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Estimation of Physical Constants of Biodiesel-Related Fatty Acid Alkyl Esters: Normal Boiling Point, Critical Temperature, Critical Pressure, and Acentric Factor
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2018-06-15 , DOI: 10.1021/acs.iecr.8b01310
Nathan S. Evangelista 1, 2 , Frederico R. do Carmo 2 , Hosiberto B. de Sant’Ana 2, 3
Affiliation  

A comprehensive study regarding the estimation of normal boiling points, critical temperatures, critical pressures, and acentric factors of biodiesel-related esters is presented. Such properties are crucial for simulations of chemical processes involving biodiesel. Although reliable experimental data are available for some esters, their determination for all the existing biodiesel components is an expensive and cumbersome task. In view of that, this work aimed to investigate the performance of group contribution and corresponding state models in the calculation of these properties. The estimation models were tested in terms of accuracy and of the plausibility of combining experimental and calculated values without violating the expected physical behavior for corresponding pairs of esters and for esters belonging to the same homologous series. The main outcome of this work is a recommendation of the most feasible models for engineering applications.

中文翻译:

与生物柴油有关的脂肪酸烷基酯的物理常数的估算:正常沸点,临界温度,临界压力和偏心因子

提出了有关正常沸点,临界温度,临界压力和生物柴油相关酯的偏心因子估计的综合研究。这些特性对于模拟涉及生物柴油的化学过程至关重要。尽管可以获得某些酯类的可靠实验数据,但是要确定所有现有生物柴油组分的酯类是一项昂贵且繁琐的任务。有鉴于此,这项工作旨在研究在这些属性的计算中小组贡献和相应状态模型的性能。在不违反相应的酯对和属于同一同源系列的酯的预期物理行为的前提下,对估计模型进行了测试,包括组合实验值和计算值的准确性和合理性。
更新日期:2018-06-16
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