Multiphase equilibria modeling with GCA-EOS. Part III: CO2 with the homologous series of carboxylic acids

IF 3.4 3区工程技术 Q2 CHEMISTRY, PHYSICAL

Journal of Supercritical Fluids Pub Date : 2024-12-05 DOI:10.1016/j.supflu.2024.106489

Jacqueline Mansano Ortega, Vladimir Ferreira Cabral, Francisco Adrián Sánchez

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引用次数: 0

Abstract

Knowledge of phase equilibria and critical properties of CO2 + carboxylic acid systems is essential for supercritical fluid extraction (SCFE) processes, such as oil deacidification. However, modeling these systems is challenging due to their highly asymmetrical behavior. In this study, we apply the Group Contribution with Association Equation of State (GCA-EOS) to model vapor−liquid and liquid−liquid equilibria of the homologous series of CO2 + carboxylic acids. The GCA-EOS, previously validated for alkanes and alcohols, is extended to cover short and long-chain carboxylic acids. Using a single set of parameters, we validate the model against experimental data for C2−C20 acids, temperatures from 293 K to 473 K, and pressures up to 400 bar. The model successfully predicts phase equilibria across the entire homologous series, making it a reliable tool for assessing the multiphase behavior of these systems in SCFE applications.

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了解二氧化碳+羧酸体系的相平衡和临界特性对于超临界流体萃取（SCFE）工艺（如石油脱酸）至关重要。然而，由于这些体系的行为极不对称，对其建模极具挑战性。在本研究中，我们应用了关联状态方程（GCA-EOS）来模拟 CO2 + 羧酸同源系列的汽液和液液平衡。GCA-EOS 先前已在烷烃和醇类中得到验证，现扩展到短链和长链羧酸。我们使用一组参数，根据 C2-C20 酸的实验数据、293 K 至 473 K 的温度和高达 400 bar 的压力对模型进行了验证。该模型成功预测了整个同源系列的相平衡，使其成为评估 SCFE 应用中这些体系多相行为的可靠工具。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of Supercritical Fluids 工程技术-工程：化工

CiteScore

7.60

自引率

10.30%

发文量

236

审稿时长

56 days

期刊介绍： The Journal of Supercritical Fluids is an international journal devoted to the fundamental and applied aspects of supercritical fluids and processes. Its aim is to provide a focused platform for academic and industrial researchers to report their findings and to have ready access to the advances in this rapidly growing field. Its coverage is multidisciplinary and includes both basic and applied topics. Thermodynamics and phase equilibria, reaction kinetics and rate processes, thermal and transport properties, and all topics related to processing such as separations (extraction, fractionation, purification, chromatography) nucleation and impregnation are within the scope. Accounts of specific engineering applications such as those encountered in food, fuel, natural products, minerals, pharmaceuticals and polymer industries are included. Topics related to high pressure equipment design, analytical techniques, sensors, and process control methodologies are also within the scope of the journal.