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

Sichi Li; Marcos F. Calegari Andrade; Anthony J. Varni; Glory A. Russell-Parks; Wade A. Braunecker; Elwin Hunter-Sellars; Maxwell A. T. Marple; Simon H. Pang

doi:10.1039/D3CC02702C

You do not have JavaScript enabled. Please enable JavaScript to access the full features of the site or access our non-JavaScript page.

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

Sichi Li,

*^a Marcos F. Calegari Andrade,^a Anthony J. Varni,

^a Glory A. Russell-Parks,^bc Wade A. Braunecker,

^bc Elwin Hunter-Sellars,^a Maxwell A. T. Marple

^a and Simon H. Pang

*^a

Author affiliations

* Corresponding authors

^a Materials Science Division, Lawrence Livermore National Laboratory, Livermore, CA 94550, USA
E-mail: li77@llnl.gov, pang6@llnl.gov

^b National Renewable Energy Laboratory, 15013 Denver West Parkway, Golden, Co 80401, USA

^c Department of Chemistry, Colorado School of Mines, 1500 Illinois St., Golden, CO 80401, USA

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.

This article is part of the themed collections: Chemical Communications HOT Articles 2023 and ChemComm Most Popular 2023 Articles

Download options Please wait...

Supplementary files

Supplementary information PDF (2875K)

Article information

DOI: https://doi.org/10.1039/D3CC02702C
Article type: Communication
Submitted: 05 juin 2023
Accepted: 02 août 2023
First published: 02 août 2023
This article is Open Access

Download Citation

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

Permissions

Request permissions

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

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Social activity

Fetching data from CrossRef.
This may take some time to load.

Chemical Communications