Mozaffari Parsa, Baird Zachariah Steven, Järvik Oliver
Department of Energy Technology, School of Engineering, Tallinn University of Technology, Ehitajate tee 5, 19086 Tallinn, Estonia.
Materials (Basel). 2022 Jun 14;15(12):4221. doi: 10.3390/ma15124221.
Equations of state are powerful tools for modeling thermophysical properties; however, so far, these have not been developed for shale oil due to a lack of experimental data. Recently, new experimental data were published on the properties of Kukersite shale oil, and here we present a method for modeling the properties of the gasoline fraction of shale oil using the PC-SAFT equation of state. First, using measured property data, correlations were developed to estimate the composition of narrow-boiling-range Kukersite shale gasoline samples based on the boiling point and density. These correlations, along with several PC-SAFT equations of the states of various classes of compounds, were used to predict the PC-SAFT parameters of aromatic compounds present in unconventional oil-containing oxygen compounds with average boiling points up to 180 °C. Developed PC-SAFT equations of state were applied to calculate the temperature-dependent properties (vapor pressure and density) of shale gasoline. The root mean square percentage error of the residuals was 13.2%. The average absolute relative deviation percentages for all vapor pressure and density data were 16.9 and 1.6%, respectively. The utility of this model was shown by predicting the vapor pressure of various portions of the shale gasoline. The validity of this model could be assessed for oil fractions from different deposits. However, the procedure used here to model shale oil gasoline could also be used as an example to derive and develop similar models for oil samples with different origins.
状态方程是模拟热物理性质的有力工具；然而，由于缺乏实验数据，目前尚未针对页岩油开发出此类方程。最近，有关库克油页岩油性质的新实验数据已发表，在此我们提出一种使用PC-SAFT状态方程来模拟页岩油汽油馏分性质的方法。首先，利用实测性质数据建立了相关性，以根据沸点和密度估算窄沸程库克油页岩汽油样品的组成。这些相关性，连同各类化合物的几个PC-SAFT状态方程，被用于预测平均沸点高达180℃的含非常规油的含氧化合物中存在的芳烃化合物的PC-SAFT参数。所建立的PC-SAFT状态方程被应用于计算页岩汽油随温度变化的性质（蒸气压和密度）。残差的均方根百分比误差为13.2%。所有蒸气压和密度数据的平均绝对相对偏差百分比分别为16.9%和1.6%。通过预测页岩汽油不同馏分的蒸气压展示了该模型的实用性。该模型的有效性可针对来自不同矿床的油馏分进行评估。然而，此处用于模拟页岩油汽油的程序也可作为一个示例，用于推导和开发针对不同来源油样的类似模型。
