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

Spittle, Stephanie; Poe, Derrick; Doherty, Brian; Kolodziej, Charles; Heroux, Luke; Haque, Md Ashraful; Squire, Henry; Cosby, Tyler; Zhang, Yong; Fraenza, Carla; Bhattacharyya, Sahana; Tyagi, Madhusudan; Peng, Jing; Elgammal, Ramez A.; Zawodzinski, Thomas; Tuckerman, Mark; Greenbaum, Steve; Gurkan, Burcu; Burda, Clemens; Dadmun, Mark; Maginn, Edward J.; Sangoro, Joshua

doi:10.1038/s41467-021-27842-z

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

Journal Article · 10 January 2022 · Nature Communications

DOI: https://doi.org/10.1038/s41467-021-27842-z · OSTI ID:1839312

Spittle, Stephanie; Poe, Derrick; Doherty, Brian;

;

; Haque, Md Ashraful;

; Cosby, Tyler; Zhang, Yong; Fraenza, Carla; Bhattacharyya, Sahana;

; Peng, Jing; Elgammal, Ramez A.; Zawodzinski, Thomas;

;

; Gurkan, Burcu; Burda, Clemens; Dadmun, Mark more »

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.

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Research Organization:: Case Western Reserve Univ., Cleveland, OH (United States)

Sponsoring Organization:: USDOE; USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0019409

OSTI ID:: 1839312

Journal Information:: Nature Communications, Journal Name: Nature Communications Journal Issue: 1 Vol. 13; ISSN 2041-1723

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United Kingdom

Language:: English

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

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