Experimental investigation and thermodynamic modeling for isobaric heat capacity of ethanol at elevated temperatures and pressures

IF 3.1 2区 化学 Q2 CHEMISTRY, ANALYTICAL
Lingyan Gui , Jian Yang , Jiangtao Wu , Xianyang Meng
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Abstract

Ethanol is a promising sustainable fuel for its environmental friendliness and renewability. Due to the association effect in ethanol molecules, the particular behavior in isobaric heat capacity was explored by combining experimental and theoretical methods. Experimental isobaric heat capacity measurements of ethanol were performed over the temperature range from (298.15 to 573.15) K and at pressures up to 15 MPa in both liquid and vapor phases by a flow calorimeter. Different association schemes were combined respectively with PC-SAFT equation of state and SAFT-VR Mie equation of state to compare their accuracy in isobaric heat capacity prediction, and it could be concluded that two-site (2B) model was better than three-site (3B) model. It was also found that PC-SAFT equation of state was able to yield good results in predicting the isobaric heat capacity far from the saturated state and critical region, however, SAFT-VR Mie equation of state showed better prediction performance near the saturated state and critical region.

高温高压下乙醇等压热容的实验研究和热力学建模
乙醇具有环境友好性和可再生性,是一种前景广阔的可持续燃料。由于乙醇分子中的关联效应,研究人员结合实验和理论方法探索了乙醇等压热容的特殊行为。使用流动热量计对乙醇进行了等压热容量实验测量,测量温度范围为 298.15 至 573.15 K,测量压力为 15 MPa,测量条件包括液相和气相。将不同的关联方案分别与 PC-SAFT 状态方程和 SAFT-VR Mie 状态方程相结合,比较了它们在等压热容预测中的准确性,得出的结论是双位点(2B)模型优于三位点(3B)模型。研究还发现,PC-SAFT 状态方程在预测远离饱和状态和临界区域的等压热容时能产生良好的结果,而 SAFT-VR Mie 状态方程在预测接近饱和状态和临界区域的等压热容时表现更好。
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来源期刊
Thermochimica Acta
Thermochimica Acta 化学-分析化学
CiteScore
6.50
自引率
8.60%
发文量
210
审稿时长
40 days
期刊介绍: Thermochimica Acta publishes original research contributions covering all aspects of thermoanalytical and calorimetric methods and their application to experimental chemistry, physics, biology and engineering. The journal aims to span the whole range from fundamental research to practical application. The journal focuses on the research that advances physical and analytical science of thermal phenomena. Therefore, the manuscripts are expected to provide important insights into the thermal phenomena studied or to propose significant improvements of analytical or computational techniques employed in thermal studies. Manuscripts that report the results of routine thermal measurements are not suitable for publication in Thermochimica Acta. The journal particularly welcomes papers from newly emerging areas as well as from the traditional strength areas: - New and improved instrumentation and methods - Thermal properties and behavior of materials - Kinetics of thermally stimulated processes
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