Recent progress in the science of complex coacervation

CE Sing, SL Perry - Soft Matter, 2020‏ - pubs.rsc.org
Complex coacervation is an associative, liquid–liquid phase separation that can occur in
solutions of oppositely-charged macromolecular species, such as proteins, polymers, and …

Implicit solvation methods for catalysis at electrified interfaces

S Ringe, NG Hormann, H Oberhofer… - Chemical Reviews, 2021‏ - ACS Publications
Implicit solvation is an effective, highly coarse-grained approach in atomic-scale simulations
to account for a surrounding liquid electrolyte on the level of a continuous polarizable …

The role of charge in microdroplet redox chemistry

JP Heindel, RA LaCour, T Head-Gordon - Nature communications, 2024‏ - nature.com
In charged water microdroplets, which occur in nature or in the lab upon ultrasonication or in
electrospray processes, the thermodynamics for reactive chemistry can be dramatically …

Decoding Electrochemical Processes of Lithium‐Ion Batteries by Classical Molecular Dynamics Simulations

X Tan, M Chen, J Zhang, S Li, H Zhang… - Advanced Energy …, 2024‏ - Wiley Online Library
Lithium‐ion batteries (LIBs) have played an essential role in the energy storage industry and
dominated the power sources for consumer electronics and electric vehicles. Understanding …

50th Anniversary Perspective: A Perspective on Polyelectrolyte Solutions

M Muthukumar - Macromolecules, 2017‏ - ACS Publications
From the beginning of life with the information-containing polymers until the present era of a
plethora of water-based materials in health care industry and biotechnology, polyelectrolytes …

Ultrasensitive, stretchable, and fast-response temperature sensors based on hydrogel films for wearable applications

Z Wu, H Ding, K Tao, Y Wei, X Gui, W Shi… - … Applied Materials & …, 2021‏ - ACS Publications
Conductive hydrogels can be used in wearable electronics integrated with skin, but the bulk
structure of existing hydrogel-based temperature sensors limits the wearing comfort …

Comparative roles of charge, π, and hydrophobic interactions in sequence-dependent phase separation of intrinsically disordered proteins

S Das, YH Lin, RM Vernon, JD Forman-Kay… - Proceedings of the …, 2020‏ - pnas.org
Endeavoring toward a transferable, predictive coarse-grained explicit-chain model for
biomolecular condensates underlain by liquid–liquid phase separation (LLPS) of proteins …

Water dielectric effects in planar confinement

A Schlaich, EW Knapp, RR Netz - Physical review letters, 2016‏ - APS
We investigate the dielectric profile of water confined between two planar polar walls using
atomistic molecular dynamics simulations. For a water slab thickness below 1 nm the …

Ion transport in complex layered graphene-based membranes with tuneable interlayer spacing

C Cheng, G Jiang, CJ Garvey, Y Wang, GP Simon… - Science …, 2016‏ - science.org
Investigation of the transport properties of ions confined in nanoporous carbon is generally
difficult because of the stochastic nature and distribution of multiscale complex and imperfect …

Wettability of rock/CO2/brine systems: A critical review of influencing parameters and recent advances

N Yekeen, E Padmanabhan, A Thenesh… - Journal of Industrial and …, 2020‏ - Elsevier
Carbondioxide injection into geological formations is a promising method of optimizing
hydrocarbon recovery, as well as improving CO 2 geo-storage security. However, the …