CO<sub>2</sub> and SO<sub>2</sub> Capture by Cryptophane-111 Porous Liquid: Insights from Molecular Dynamics Simulations and Computational Chemistry

A computational study of the encapsulation of a gaseous mixture of CO<sub>2</sub> and SO<sub>2</sub> in a Type II porous liquid is performed under different conditions. The system is composed of cryptophane-111 molecules dispersed in dichloromethane, and it is described using...

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Bibliographic Details
Main Authors: Pablo Collado, Manuel M. Piñeiro, Martín Pérez-Rodríguez
Format: Article
Language:English
Published: MDPI AG 2025-04-01
Series:Nanomaterials
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Online Access:https://www.mdpi.com/2079-4991/15/8/616
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