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題名 | A Prediction Algorithm for Homogeneous and Heterogeneous Azeotropes by Parameter-free Models=以無參數模式預估均相及非均相共沸混合物的共沸組成與溫度的預測演算與軟體 |
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作者姓名(中文) | 林慶峰; 李亮三; | 書刊名 | Journal of the Chinese Institute of Chemical Engineers |
卷期 | 30:5 1999.09[民88.09] |
頁次 | 頁363-373 |
分類號 | 460.026 |
關鍵詞 | 無參數模式; 均相; 非均相; 共沸混合物; 共沸組成; 溫度預測; Prediction; Azeotropic mixture; Parameter-free model; |
語文 | 英文(English) |
中文摘要 | 混合物是否共沸在蒸餾分離程序中是必須先知道的熱力學性質。混合物為共沸時 ,蒸餾程序的設計就不同於非共沸混合物。而共沸混合物是均相或非均相時對蒸餾塔的設計 、控制、及操作的考慮又不相同。 本論文繼續延伸 Lee 等( 1996 )預估雙成份均相共沸混合物性質的演算法至預估雙成份 與三成份均相或非均相共沸混合物的組成與溫度。在數學技巧解此極非線性的問題時,除了 仍運用原來的擬弧長連續法( pseudo-arclength continuation )及同倫法( homotopy )觀念外,我們仍舊運用甚普遍的牛頓法( Newton's Method )。 我們對液相活性係數的 估算仍採用 Scatchard-Hildebrand, Ash-Wilson, Vetere-NRTL,及 UNIFAC 四種不需參數 的模式。由計算結果觀察到 UNIFAC 仍是最適用的模式。由文獻上60種雙成份混合物預測 計算的結果得到平均絕對誤差( AAD )值對共沸溫度為 0.88 ℃,共沸組成為 0.0219。本 研究也發現在 Horsley ( 1973 )的共沸混合物數據資料庫中有些雙成份及三成份共沸混 合物並不是均相共沸物。此對蒸餾塔實際設計、操作、及控制上極有意義。本論文亦提供此 演算軟體的結構流程極副程式的簡單說明以增加了解。 |
英文摘要 | In this study, an algorithm extended from Lee et al. (1996) was proposed and a software program was developed for determining the possible homogeneous and heterogeneous azeotropes of binary and ternary mixtures. The mathematical techniques of Newton-Raphson, and pseudo-arclength continuation and the concept of homotopy were used to accomplish the mathematical computations. The present study observed that the UNIFAC model is most suitable for predicting azeotropic temperature and composition among four tested models. The average absolute deviations (AAD) of azeotropic temperature and composition for 60 binary mixtures given by Horsley (1973) were 0.88 ℃ and 0.0219, respectively by the UNIFAC model. It is interesting to observe that many homogeneous azeotropes in Horsley data book (1973) appeared to be heterogeneous in this study. In addition to the computation results, the flow diagram and description of this computer program were given in Appendix. |
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