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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| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
KeAi Communications Co. Ltd.
2025-06-01
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| Series: | Green Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S266695282400044X |
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