Abstract A strategy for rationally selecting solvent systems of spherical agglomeration is proposed for the first time. It emphasizes that followed by crystallization and phase separation, spherical agglomeration can be achieved only when the solvent system can induce wetting and adhesion which are estimated by the Lifshitz-van der Waals acid-base approach. Especially for wettability of bridging liquid, solvent and anti-solvent, the strategy indicates that it is of great importance for a successful solvent system. Valid systems therefore are selected in the first place while invalid ones are removed effectively according to the wettability difference. Based on the strategy, valid solvent systems for cefotaxime sodium and benzoic acid spherical agglomeration were selected successfully from 720 and 2184 systems respectively without missing the reported systems. The strategy also predicted no valid systems for potassium chloride, maltitol and trisodium phosphate in the given solvent combinations, which agreed with the experiment results.

中文翻译：

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通过 Lifshitz-van der Waals 酸碱方法选择用于球形团聚的溶剂系统的策略

摘要 首次提出了合理选择球团聚溶剂体系的策略。它强调，在结晶和相分离之后，只有当溶剂系统可以诱导润湿和粘附时，才能实现球形团聚，这通过 Lifshitz-van der Waals 酸碱方法估计。特别是对于桥接液、溶剂和反溶剂的润湿性，该策略表明它对于成功的溶剂系统非常重要。因此，首先选择有效系统，而根据润湿性差异有效去除无效系统。根据战略，分别从720和2184个体系中成功筛选出头孢噻肟钠和苯甲酸球团聚的有效溶剂体系，没有遗漏报道的体系。该策略还预测在给定的溶剂组合中没有氯化钾、麦芽糖醇和磷酸三钠的有效系统，这与实验结果一致。