本发明公开了一种结合计算筛选三元天然低共熔溶剂(Natural Deep Eutectic Solvents，NADESs)提取茶多酚的方法，所述方法通过量子化学计算，构建1022组三元NADESs分子模型，计算茶多酚溶质分子模型在每种NADES中的溶解能力(Solvent Power，SP)，筛选得到对茶多酚提取效率较高、低粘度的三元NADESs。制备筛选所得NADESs后，加入适量绿茶粉末恒温搅拌一段时间进行提取，离心得到茶多酚提取液，采取HPLC测定茶多酚含量。本发明采用量子化学计算与实验相结合的方法，在极大节省人力、物力的同时，筛选得到适用于茶多酚高效提取所用的NADESs，提取效率远高于传统溶剂。该方法提供了一种工艺简单、绿色环保、高效、低粘度三元NADESs提取茶多酚的方法。
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