Issue 72, 2023

Enhanced hydrogen bonding via epoxide-functionalization restricts mobility in poly(ethylenimine) for CO2 capture

Abstract

Free energy sampling, deep potential molecular dynamics, and characterizations provide insights into the impact of epoxide-functionalization on the hydrogen bonding and mobility of poly(ethylenimine), a promising CO2 sorbent. These findings rationalize the anti-degradation effects of epoxide functionalization and open up new avenues for designing more durable CO2 sorbents.

Graphical abstract: Enhanced hydrogen bonding via epoxide-functionalization restricts mobility in poly(ethylenimine) for CO2 capture

Supplementary files

Article information

Article type
Communication
Submitted
05 Jūn. 2023
Accepted
02 Aug. 2023
First published
02 Aug. 2023
This article is Open Access
Creative Commons BY-NC license

Chem. Commun., 2023,59, 10737-10740

Enhanced hydrogen bonding via epoxide-functionalization restricts mobility in poly(ethylenimine) for CO2 capture

S. Li, M. F. Calegari Andrade, A. J. Varni, G. A. Russell-Parks, W. A. Braunecker, E. Hunter-Sellars, M. A. T. Marple and S. H. Pang, Chem. Commun., 2023, 59, 10737 DOI: 10.1039/D3CC02702C

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