Influence of molecular association on the solubility of methylxanthines in supercritical solvent CO2-methanol

被引：6
|
作者：
Golubev, V. A. [1 ]
Nikiforov, M. Yu. [1 ]
Alper, G. A. [1 ]
Oparin, R. D. [1 ]
机构：
[1] Russian Acad Sci, Krestov Inst Solut Chem, Ivanovo 153045, Russia
来源：
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B | 2016年 / 10卷 / 07期
关键词：
molecular association; solubility; supercritical fluid; methylxanthine; CARBON-DIOXIDE; MIXTURES; CAFFEINE; MODEL;
D O I：
10.1134/S1990793116070083
中图分类号：
O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号：
070203 ; 070304 ; 081704 ; 1406 ;
摘要：
Analysis of the experimental data on the solubility of methylxanthines (theophylline and theobromine) in supercritical (SC) solvent CO2-methanol at various concentrations of methanol within the framework of the ASL model (Associated Solution + Lattice) based on molecular association theory and the simple lattice model is presented. Hetero-association of methylxanthines with the molecules of methanol is studied by means of H-1 NMR spectroscopy at 313 K. The contribution of molecular association to the solubility of methylxanthines in the mixed SC solvent CO2-methanol is analyzed. It is shown that the presence of NH group in the molecule of methylxanthine, when passing from caffeine to theophylline or theobromine, leads to an increase of the contribution of the component related to molecular association to solubility.
引用
收藏
页码：1166 / 1170
页数：5
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