界面張力在化工的分離技術中是一個相當重要的物性，但不論是實驗數據或是計算模式在文獻中都少有探討，尤其是理論計算模式更是屈指可數。本研究對文獻上已發表的二成份及三成份系統的界面張力計算模式進行探討、比較並重新迴歸各模式中的經驗參數。
對於二成份系統我們利用D — B model、Fu-1986 model、Fu-1991 model、N — A model及LSER對116組系統進行計算，根據計算結果及各模式的特性，對於具有結構簡單有機物的二成份系統，我們建議利用N — A model進行界面張力估算，至於N — A model中所需用之有機物表面張力，對於烷類、酸類及醇類分子而言，亦可利用文獻中的關聯公式估計之。而對於具有多官能基結構複雜有機物的二成份系統，在具有溶解度數據的情形下，利用D — B model進行界面張力估算是較佳的選擇；而在缺乏溶解度數據的情形下，則建議使用LSER model。
對於三成份二相系統，我們利用Modified D — B model、Fu-1986 model、Fu-1989 model及Gibbs — Langmuir model對60組系統進行計算，根據計算結果及各模式的特性，在具有三成份中難溶於水的有機溶劑與水的界面張力及溶解度數據的情形下，我們建議利用Fu-1989 model(k-2)進行三成份二相系統界面張力估算，而在缺乏此種數據的情形下，利用Fu-1986 model進行成份二相系統界面張力估算則是較佳的選擇。

Interfacial tension is an important property in separation process. However, neither experimental data nor theoretical models have been studied extensively in previous literatures. In this study, the comparison of calculation models for interfacial tension of binary and ternary aqueous systems are presented. New parameters for these models are obtained from regressing experimental data in literatures.
For binary aqueous systems, applicability of these models is tested with 116 systems. It is shown that the N — A model has the lowest deviation for homologous series of alcohols、alkanes and acids. For systems with complicated functional groups, the D — B model is recommended with known solubility data. On the other hand, LSER model is more suitable in the case no solubility data are available.
For ternary aqueous systems, the Fu-1989 model (k=2) is the most accurate method with available interfacial tension and solubility data for aqueous organic system. The Fu-1986 model, however, is recommended for the cases without such data.

中文摘要 Ⅰ
英文摘要 Ⅲ
目錄 Ⅳ
表目錄 Ⅶ
圖目錄 ⅩⅠ
第一章 緒論 1
1-1液-液相界面張力之重要性 1
1-2 界面張力之定義 2
1-3 研究目的 3
第二章 界面張力計算模式之理論基礎 5
2-1 吉布士方程式 5
2-1-1 表面過剩濃度 5
2-1-2 吉布士方程式的推導 6
2-2 附著功 9
2-3 界面張力計算模式的基本假設 9
2-3-1 擴散界面相 10
2-3-2 定組成界面相 11
2-3-3 劇變界面 13
2-4 Shain and Prausnitz（1964）的理論模式 14
第三章 計算模式 17
3-1 二成份系統 17
3-1-1 D — B Model 18
3-1-2 Fu-1986 Model 18
3-1-3 Fu-1991 Model 22
3-1-4 N — A Model 25
3-1-5 LSER 28
3-1-6 二成份系統界面張力計算模式的使用 29
3-2 三成份二相系統 31
3-2-1 Fu-1986 Model 31
3-2-2 Fu-1989 Model 31
3-2-3 Modified D — B Model 32
3-2-4 Gibbs — Langmuir Model 33
3-2-5二成份二相系統界面張力計算模式的使用 37
3-3 迴歸計算方式 38
第四章 計算結果 40
4-1 前言 40
4-2 二成份系統的計算結果 42
4-2-1 D — B Model的計算結果 42
4-2-2 Fu-1986 Model 與 Fu-1991 Model的計算
結果 43
4-2-3 N — A Model的計算結果 44
4-2-4 LSER的計算結果 45
4-2-5 計算結果之比較 45
4-3 三成份二相系統的計算結果與比較 48
4-4 N — A Model的探討 51
4-4-1 前言 51
4-4-2 有機物表面張力數據的探討 52
第五章 結論 55
5-1 二成份系統 55
5-2 三成份二相系統 56
符號說明 175
參考文獻 178
附錄 183

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