生變化,在微觀層次上對GSB12系列表面活性劑的耐溫性進行了闡述。隨著NaCl濃度的增加,表面活性劑的雙電層厚度先減小后增加,親水基團占有面積也是先減小后增加,同時,SCD值也呈現(xiàn)出相同的規(guī)律,宏觀上表現(xiàn)出表面活性是先增加后減小的規(guī)律,發(fā)現(xiàn)的規(guī)律與實驗得到的規(guī)律一致,對表面活性劑與無機鹽的作用機理進行了闡述。
[Abstract]:The study of the structure-activity relationship of surfactants has been an active research field. Surface active agents with good temperature and salt resistance and biodegradability have become the research and development direction of daily chemistry. Based on the structural characteristics of amphoteric betaine type Gemini surfactants, a series of novel amphoteric betaine type Gemini surfactants with different binding lengths were designed and synthesized. The main results obtained are as follows: 1. The main raw materials are dodecylamine, sodium bromoethylsulfonate, sodium bromoethyl sulfonate, 1,4-dibromobutane, 1-dibromohexane, bromoethane, etc. A series of new amphoteric betaine type Gemini surfactants with different binding lengths were synthesized, and the synthesized products and intermediates were characterized. Its molecular structure was determined. The surface properties of the synthesized amphiphilic Gemini surfactants in aqueous solution were studied. It was found that the series of amphiphilic Gemini surfactants had good surface properties. With the increase of the binding group length, the 緯 cmc of GSB12-N surfactants first increases and then decreases. When n in the binding base is 6, its 緯 cmc reaches the minimum value of 30.90 mn / m, which is due to the flexibility when the binding base length reaches a certain value. The two single chains of Gemini surfactants are close to each other, thus improving the surface properties of Gemini surfactants. It was also found that the series of surfactants had good resistance to temperature and salt, and the order of resistance to counterions was Na Ca2 Mg2. 3. The aggregation behavior of the surfactants at the gas-liquid interface was studied by molecular dynamics. The structure of this series of surfactants was optimized by means of ATBX GAMESSU and Gromacs was used to calculate the molecular dynamics of the surfactants. The results show that the total SCD value of TX 318K is larger than that of other SCD values, and the increasing of SCD shows that the hydrophobic tail chains tend to perpendicular to the interface and the molecules are arranged more closely. With the increase of temperature, the conformation of hydrophobic tail chain of surfactant molecules will change. The temperature tolerance of GSB12 series surfactants is expounded at the micro level. With the increase of NaCl concentration, the double-layer thickness of surfactant decreases first and then increases, and the hydrophilic group occupied area decreases first and then increases. Macroscopically, the surface activity was increased first and then decreased, and the law found was consistent with that obtained by experiment. The mechanism of action of surfactant and inorganic salt was expounded.
【學位授予單位】：東北石油大學
【學位級別】：碩士
【學位授予年份】：2017
【分類號】：O647.2

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本文編號：1877590