Breakdown of the Stokes–Einstein relation in supercooled water: The jump-diffusion perspective

V Dubey, S Dueby, S Daschakraborty - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Although water is the most ubiquitous liquid it shows many thermodynamic and dynamic
anomalies. Some of the anomalies further intensify in the supercooled regime. While many …

Relationships between molecular structural order parameters and equilibrium water dynamics in aqueous mixtures

DC Robinson Brown, TR Webber, S Jiao… - The Journal of …, 2023 - ACS Publications
Water's unique thermophysical properties and how it mediates aqueous interactions
between solutes have long been interpreted in terms of its collective molecular structure …

Diffusion of hydrocarbons diluted in supercritical carbon dioxide

D Saric, G Guevara-Carrion, Y Gaponenko… - Scientific reports, 2023 - nature.com
Mutual diffusion of six hydrocarbons (methane, ethane, isobutane, benzene, toluene or
naphthalene) diluted in supercritical carbon dioxide (CO 2) is studied by molecular …

Anomalous lateral diffusion of lipids during the fluid/gel phase transition of a lipid membrane

A Kumar, S Daschakraborty - Physical Chemistry Chemical Physics, 2023 - pubs.rsc.org
A lipid membrane undergoes a phase transition from fluid to gel phase upon changing
external thermodynamic conditions, such as decreasing temperature and increasing …

Non-monotonic composition dependence of the breakdown of Stokes–Einstein relation for water in aqueous solutions of ethanol and 1-propanol: explanation using …

S Dueby, V Dubey, S Indra… - Physical Chemistry …, 2022 - pubs.rsc.org
A series of experimental and simulation studies examined the validity of the Stokes–Einstein
relationship (SER) of water in binary water/alcohol mixtures of different mixture …

Atomic-scale insights into the phase behavior of carbon dioxide and water from 313 to 573 K and 8 to 30 MPa

M Shiga, T Morishita, N Nishiyama, M Sorai, M Aichi… - ACS …, 2024 - ACS Publications
We performed molecular dynamics (MD) simulations of CO2+ H2O systems by employing
widely used force fields (EPM2, TraPPE, and PPL models for CO2; SPC/E and TIP4P/2005 …

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 …

Fickian yet non-Gaussian nanoscopic lipid diffusion in the raft-mimetic membrane

S Erimban, S Daschakraborty - The Journal of Physical Chemistry …, 2023 - ACS Publications
Past experiments rationalized the observed dynamic heterogeneity and non-Gaussian
diffusion in living cell membranes in terms of slow-active remodeling of the underlying …

What Is the Viscosity of Liquid Water Confined in a Hydrophobic Nanotube? Estimation Using a Novel Approach

GR Khan, S Daschakraborty - The Journal of Physical Chemistry …, 2023 - ACS Publications
Computation of the shear viscosity (η) of liquid water under nanoconfinement is a daunting
task, albeit crucial in different areas related to nanofluidics. The viscosity of bulk water is …

Microscopic structural features of water in aqueous–reline mixtures of varying compositions

S Sarkar, A Maity, R Chakrabarti - Physical Chemistry Chemical …, 2021 - pubs.rsc.org
Reline, a mixture of urea and choline chloride in a 2: 1 molar ratio, is one of the most
frequently used deep eutectic solvents. Pure reline and its aqueous solution have large …