Unifying weak and strong charge correlations within the random phase approximation: Polyampholytes of various sequences

AM Rumyantsev, A Johner, MV Tirrell… - Macromolecules, 2022 - ACS Publications
We consider the problem of charge correlations in self-coacervate phases of
polyampholytes and disordered proteins with different monomer sequences. An analytical …

Statistical field theory of ion–molecular solutions

YA Budkov - Physical Chemistry Chemical Physics, 2020 - pubs.rsc.org
In this article, I summarize my theoretical developments in the statistical field theory of salt
solutions of zwitterionic and multipolar molecules. Based on the Hubbard–Stratonovich …

Conformational Behavior of a Single Dipolar Chain under Stretching Force

TY Merzliakova, YD Gordievskaya… - Macromolecules, 2023 - ACS Publications
The stretching of a single dipolar chain by a tensile force acting on the chain end is studied
using molecular dynamics simulations and theoretical considerations. In both theory and …

Scaling theory of neutral sequence-specific polyampholytes

AM Rumyantsev, NE Jackson, A Johner… - …, 2021 - ACS Publications
The primary sequence of charged monomers in a polyampholyte has a profound effect on its
conformational properties. In this work, theory and simulations are used to predict how the …

[HTML][HTML] A comparative study of polymer viscosity modifiers: Flow field challenges & alternative trends

K Khajeh, D Talukdar, S Yamamoto, S Endo… - Journal of Molecular …, 2024 - Elsevier
In recent years, substantial advancements have been achieved in augmenting the energy
efficiency of hydraulic fluids through the integration of polymers. This study employs a …

The conformational phase diagram of charged polymers in the presence of attractive bridging crowders

K Tripathi, H Garg, R Rajesh… - The Journal of Chemical …, 2023 - pubs.aip.org
Using extensive molecular dynamics simulations, we obtain the conformational phase
diagram of a charged polymer in the presence of oppositely charged counterions and …

Interplay of polymer structure, solvent ordering, and charge fluctuations in polyelectrolyte solution thermodynamics

M Beckinghausen, AJ Spakowitz - Macromolecules, 2022 - ACS Publications
We develop a polymer field-theoretic model that incorporates explicit treatment of
semiflexibility and polar solvents, providing a framework to determine the impact of solvent …

Effect of host incompatibility and polarity contrast on ion transport in ternary polymer-polymer-salt blend electrolytes

BK Wheatle, NA Lynd, V Ganesan - Macromolecules, 2020 - ACS Publications
We study ternary polymer-polymer-salt blend electrolytes using coarse-grained molecular
dynamics. We specifically examine the influence of the polymer hosts' incompatibility and …

Theory of self-coacervation in semi-dilute and concentrated zwitterionic polymer solutions

YA Budkov, PE Brandyshev, NN Kalikin - Soft Matter, 2023 - pubs.rsc.org
Based on the random phase approximation, we develop a molecular theory of self-
coacervation in zwitterionic polymer solutions. We show that the interplay between the …

Models of the conformational behavior of polymers in mixed solvents

YA Budkov, AL Kolesnikov - Polymer Science, Series C, 2018 - Springer
Theoretical models of the conformational behavior of flexible polymer chains in mixed
solvents enunciated in the world literature during the last decade are critically reviewed …