• 作者： Tu, Chein-Hsiun; Wu, Yuh-Shen
• 中文摘要： 本研究建立一個只須知道分子結構的計算有機化合物正常凝固點的方法。利用所提的方法用來計算1,310個有機合物的正常凝固點,所得到的結果與實驗數據比較得到的平均絕對的百分偏差為8.2%。本方法不需其他物性資料,也與 Joback所提的凝固點計算方法比較。
• 英文摘要： A correlation method based on the group contribution concept was developed to calculate normal freezing points by using only the structural information. With this method, normal freezing points have been calculated for 1,310 organic compounds, and when compared with experimental data, this method produced an average absolute percent error of 8.2%. No other physical properties are needed in using this predictive method. A comparison with the method of Joback is also presented.
• 中文關鍵字： 基團貢獻; 凝固點; 有機物; 分子結構
• 英文關鍵字： Group Contribution; Freezing Point; Organic Compound; Molecule Structure