• 作者： Tu, Chein-Hsiun; Lay, Yea-Yunn
• 中文摘要： 本研究已成功的應用基團貢獻方法建立了預測有機化合物液體密度模式,其中利用938種有機化合物液體密度的2947個實驗數據,共迪歸出49種基團的最佳預測常數,再配合以預測模式,估算945種有機化合物3045個液體的密度,所得的總共平均絕對偏差是0.97%。本方法很容易使用,只須知道化合物的分子量及各基團的數目,而不須要借助任何其他物性參數便可以準確的預測有機化合物液體的密度。
• 英文摘要： A group contribution method has been developed for predicting the density of organic liquids. Predictive values for 49 organic groups were derived from 2,917 experimental liquid density data on 938 organic compounds. The various group values were presented as cubic polynomial expressions and can be used to estimate the density of organic liquids at normal pressure. In this research, 3,045 data points on 945 organic compounds were examined by using the proposed method; the average absolute deviation between the predicted and the observed values were found to be 0.97%. The proposed method is completely generalized and fairly easy to use. The input constants required are the group numbers and the molecular weight of that compound. No other physical properties are needed in using this predictive method.
• 中文關鍵字： 基團頁獻; 液體密度; 預測; 有機化合物
• 英文關鍵字： Group Contribution; Liquid Density; Prediction; Organic Compound