臺灣博碩士論文加值系統

本論文主要目的在於鹽效應在部分互溶丁醇+水系統液液平衡之研究。為了模擬混合溶劑在液液平衡時之
鹽效應，利用本實驗室所提之 Setschenow修正方程式來描述水相中水對於鹽濃度之活性關係。除此之外，
也利用TTK-Wilson活性係數模式來描述兩液相之非理想性。因此，根據熱力學平衡準則，利用兩相中不含
鹽之每一成分活性相等並配合Setschenow修正方程式來計算水相之組成，此方法中僅須兩個可調參數，在
計算13組電解質混合溶劑系統之液液平衡時，可發現模擬結果與實驗數據相當吻合。其平均偏差介於0.002
至0.004之間。

The objective of this study is to investigate salt effect on liquid-liquid equilibria (LLE) for partially miscible butyl alcohols + water systems. To simulate the salt effects on LLE of the mixed solvent systems, a modified Setschenow equation (Tsai, 2000) was adopted to describe the relation of the activity of water to salt concentration in aqueous phase. Besides, a TTK-Wilson activity coefficient model (Shiah et al., 2000) was used to represent the non-ideality in both liquid phases. Therefore, based on thermodynamic equilibrium criterion that the activity of each component, not include salt, must be the same in the two phases and the modified Setschenow equation, we can reproduce the salt effects on LLE of binary mixed solvent systems. Two adjustable parameters were needed in this method. It was found that the correlation results were in good agreement with 13 sets of experimental LLE data. The mean deviation range was from 0.002 to 0.004.

摘要………………………………………………………………… I
Abstract………………………………………………………………II
誌謝…………………………………………………………………III
目錄…………………………………………………………………IV
圖表索引……………………………………………………………VI
正文
第一章緒論……………………………………………… 1
第二章電解質混和溶液之熱力學基本性質…………… 3
2.1電解質溶液之濃度單位…………………………………3
2.1.1重量莫耳濃度…………………………………………3
2.1.2莫耳分率…….…………………………………………3
2.2 熱力學基本性質……………………………… 4
2.2.1逸壓………………………………………………………4
2.2.2活性與活性係數…………………………………………4
2.2.3相平衡觀念………………………………………………5
第三章文獻回顧…………………………………………… 7
3.1 電解質溶液之分配平衡...………………………………… 7
3.2活性係數模式………………………………………………8
3.3 液液平衡計算………………………………………………12
第四章理論模擬…………………………………………… 17
4.1 TK-Wilson活性係數模式………………………………… 17
4.2 TTK-Wilson活性係數模式………………………………18
4.2.1 參數 與 ……………………………… 19
4.2.2 參數 與 ………………………………20
4.2.3 TTK-Wilson之Gibbs自由能與其二次微分…….…...............22
4.3 Setschenow方程式…………………..………………….……23
4.3.1 Setschenow方程式…………………………………….. .23
4.3.2 Setschenow推廣方程式……………………………..….24
4.3.3 Setschenow修正方程式……………………………..….25
4.4 液液平衡計算方法…………………………………………..26
4.5 結果與討論…………………………………………………..26
第五章結論………………………………………………………….90
參考文獻……………………………………………………….……..92
符號說明……………………………………………………….……..97
作者簡介………………………………………………………………99

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