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Solid–Liquid Equilibria of Binary Systems Containing Amines: Experimental Data and Prediction with DISQUAC and UNIFAC Models
International Journal of Thermophysics ( IF 2.2 ) Pub Date : 2021-01-22 , DOI: 10.1007/s10765-020-02789-3
Fayrouz Djellouli , Abdallah Dahmani , Aicha Hassani

Group contribution models can be used to predict the thermodynamic properties. The basic data used to determine the interaction parameters are VLE, HE and infinite dilution activity coefficient data. However in the absence of the required data, SLE measurements of eutectic systems are of great interest for fitting interaction parameters of group contribution methods. The knowledge of solid–liquid equilibria (SLE) of binary mixtures is essential for the design and development of separation process involving crystallization. In the present study, experimental SLE of binary mixtures containing N,N-dimethylaniline, diethylamine, cyclohexylamine, n-alkanes, and cyclohexane were measured by a static method of direct thermal analysis, using an apparatus derived from that of Smit. The experimental data obtained with this technique are compared with those predicted by Group contribution models: Mod. UNIFAC (Do) and DISQUAC models. The liquid-phase activity coefficients were also calculated. The experimental results illustrated that these systems showed a eutectic behavior, and a good agreement is obtained between experimental and predicted SLE. The use of the new c-CHNH2 group instead of the CHNH2 group in the modified UNIFAC Dortmund model showed excellent results.



中文翻译:

含胺的二元体系的固液平衡:实验数据和DISQUAC和UNIFAC模型的预测

组贡献模型可用于预测热力学性质。用于确定相互作用参数的基本数据是VLE,H E和无限稀释活度系数数据。但是,在缺少所需数据的情况下,共晶系统的SLE测量对于拟合组贡献方法的交互参数非常感兴趣。二元混合物的固液平衡(SLE)知识对于涉及结晶的分离过程的设计和开发至关重要。在本研究中,含NN-二甲基苯胺,二乙胺,环己胺,n的二元混合物的实验SLE使用衍生自Smit的设备的直接热分析的静态方法测量β-烷烃和环己烷。将用该技术获得的实验数据与通过组贡献模型预测的数据进行比较。UNIFAC(Do)和DISQUAC模型。还计算了液相活度系数。实验结果表明,这些系统表现出共晶行为,并且在实验性和预测性SLE之间获得了良好的一致性。在改良的UNIFAC多特蒙德模型中使用新的c-CHNH 2基团代替CHNH 2基团显示了极好的结果。

更新日期:2021-01-22
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