Issue 10, 2019

Understanding hydrogelation processes through molecular dynamics

Abstract

Molecular dynamics (MD) is currently one of the preferred techniques employed to understand hydrogelation processes for its ability to include large amounts of atoms in computational calculations, since substantial amounts of solvent molecules are involved in gel formation. MD studies have helped to rationalize experimental outcomes that in many occasions were not well understood based on experimental observations. Additionally, MD has been used to study changes in gel physical properties triggered by variations in reaction conditions or gelator structures. Changes in many physical properties were understood using MD, including molecular diffusion, hydrogel swelling and volume transitions. All the examples gathered in this review might help the reader to discover the current state of the art in MD studies carried out to study hydrogelation processes as well as the pioneering studies that paved the way to introduce MD in the field of gels.

Graphical abstract: Understanding hydrogelation processes through molecular dynamics

Article information

Article type
Review Article
Submitted
17 Қар. 2018
Accepted
11 Қаң. 2019
First published
11 Қаң. 2019

J. Mater. Chem. B, 2019,7, 1652-1673

Understanding hydrogelation processes through molecular dynamics

J. V. Alegre-Requena, C. Saldías, R. Inostroza-Rivera and D. Díaz Díaz, J. Mater. Chem. B, 2019, 7, 1652 DOI: 10.1039/C8TB03036G

To request permission to reproduce material from this article, 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 publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements