• 作者： Tu, Chein-Hsiun; Maddox, Robert N.
• 中文摘要： 本研究是利用官能基貢獻(group contribution)方法來預測混合液體之熱容量,所建立的預測模式是基於Kehiaian的混合物液體所含基團表面間的相互作用理論,並利用 38種混合液體1823個實驗數據,共回歸出六對作用基團的最佳預測常數,再配合以預測模式,可用來預測由水、碳氫化合物及正烷基醇所混合而成液體的熱容量,而適用的溫度範圍則界於178K到383K之間,所得的結果用來估算15種未參與回歸的混合液體,其總共平均絕對偏差是0.836%。
• 英文摘要： A group-contribution method is presented for the prediction of heat capacities of nonelectrolyte liquid mixtures. This method combines Kehiaian's group-surface interaction concept with the model for heat capacity which is based on an extension of Guggenheim-Barker's rigid pseudo-lattice model of liquid mixtures. The resulting model is capable of predicting the heat capacity of multicomponent mixtures of polar and nonpolar molecules over a wide range of temperatures and concentrations. Using the predictive constants obtained from data reductions, the heat capacities of a large number binary mixtures can be predicted. This is demonstrated for thirty eight binary mixtures containing water, hydrocarbons, and n-alcohols over the temperature range 178 to 383 K. The results show that the proposed method is powerful and its application to systems other than those considered in this study is recommended.
• 中文關鍵字： 原子團; 官能基; 熱容量; 液體混合物
• 英文關鍵字： Atomic Group; Heat Capacity; Liquid Mixture