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研究目的:建立可预测天然产物萃取分配比的理论模型与分析程序,以指导萃取溶剂、分离方案的选择和工艺的设计。具体方法:以丹参水溶性成分及银杏叶提取物中活性成分为例,采用UNIFAC基团贡献法计算这些天然活性成分的活度系数,在此基础上,进行这些成分在常用萃取剂中的液液平衡模拟计算。结果和讨论:计算所得的相对关系与实际情况相吻合,但计算的分配比与实际数值在量级上有较大差异。
OBJECTIVE: To establish a theoretical model and analysis program that predicts the extraction and distribution ratio of natural products, to guide the extraction solvent, the selection of the separation scheme and the design of the process. Specific methods: the water-soluble ingredients of Salvia miltiorrhiza and the active ingredients of the extract of Ginkgo biloba as an example, using UNIFAC group contribution method to calculate the activity coefficient of these natural active ingredients, on this basis, these ingredients in the commonly used extractant solution Liquid equilibrium simulation calculation. Results and Discussion: The calculated relative relationship is consistent with the actual situation, but the calculated distribution ratio and the actual value are quite different in magnitude.