Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents

Stephanie Spittle, Derrick Poe, Brian Doherty, Charles Kolodziej, Luke Heroux, Md Ashraful Haque, Henry Squire, Tyler Cosby, Yong Zhang, Carla Fraenza, Sahana Bhattacharyya, Madhusudan Tyagi, Jing Peng, Ramez A. Elgammal, Thomas Zawodzinski, Mark Tuckerman, Steve Greenbaum, Burcu Gurkan, Clemens Burda, Mark Dadmun, Edward J. Maginn () and Joshua Sangoro ()
Additional contact information
Stephanie Spittle: University of Tennessee
Derrick Poe: University of Notre Dame
Brian Doherty: New York University
Charles Kolodziej: Case Western Reserve University
Luke Heroux: University of Tennessee
Md Ashraful Haque: University of Tennessee
Henry Squire: Case Western Reserve University
Tyler Cosby: University of Tennessee Southern
Yong Zhang: University of Notre Dame
Carla Fraenza: Hunter College
Sahana Bhattacharyya: Hunter College
Madhusudan Tyagi: NIST Center for Neutron Research
Jing Peng: Beihang University
Ramez A. Elgammal: University of Tennessee
Thomas Zawodzinski: University of Tennessee
Mark Tuckerman: New York University
Steve Greenbaum: Hunter College
Burcu Gurkan: Case Western Reserve University
Clemens Burda: Case Western Reserve University
Mark Dadmun: University of Tennessee
Edward J. Maginn: University of Notre Dame
Joshua Sangoro: University of Tennessee

Nature Communications, 2022, vol. 13, issue 1, 1-14

Abstract: Abstract Deep eutectic solvents (DESs) are an emerging class of non-aqueous solvents that are potentially scalable, easy to prepare and functionalize for many applications ranging from biomass processing to energy storage technologies. Predictive understanding of the fundamental correlations between local structure and macroscopic properties is needed to exploit the large design space and tunability of DESs for specific applications. Here, we employ a range of computational and experimental techniques that span length-scales from molecular to macroscopic and timescales from picoseconds to seconds to study the evolution of structure and dynamics in model DESs, namely Glyceline and Ethaline, starting from the parent compounds. We show that systematic addition of choline chloride leads to microscopic heterogeneities that alter the primary structural relaxation in glycerol and ethylene glycol and result in new dynamic modes that are strongly correlated to the macroscopic properties of the DES formed.

Date: 2022
References: Add references at CitEc
Citations: View citations in EconPapers (1)

Downloads: (external link)
https://www.nature.com/articles/s41467-021-27842-z Abstract (text/html)

Related works:
This item may be available elsewhere in EconPapers: Search for items with the same title.

Export reference: BibTeX RIS (EndNote, ProCite, RefMan) HTML/Text

Persistent link: https://EconPapers.repec.org/RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-021-27842-z

Ordering information: This journal article can be ordered from
https://www.nature.com/ncomms/

DOI: 10.1038/s41467-021-27842-z

Access Statistics for this article

Nature Communications is currently edited by Nathalie Le Bot, Enda Bergin and Fiona Gillespie

More articles in Nature Communications from Nature
Bibliographic data for series maintained by Sonal Shukla () and Springer Nature Abstracting and Indexing ().