The industrial processing of sugars and sugar-containing mixtures is gaining widespread use as a form of renewable manufacturing from biomass. To aid in process modeling for design and optimization, a commonly available thermodynamic model is needed that describes the phase equilibrium of these compounds. This work compiles and compares models for solid–liquid and vapor–liquid phase equilibrium from the available data for the representative sugars glucose, fructose, and sucrose in the representative solvents water, methanol, and ethanol, including data for multisugar, multisolvent systems. The nonrandom two-liquid (NRTL) model was chosen for these systems because of its widespread use in industry and the availability of parameters for many solvents and cosolutes. The association-NRTL (aNRTL) model was investigated as an improvement for modeling sugars, which may experience a high degree of association because of their many hydroxy groups. Both models accurately capture the data and are able to predict the behavior of multisugar systems with only solute–solvent interaction parameters. The aNRTL model shows an improvement over the baseline NRTL model that is most significant for sucrose, the component with the highest association strength, and least significant for fructose, which has the lowest association strength.

中文翻译：

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模拟常见糖类葡萄糖、果糖和蔗糖在混合溶剂中的相平衡

糖和含糖混合物的工业加工作为一种生物质可再生制造形式得到了广泛应用。为了帮助设计和优化过程建模，需要一个常用的热力学模型来描述这些化合物的相平衡。这项工作根据代表性糖类葡萄糖、果糖和蔗糖在代表性溶剂水、甲醇和乙醇中的可用数据，包括多糖、多溶剂系统的数据，编译并比较了固-液和汽-液相平衡模型。为这些系统选择非随机双液体 (NRTL) 模型是因为它在工业中的广泛使用以及许多溶剂和共溶质的参数的可用性。研究了关联 NRTL (aNRTL) 模型作为对糖建模的改进，由于糖具有许多羟基，糖可能会经历高度关联。两种模型都能准确捕获数据，并且能够仅使用溶质-溶剂相互作用参数来预测多糖系统的行为。aNRTL 模型显示了对基线 NRTL 模型的改进，该模型对于具有最高关联强度的组分蔗糖最显着，而对于具有最低关联强度的果糖最不显着。