离子液体
化学
溶解度
咖啡因
水溶液
粘度
物理化学
无机化学
分析化学(期刊)
有机化学
热力学
医学
物理
内分泌学
催化作用
作者
Teona Teodora Borović,Jovana Panić,Ivona R. Radović,Nikola Grozdanić,Milan Vraneš
标识
DOI:10.1016/j.molliq.2024.124058
摘要
In this study, a detailed physicochemical characterization of caffeine in 0.1 mol∙kg−1 of 1-butyl-3-methylimidazolium salicylate (abbreviation [Bmim][Sal]) aqueous solutions is performed based on density, speed of sound, refractive index and viscosity measurements in the temperature range from T = (293.15–313.15) K. [Bmim][Sal] slightly increases the solubility of caffeine in water. Data obtained from the volumetric and viscosimetric measurements indicate that [Bmim][Sal] promotes the self-aggregation of caffeine in water. Molecular dynamic simulations provided insight into how [Bmim][Sal] increases caffeine solubility in water. At higher temperatures, the salicylate anion has stronger interactions with caffeine through π–π interactions than at lower temperatures.
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