Computation of Isobaric Vapor-Liquid Equilibrium Data for Binary and Ternary Mixtures of Methanol, Water, and Ethanoic Acid from T, p, x, and HmE Measurements

Daming Gao, Hui Zhang, P. Lücking, Hong-Mei Sun, Jingyu Si, Dechun Zhu, H. Chen, Jianjun Shi
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引用次数: 4

Abstract

Vapor-liquid equilibrium (VLE) data for the strongly associated ternary system methanol + water + ethanoic acid and the three constituent binary systems have been determined by the total pressure-temperature-liquid-phase composition-molar excess enthalpy of mixing of the liquid phase ( , , , ) for the binary systems using a novel pump ebulliometer at 101.325 kPa. The vapor-phase compositions of these binary systems had been calculated from and based on the function of molar excess Gibbs energy through an indirect method. Moreover, the experimental , data are used to estimate nonrandom two-liquid (NRTL), Wilson, Margules, and van Laar model parameters, and these parameters in turn are used to calculate vapor-phase compositions. The activity coefficients of the solution were correlated with NRTL, Wilson, Margules, and van Laar models through fitting by least-squares method. The VLE data of the ternary system were well predicted from these binary interaction parameters of NRTL, Wilson, Margules, and van Laar model parameters without any additional adjustment to build the thermodynamic model of VLE for the ternary system and obtain the vapor-phase compositions and the calculated bubble points.
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从T, p, x和HmE测量计算甲醇,水和乙醇的二元和三元混合物的等压汽液平衡数据
在101.325 kPa下,采用新型泵浦式膨胀计测定了强关联三元体系甲醇+水+乙醇酸和三组分二元体系的气液平衡(VLE)数据,即二元体系的总压强-温度-液相组成-液相的摩尔过量混合焓(,,,)。通过间接方法,根据摩尔过量吉布斯能的函数计算了二元体系的气相组成。此外,实验数据用于估计非随机双液(NRTL), Wilson, Margules和van Laar模型参数,这些参数反过来用于计算气相组成。通过最小二乘法拟合,将溶液活度系数与NRTL、Wilson、Margules和van Laar模型进行相关性分析。利用NRTL、Wilson、Margules和van Laar模型参数的二元相互作用参数,可以很好地预测三元体系的VLE数据,无需任何额外的调整,即可建立三元体系的VLE热力学模型,并获得气相组成和计算气泡点。
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