臺灣博碩士論文加值系統

本研究為探討鹽效應在乙酸正丁酯－正丁醇－水三成份系統之影響，因此在 298.15K下，以乙酸正丁酯－正丁醇－水系統，分別在飽和氯化乙烯膽鹼與溴化乙烯膽鹼濃度下，進行液液平衡實驗，並以TTK-Wilson模式活性係數模式作理論模擬。發現含電解質平衡系統中，電解質使得水相及有機相中存在的作用力發生變化，氯化乙烯膽鹼與水的作用力較強，以TTK-Wilson模式活性係數模式作理論模擬結果與實驗的結果相符合。

The salt effect on ternary system of n-butyl acetate / n-butanol / water mixture was investigated. The molecular or ionic interaction in the water phase has been changed when the Liquid-Liquid Equilibria (LLE) has been achieved under the condition of which containing saturate Acetylcholine chloride or Acetylcholine bromide at 298.15K. The solvation of Acetylcholine chloride in water is better than Acetylcholine bromide. The simulation using TTK-Wilson activity coefficient model also presented. The mole fraction of each component in different phase of Liquid-Liquid Equilibria (LLE) experiments were in good agreement as the result of simulation using TTK-Wilson activity coefficient model.

中文摘要....................................... ................... .............................................................i
英文摘要………………………………………………………………………...……ii
誌謝…………………………………………………………………………….….… iii
目錄…………………………………………………………………………..…….....iv
表目錄………………………………………………………………………….…….vii
圖目錄……………………………………………………………………….........…viii
第一章：緒論 1
第二章：文獻回顧 2
2-1：熱力學基本性質 2
2-2：電解質溶液之分配平衡 3
2-3:活性係數(activity coefficient, )模式 4
2-4:液液平衡計算模式 5
2-4-1:Mock計算模式 6
2-4-2：Eubank和Barrufet計算模式 6
2-4-3: MHV2 計算模式 6
2-4-4: semiempirical thermodynamic計算模式 6
2-4-5: Yoshio計算模式 6
2-4-6: De Santis 計算模式 6
2-4-7:修正型NRTL計算模式 7
2-4-8: Chou計算模式 7
2-4-9:Tan與Aravinth計算模式 7
第三章：實驗 8
3-1：電解質溶液液液平衡實驗 8
3-1-1：實驗裝置 8
3-1-2：儀器設備 8
3-1-3：實驗藥品 9
3-1-4：實驗方法 9
3-1-5：分析方法 10
3-1-6：檢量線的製作 11
3-1-7：未知樣品分析 13
第四章：結果 15
4-1：實驗結果 15
4-1-1：三成份混合溶劑系統之液液平衡(不含電解質) 15
4-1-2：三成份混合溶劑系統之液液平衡(含飽和電解質) 18
4-2：理論模擬結果 24
4-2-1：三成份混合溶劑系統理論模擬液液平衡(不含電解質) 24
4-2-2：三成份混合溶劑系統理論模擬液液平衡(含飽和電解質) 27
第五章:相平衡計算 33
5-1 TK-Wilson活性係數模擬 33
5-2TTK-Wilson活性係數模擬 33
5-3 TTK-Wilson之Gibbs自由能與其二次微分方程式 34
5-4 Setschenow方程式 35
5-5 Extended Setschenow方程式 35
5-6 Modified Setschenow方程式 35
5-7 液液平衡計算方法 36
第六章：討論 37
6-1：分子間作用力 37
6-2：熱力學現象的解釋與計算 42
6-3：實驗結果與模擬結果的討論 47
6-3-1：實驗部分 47
6-3-2：模擬部分 52
第七章：結論 57
參考文獻 58
附錄一..........................................................................................................................62
附錄二..........................................................................................................................64
附錄三..........................................................................................................................67
符號說明......................................................................................................................68

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