Thermodynamic Modeling of Mixtures Containing Carboxylic Acids Using the PC-SAFT Equation of State

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• 作者：Chen Yushu ; Attia Afef ; Mutelet Fabrice ; Solimando Roland ; Mohamed Razzak Jeday
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2012
• 出版时间：October 24, 2012
• 年：2012
• 卷：51
• 期：42
• 页码：13846-13852
• 全文大小：364K
• 年卷期：v.51,no.42(October 24, 2012)
• ISSN：1520-5045

文摘

The aim of this work is to investigate whether the PC-SAFT (pertubed chain-statistical associating fluid theory) equation of state can describe the vapor鈥搇iquid equilibria for carboxylic acid-containing systems. Carboxylic acids, unlike many other associating compounds, have a strong tendency to dimerize in the vapor phase at normal conditions resulting in strong nonideal behavior at low pressures. In this work, we will focus on five binary systems {water + acetic acid}, {water + propionic acid}, {water + acrylic acid}, {acetic acid + propionic acid}, and {acetic acid + acrylic acid} due to their importance for chemical industries. The study was performed in a systematic method: first, the PC-SAFT equation has been applied to the pure carboxylic acid in order to determine the pure molecular parameters and then to the binary system. In this case, the interaction parameter k_ij was determined using liquid鈥搗apor equilibria data. This work shows that the PC-SAFT equation of state is able to represent the pure carboxylic acid as well as mixtures containing carboxylic acid.