New Group-Interaction Parameters of the UNIFAC Model: Aromatic Carboxyl Binaries

详细信息    查看全文

• 作者：Weiping Luo ; Qinbo Wang ; Liqun Fu ; Wei Deng ; Xiaoyong Zhang ; Cancheng Guo
• 刊名：Industrial & Engineering Chemistry Research
• 出版年：2011
• 出版时间：April 6, 2011
• 年：2011
• 卷：50
• 期：7
• 页码：4099-4105
• 全文大小：801K
• 年卷期：v.50,no.7(April 6, 2011)
• ISSN：1520-5045

文摘

The solubility of p-toluic acid (PTA) in acetic acid (HOAc) + water solvent mixtures was measured by a static method. The experimental temperature ranged from 303.2 to 363.2 K, and the mole fraction of acetic acid in the solvent mixtures ranged from 0.546 to 1.000. Together with the available solid鈭抣iquid equilibrium (SLE) data for ternary systems of terephthalic acid (TPA) + HOAc + H₂O and benzoic acid (BA) + HOAc + H₂O, the interaction parameters of the new UNIFAC group ArCOOH, defined as an aromatic group (Ar) plus an (aromatic) carboxyl group (COOH), with an aliphatic carboxyl group (COOH), methyl group (CH₃ and CH₂), aromatic group (Ar), aromatic methyl group (ArCH₃), and water are determined. By using the new defined group ArCOOH, the UNIFAC model predicted SLE data for the above three ternary systems agree with the experimentally determined results satisfactorily.