博碩士論文 93324023 詳細資訊


姓名 吳玉珊(Yu-Shan Wu)  查詢紙本館藏   畢業系所 化學工程與材料工程學系
論文名稱 純有機物質閃火點預測模式
(Predictive model of flash point for pure organic substances)
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摘要(中) 有機化學品廣泛應用於各類的製造及生產程序中,此類物質多具有毒性、腐蝕性及可燃性等危害性,其中燃燒性質則是最為被關切的危害性,且對於有機物質燃燒性質的描述一般使用閃火點作為分類的參考指標。
本研究規劃使用2003年Albahri所提出之預測閃火點模式,並配合基團貢獻法,直接由物質所含之各官能基團進行閃火點預測,不需藉由其他的物化性質參數,便可方便求出其閃火點。在此研究中,所被預測的物質並不受限為何種種類或是何種相態,可方便運用在任何可燃性物質的閃火點預測。
預估結果顯示,運用此模式預測閃火點,其平均絕對相對誤差(AARE)為3.68%、最大絕對誤差百分比(MARE)為14.97%、平均絕對誤差(AAE)為12.04 K、最大絕對誤差(MAE)為55.11 K,其結果皆優於其它的閃火點預測模式。本預測模式具有使用方便、預測範圍廣大等優點,是預測閃火點時不錯的預測工具。
摘要(英) Organic substances are used in manufacture processes widely. These substances have many hazardous characters, including toxicity, corrosion, and flammability or combustibility. The flammability has the most concern. Furthermore, flash point is usually used as a flammable index for describing flammability of substances.
A predictive model of flash point for organic substances based on the group contribution method is proposed in the study. User can use this model by the groups involving in substance molecule to calculate the flash point without other properties. And building up the predictive model without any restriction is the target of this study.
關鍵字(中) ★ 閃火點
★ 基團貢獻法
★ 預測模式
關鍵字(英) ★ group contribution method
★ predictive model
★ flash point
論文目次 中文摘要 Ⅰ
英文摘要 Ⅱ
目錄 Ⅲ
表目錄 Ⅳ
圖目錄 Ⅴ
符號說明 Ⅵ
第一章 緒論
1.1 前言 1
1.2 研究動機與目的 1
1.3 閃火點 2
1.4 閃火點實際量測方式 2
第二章 文獻回顧 4
第三章 研究方法
3.1基團貢獻法 8
3.2閃火點查詢資料庫 8
第四章 結果與討論 11
第五章 結論 32
參考文獻 33
附錄 36
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New York: Mc-Graw-Hill, (1980)
Babrauskas, V., Ignition Handbook, Fire Science Pblishers.
Constantinou, L. and Gani, R.,“New Group Contribution Method for
Estimating Properties of Pure Compounds,”AIChE Journal, 40 (1994) 1697-1709.
Hshieh, F. Y.,“Note: Correlation of Closed-Cup Flash Points with Normal Boiling Points for Silicone and General Organic Compounds,”
Fire and Materials, 21 (1997) 277-282.
Katritzky, A. R., Petrukhin, R. P., Jain, R. and Karelson, M.,“QSPR Analysis of Flash Points,”J. Chem. Inf. Comput. Sci., 41 (2001) 1521-1530.
Merrero, J. and Gani, R.,“Group-contribution based estimation of pure component properties,”Fluid Phase Equilibria, 183-184 (2001) 183-208.
Patil, G. S.,“Estimation of Flash Point,”Fire and Materials,12 (1988)
127-131.
Prugh, R. W.,“Estimation of Flash Point Temperature,”J. Chem. Educ.
50 (1973) A85-89.
Riazi, M. R. and Daubert, T. E.,“Predicting Flash and pour point,”
Hydrocarbon Processing, 56 (1987) 81-83.
Robinson, G.,“NFPA 325, Guide to Fire Hazard Properties of Flammable Liquid, Gases, and Volatile Solides,” National Fire Protection Association.
Satyanarayana, K. and Kakati, M. C.,“Correlation of flash point,”
Fire and Materials, 15 (1991) 97-100.
Suzuki, T., Ohtaguchi, K. and Koide, K.,“A method for estimating flash points of organic compounds from molecular structures,”J. Chem. Eng. Jpn. 24 (1991) 258-261.
Stefanis, E., Constantinou, L. and Panayiotou, C.,“A Group Contribution Method for Predicting Pure Component Properties of Biochemical and Safety Interest,”Ind. Eng. Chem. Res.,43 (2004) 6253-6261.
Tetteh, J., Suzuki, T., Metcalfe, E. and Howells, S.,“Quantitative Structure-Property Relationships for the Estimation of Boiling Point and Flash Point Using a Radial Basis Function Neural Network,”J. Chem. Inf. Comput. Sci., 39 (1999) 491-507.
Vidal, M., Rogers, W. J., Holste, J. C. and Mannan, M. S., “A Review of Estimation Methods for Flash Points and Flammability Limits,”Process Safety Progress, 23 (2004) 47-55.
Designation: D56-02a Standard Test Method for Flash Point by Tag Closed Cup Tester1.
Designation: D93-02a Standard Test Methods for Flash Point by Pensky-Martens Closed Cup Tester1.
指導教授 李亮三(Liang-Sun Lee) 審核日期 2006-6-28

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