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Sequestration of light hydrocarbons in Ionic Liquids at high-pressures: Consistency and thermodynamic modeling
Fluid Phase Equilibria ( IF 2.6 ) Pub Date : 2021-06-24 , DOI: 10.1016/j.fluid.2021.113119
Pedro F. Arce , Edson M. Igarashi , Nian V. Freire , Dreidy M. Vásquez , Pedro A. Robles

Ionic liquids are applicable in the recovery of valuable products, remotion of polluting agents, and used in many CO2-capture techniques. In this work, high-pressure vapor-liquid equilibria of twenty-one binary mixtures of light hydrocarbons + IL has been modelled with Peng-Robinson/Stryjek-Vera equation of state applying Wong-Sandler mixing rules and van Laar model for the gamma-phi approach and Perturbed Chain-Statistical Associating Fluid Theory equation of state for the phi-phi approach. Critical properties were determined using a group contribution method. Adjustable characteristic pure component parameters were obtained using predicted vapor pressures and saturated liquids densities values. Experimental data, obtained from literature, were subjected to thermodynamic consistency area test. For the thermodynamic modelling, adjustable parameters were fitted between predicted and experimental bubble pressure. Van Laar and interaction parameters were regarded as temperature-dependent. Results obtained for both models, in terms of the main deviations between experimental and calculated pressures, were reasonably satisfactory.



中文翻译:

高压下离子液体中轻烃的封存:一致性和热力学模型

离子液体适用于有价值产品的回收、污染物的去除,并用于许多 CO 2- 捕获技术。在这项工作中,二十一种轻烃 + IL 的二元混合物的高压汽液平衡已使用 Peng-Robinson/Stryjek-Vera 状态方程建模,应用 Wong-Sandler 混合规则和范拉尔模型对伽马- phi 方法和扰动链统计关联流体理论 phi-phi 方法的状态方程。使用组贡献方法确定关键特性。使用预测的蒸气压和饱和液体密度值获得可调节的特征纯组分参数。从文献中获得的实验数据进行了热力学一致性区域测试。对于热力学建模,在预测和实验气泡压力之间拟合可调参数。范拉尔和相互作用参数被认为与温度有关。就实验压力和计算压力之间的主要偏差而言,两种模型获得的结果都相当令人满意。

更新日期:2021-06-29
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