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Prediction of critical temperature, critical pressure and acentric factor of some ionic liquids using Patel-Teja equation of state based on genetic algorithm

机译:基于遗传算法的Patel-Teja状态方程预测某些离子液体的临界温度,临界压力和偏心因子

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摘要

Critical properties and acentric factor (omega) of 31 ionic liquids (ILs) were obtained by using vapor-liquid equilibrium data of solvent+IL consisting of P-T and P-x experimental data, based on three-parameter Patel-Teja equation of state and genetic algorithm. Optimized P (c) , T (c) and omega of ILs with Peng-Robinson equation of state (PR EoS) were used to model the behavior of phase equilibria of solvent+IL. Due to lack of experimental data for optimized properties, the validation was done by comparing them to the results in the literature. In each comparison the average absolute percent deviation (AAPD) for optimized properties was based on P-T experimental data, with PR EoS was minimum. For more confidence in the correctness of optimized properties, the behavior of phase equilibria of two new mixtures (i.e., water+emimDMP and methanol+emimDMP), the density and vapor pressure of some pure ILs were predicted by PR EoS, which the prediction of this EoS was satisfactory.
机译:基于三参数Patel-Teja状态方程和遗传算法,利用PT和Px实验数据组成的溶剂+ IL的气液平衡数据,获得了31种离子液体(IL)的临界特性和偏心因子(ω)。 。使用Peng-Robinson状态方程(PR EoS)优化的IL的P(c),T(c)和ω用于建模溶剂+ IL的相平衡行为。由于缺乏优化性能的实验数据,因此通过将其与文献中的结果进行比较来进行验证。在每个比较中,优化性能的平均绝对百分比偏差(AAPD)基于P-T实验数据,而PR EoS最小。为了对优化特性的正确性有更多的信心,使用PR EoS预测了两种新混合物(即水+ emimDMP和甲醇+ emimDMP)的相平衡行为,一些纯IL的密度和蒸气压,此EoS令人满意。

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