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High-Pressure Phase Behavior of CO2 + (C12/C14 n-Alkane and/or C8/C10 Carboxylic Acid and/or C12/C14 Methyl Ester) Systems
Journal of Chemical & Engineering Data ( IF 2.6 ) Pub Date : 2024-02-28 , DOI: 10.1021/acs.jced.3c00725
Susanna H. Du Plessis 1 , Cara E. Schwarz 1
Affiliation  

Twelve new ternary high-pressure bubble- and dew-point data sets for (n-carboxylic acid + n-alkane), (methyl ester + n-alkane), and (methyl ester + n-carboxylic acid) mixtures in carbon dioxide (CO2) are presented in this study. For these mixtures, (C8 and C10) n-carboxylic acids, (C12 and C14) methyl esters, and (C12 and C14) n-alkanes are considered. A liquid–liquid or liquid–liquid–vapor phase equilibria region was observed in the low solute fraction region for the 50 wt % n-tetradecane +50 wt % methyl myristate system, similar to the phase behavior observed for the CO2 + n-tetradecane binary which exhibits type III phase behavior. Additionally, both the n-alkane + (n-carboxylic acid or methyl ester) groups showed indications of enhanced mixture solubility in comparison to the comprising binaries, with the n-tetradecane + n-octanoic acid and n-tetradecane + methyl myristate mixtures presenting cosolvency at the experimental conditions considered. This is indicative of significant solute + solute interactions within these systems. In contrast the phase behavior of the n-carboxylic acid + methyl ester systems were essentially the average of the two comprising binaries, indicating that the phase behavior in these systems is not significantly affected by solute + solute interactions. Finally, the thermodynamic modeling of the data with the RK-ASPEN property method was considered, taking only solvent + solute binary interaction parameters (BIPs) into account. The solvent + solute BIPs were found to be sufficient to provide an adequate description of the experimental data, with the dew-point region generally being the best described region.

中文翻译:

CO2 +(C12/C14 正烷烃和/或 C8/C10 羧酸和/或 C12/C14 甲酯)体系的高压相行为

二氧化碳中(正羧酸 +烷烃)、(甲酯 +烷烃)和(甲酯 +羧酸)混合物的 12 个新三元高压气泡和露点数据集(本研究中提出了CO 2 )。对于这些混合物,考虑(C 8和C 10 )羧酸、(C 12和C 14 )甲酯和(C 12和C 14 )正烷烃。对于 50 wt% n -十四烷 +50 wt% 肉豆蔻酸甲酯系统,在低溶质分数区域观察到液-液或液-液-汽相平衡区,类似于 CO 2 + n -观察到的相行为十四烷二元,表现出 III 型相行为。此外,正烷烃+(羧酸或甲酯)基团与所含二元化合物相比显示出混合物溶解度增强的迹象,其中十四烷+辛酸和十四烷+肉豆蔻酸甲酯混合物呈现出在所考虑的实验条件下的共溶剂性。这表明这些系统内存在显着的溶质+溶质相互作用。相比之下,n-羧酸+甲酯系统的相行为基本上是两个包含二元化合物的平均值,表明这些系统中的相行为不受溶质+溶质相互作用的显着影响。最后,考虑使用 RK-ASPEN 属性方法对数据进行热力学建模,仅考虑溶剂 + 溶质二元相互作用参数 (BIP)。发现溶剂+溶质 BIP 足以提供实验数据的充分描述,露点区域通常是最好的描述区域。
更新日期:2024-02-29
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