A digital tool for liquid–liquid extraction process design

doi:10.1039/D5DD00104H

2025-07-26

DOI：10.1039/D5DD00104H

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En 中文

水相液-液萃取对于制药行业中化合物的纯化和杂质去除至关重要。然而，此类操作中涉及的广泛溶剂空间凸显了需要一种有据可依的溶剂选择方法。我们介绍了一种数字工具，旨在利用数据驱动的实验来提高过程效率与可持续性，符合行业数字化趋势。它允许用户输入各种参数，检索相关数据，并可视化萃取效率，从而加深过程理解并缩短过程开发周期。通过提供交互式可视化和促进快速假设生成，该工具支持有据可依的决策并简化工作流程。该工具的应用通过代表性地展示了涉及 Buchwald 偶联反应末尾混合物中多种化合物分离的复杂场景。总体而言，该数字工具为化学过程设计提供了一种新的实用且数据导向的方法，具有在开发期间提高实验效率以及改善商业过程环境可持续性的潜力。

Keyword:

liquid-liquid extraction

solvent selection

digital tool

process efficiency

sustainable chemistry

期刊

Digital Discovery

IF:

5.6

论文数:

997

被引数:

1.7K

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