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A new method for predicting the isobaric heat capacity of biodiesel-related esters based on the corresponding states principle
Fluid Phase Equilibria ( IF 2.8 ) Pub Date : 2020-10-01 , DOI: 10.1016/j.fluid.2020.112734
F.R. do Carmo , M.R.L. da Silva , A.A.A. Alves , N.S. Evangelista

Abstract In this work, a new model based on the three-parameter corresponding states principle (CSP) is proposed for estimating the isobaric heat capacity of biodiesel-related esters in the liquid state. This model is an updated version of that proposed by Poling-Prausnitz-O’Connell (2001). The model's parameters were fitted to 95 experimental heat capacity data of 5 biodiesel-related esters covering a temperature range from 270 K to 393 K. Then, 344 experimental data points of 25 esters in a slightly wider temperature interval (250 K–393 K) were used to test the model. The absolute average relative deviation obtained for the correlation and prediction datasets were 0.78% and 0.83%, respectively. The method proposed in this work was critically compared to the eight most consolidated models available in the literature for the same property (5 based on the group contribution concept and 3 based on the CSP). For all comparisons, we used a rigorous procedure that considered the accuracy and the physical consistency of the estimated values. In view of all criteria, we recommend the use of our model in future applications.

中文翻译:

基于对应态原理的生物柴油相关酯类等压热容预测新方法

摘要 在这项工作中,提出了一种基于三参数对应态原理 (CSP) 的新模型,用于估算液态生物柴油相关酯的等压热容。该模型是 Poling-Prausnitz-O'Connell (2001) 提出的模型的更新版本。该模型的参数拟合了 5 种生物柴油相关酯的 95 个实验热容量数据,覆盖了 270 K 到 393 K 的温度范围。然后,在稍宽的温度区间 (250 K-393 K) 中,25 种酯的 344 个实验数据点被用来测试模型。相关性和预测数据集的绝对平均相对偏差分别为 0.78% 和 0.83%。在这项工作中提出的方法与文献中可用的八个最统一的相同属性模型(5 个基于群体贡献概念,3 个基于 CSP)进行了严格的比较。对于所有比较,我们使用了严格的程序,该程序考虑了估计值的准确性和物理一致性。鉴于所有标准,我们建议在未来的应用中使用我们的模型。
更新日期:2020-10-01
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