Multi-criteria computational screening of [BMIM][DCA]@MOF composites for CO2 capture

Ionic liquid (IL) can be inserted into metal organic framework (MOF) to form IL@MOF composite with enhanced properties. In this work, hypothetical IL@MOFs were computationally constructed and screened by integrating molecular simulation and convolutional neural network (CNN) for CO2 capture. First,...

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Bibliographic Details
Main Authors: Mengjia Sheng, Xiang Zhang, Hongye Cheng, Zhen Song, Zhiwen Qi
Format: Article
Language:English
Published: KeAi Communications Co. Ltd. 2025-06-01
Series:Green Chemical Engineering
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Online Access:http://www.sciencedirect.com/science/article/pii/S266695282400044X
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