Thermodynamics of Isomers and Solubility Prediction in Multicomponent Sugar Solutions

IF 2.8 2区 化学 Q3 CHEMISTRY, PHYSICAL
Silvio Trespi, Shina Roshanfekr and Marco Mazzotti*, 
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引用次数: 0

Abstract

A rigorous thermodynamic modeling framework for a system of isomers in chemical equilibrium is developed and applied to the lactose-water system. Through the knowledge of the water activity and of the liquid phase composition, thermodynamically consistent expressions for the activity coefficients of lactose isomers have been derived and used in the context of solid–liquid equilibria to predict the dependence of the saturation concentration of α-lactose on the dissolved β-lactose concentration. We also developed a comprehensive first-principles model that accurately describes the dissolution dynamics of α-lactose monohydrate. The data support the hypothesis that the sugar activity coefficients are a stronger function of the total sugar content rather than of the sugar solution composition. The activity coefficient expressions have been used to quantitatively predict the effect of glucose, galactose, and sucrose on the solubility of α-lactose monohydrate.

多组分糖溶液中异构体的热力学及溶解度预测
建立了一个严格的化学平衡异构体系的热力学建模框架,并将其应用于乳糖-水体系。通过对水活度和液相组成的了解,导出了乳糖异构体活度系数的热力学一致表达式,并在固液平衡的背景下用于预测α-乳糖的饱和浓度对溶解β-乳糖浓度的依赖。我们还建立了一个全面的第一性原理模型,准确地描述了α-乳糖一水化合物的溶解动力学。这些数据支持了糖活性系数是总糖含量而不是糖溶液组成的更强函数的假设。利用活度系数表达式定量预测了葡萄糖、半乳糖和蔗糖对α-乳糖一水合物溶解度的影响。
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来源期刊
CiteScore
5.80
自引率
9.10%
发文量
965
审稿时长
1.6 months
期刊介绍: An essential criterion for acceptance of research articles in the journal is that they provide new physical insight. Please refer to the New Physical Insights virtual issue on what constitutes new physical insight. Manuscripts that are essentially reporting data or applications of data are, in general, not suitable for publication in JPC B.
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