Application of the UNIFAC models for prediction and description of excess molar enthalpies for binary mixtures of n-propanol, acetic acid, n-propyl acetate, and water

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• 作者：Irina Letyanina^a ; ^b ; ^{irina-letyanina@mail.ru" class="auth_mail" title="E-mail the corresponding author} ; Nikita Tsvetov^a ; Alexander Toikka^a
• 关键词：Excess molar enthalpies ; Original UNIFAC ; Modified UNIFAC (Dortmund) ; n-Propanol ; Acetic acid ; n-Propyl acetate ; Water
• 刊名：Fluid Phase Equilibria
• 出版年：2016
• 出版时间：15 November 2016
• 年：2016
• 卷：427
• 期：Complete
• 页码：202-208
• 全文大小：470 K

文摘

In this paper the ability of the UNIFAC methods (original UNIFAC and modified UNIFAC (Dortmund)) to predict the excess molar enthalpies, H^E, is considered. The predicted and the obtained earlier experimental values of the excess molar enthalpies for 5 binary systems of n-propanol, acetic acid, n-propyl acetate, and water were compared. Since the both methods represent the H^E unsatisfactorily, new set of group interaction parameters of the UNIFAC (Dortmund) method for mentioned above compounds was evaluated.