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Measurement and prediction of thermophysical properties of binary mixtures of dicyclopentadiene with methylcyclohexane, toluene, and p-xylene
Thermochimica Acta ( IF 3.1 ) Pub Date : 2020-03-01 , DOI: 10.1016/j.tca.2020.178536
Ahmed Amin Touazi , Saéda Didaoui , Kamel Khimeche , Mokhtar Benziane

Abstract Flash point. density and viscosity of three binary mixtures containing dicyclopentadiene (DCPD) with methylcyclohexane, toluene and p-xylene were measured in the present work. The experimental data of flash points were compared with the values calculated by Le Chatelier modified equation. Activity coefficients were estimated by the UNIFAC, UNIFAC Dortmund and ASOG models. Also, excess molar volumes, viscosity deviation and excess Gibbs energy of activation of viscous flow were calculated from data of density and viscosity. Prigogine-Flory-Patterson theory was applied to predict V m E . Empirical models were used to predict the viscosity data. NRTL, UNIQUAC and Heil models were applied to calculate G*E. The findings have been employed to examine structural effects and molecular interactions which are dominant between compound molecules. The obtained experimental results showed weak molecular interactions and theory study demonstrated that UNIFAC, PFP, Eyring_NRTL, Lobe, and NRTL were the best models found to fit the flash point, excess molar volume, viscosity and excess free Gibbs energy.

中文翻译:

双环戊二烯与甲基环己烷、甲苯和对二甲苯二元混合物热物理性质的测量和预测

摘要闪点。在目前的工作中测量了含有双环戊二烯 (DCPD) 与甲基环己烷、甲苯和对二甲苯的三种二元混合物的密度和粘度。闪点的实验数据与Le Chatelier修正方程计算的值进行了比较。活动系数由 UNIFAC、UNIFAC Dortmund 和 ASOG 模型估计。此外,从密度和粘度数据计算了粘性流动的过量摩尔体积、粘度偏差和过量吉布斯活化能。Prigogine-Flory-Patterson 理论被应用于预测 V m E 。使用经验模型来预测粘度数据。应用 NRTL、UNIQUAC 和 Heil 模型来计算 G*E。这些发现已被用于检查在化合物分子之间占主导地位的结构效应和分子相互作用。
更新日期:2020-03-01
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