Computer simulations of deep eutectic solvents: Challenges, solutions, and perspectives

D Tolmachev, N Lukasheva, R Ramazanov… - International journal of …, 2022 - mdpi.com
Deep eutectic solvents (DESs) are one of the most rapidly evolving types of solvents,
appearing in a broad range of applications, such as nanotechnology, electrochemistry …

Can the microscopic and macroscopic transport phenomena in deep eutectic solvents be reconciled?

H Srinivasan, VK Sharma, S Mitra - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Deep eutectic solvents (DESs) have become ubiquitous in a variety of industrial and
pharmaceutical applications since their discovery. However, the fundamental understanding …

Heterogeneous orientational relaxations and translation–rotation decoupling in (choline chloride+ urea) deep eutectic solvents: investigation through molecular …

J Rajbangshi, K Mukherjee… - The Journal of Physical …, 2021 - ACS Publications
Molecular dynamics simulations and dielectric relaxation (DR) measurements in the
frequency window, 0.2≤ ν/GHz≤ 50, have been performed to explore the heterogeneous …

Noncanonical Relationship between Heterogeneity and the Stokes–Einstein Breakdown in Deep Eutectic Solvents

H Srinivasan, VK Sharma, VG Sakai… - The Journal of …, 2023 - ACS Publications
The relationship between Stokes–Einstein breakdown (SEB) and dynamical heterogeneity
(DH) is of paramount importance in the physical chemistry of complex fluids. In this work, we …

Difference in “supercooling” affinity between (acetamide+ Na/KSCN) deep eutectics: Reflections in the simulated anomalous motions of the constituents and solution …

S Banerjee, PK Ghorai, D Maji… - The Journal of Physical …, 2022 - ACS Publications
Deep depression of freezing points of ionic amide deep eutectic solvents (DESs) is known to
exhibit a significant dependence on the identity of ions present in those systems and the …

Temperature-dependent dielectric relaxation in ionic acetamide deep eutectics: Partial viscosity decoupling and explanations from the simulated single-particle …

K Mukherjee, S Das, J Rajbangshi, E Tarif… - The Journal of …, 2021 - ACS Publications
We report here temperature-dependent (293≤ T (K)≤ 336) dielectric relaxation (DR)
measurements of (acetamide+ LiBr/NO3–/ClO4–) deep eutectic solvents (DESs) in the …

Deep eutectic solvents as green solvents for material preparation

D Yu, D Jiang, Z Xue, T Mu - Green Chemistry, 2024 - pubs.rsc.org
The concept of sustainability has progressively evolved into a consensus for achieving long-
term development, and the significance of solvents in regard of green chemistry and …

Dynamic heterogeneity at the interface of an intrinsically disordered peptide

S Mondal, KP Ghanta… - Journal of Chemical …, 2022 - ACS Publications
It is believed that water around an intrinsically disordered protein or peptide (IDP) in an
aqueous environment plays an important role in guiding its conformational properties and …

Unraveling relationship between complex lifetimes and microscopic diffusion in deep eutectic solvents

T Rinesh, H Srinivasan, VK Sharma… - The Journal of Chemical …, 2024 - pubs.aip.org
Aqueous mixtures of deep eutectic solvents (DESs) have emerged as a subject of interest in
recent years for their tailored physicochemical properties. However, a comprehensive …

Dielectric relaxation and dielectric decrement in ionic acetamide deep eutectic solvents: Spectral decomposition and comparison with experiments

D Maji, R Biswas - The Journal of Chemical Physics, 2023 - pubs.aip.org
Frequency-dependent dielectric relaxation in three deep eutectic solvents
(DESs),(acetamide+ LiClO 4/NO 3/Br), was investigated in the temperature range, 329≤ …