非随机双液模型
化学
癸酸
三元运算
薄荷醇
共晶体系
百里香酚
吉布斯自由能
三元数制
UNIFAC公司
联络线
色谱法
热力学
有机化学
活度系数
水溶液
相(物质)
合金
物理
程序设计语言
功率(物理)
精油
电力系统
计算机科学
作者
Hyun Jong Choe,Kwang Ho Song
标识
DOI:10.1021/acs.jced.2c00737
摘要
Herein, liquid–liquid equilibria (LLE) were investigated for pseudo-ternary systems comprising water + 1-hydroxypropan-2-one + cyclic terpene-based mixtures at 298.15 K and 0.1 MPa. Menthol/levulinic acid-, menthol/dodecanoic acid-, menthol/thymol-, thymol/decanoic acid-, thymol/10-undecenoic acid-, and menthol/decanoic acid-based mixtures were prepared in 1:2, 2:1, 1:1, 1:1, 1:1, and 1:1 molar ratios, respectively, which are type V deep eutectic solvents (DESs). The pseudo-ternary system separation factors were determined. When decanoic acid was used as a hydrogen bond donor, the menthol-based DES exhibited a higher separation factor than the thymol-based DES. Among the pseudo-ternary systems, menthol- and decanoic-acid-based DESs exhibited the highest separation factor. A non-random two-liquid (NRTL) model was used to regress the LLE data. The Gibbs-energy-of-mixing (GM/RT) surface was topologically analyzed to determine the tie line consistency. The experimentally measured and NRTL-modeled tie lines were tangential to the GM/RT surface curve, indicating that the minimum Gibbs free energy of mixing was satisfied at equilibrium points.
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