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 …

Lubrication and drug release behaviors of mesoporous silica nanoparticles grafted with sulfobetaine-based zwitterionic polymer

L Wan, X Tan, T Sun, Y Sun, J Luo, H Zhang - Materials Science and …, 2020 - Elsevier
Osteoarthritis, which is characterized by irreversible destruction of articular cartilage and
severe inflammation of joint capsule, may be effectively treated via the synergistic therapy of …

Effect of Temperature on the Cononsolvency of Poly(N-isopropylacrylamide) (PNIPAM) in Aqueous 1-Propanol

HA Pérez-Ramírez, C Haro-Pérez… - ACS Applied Polymer …, 2019 - ACS Publications
The wide range of applications of poly (N-isopropylacrylamide)(PNIPAM) is based on the
temperature dependence of its coil-to-globule transition, which strongly relies on the solvent …

An interplay of electrostatic and excluded volume interactions in the conformational behavior of a dipolar chain: theory and computer simulations

YD Gordievskaya, YA Budkov, EY Kramarenko - Soft matter, 2018 - pubs.rsc.org
The effect of an interplay between electrostatic and excluded volume interactions on the
conformational behavior of a dipolar chain has been studied theoretically and by means of …

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 …

Impregnation of poly (methyl methacrylate) with carbamazepine in supercritical carbon dioxide: molecular dynamics simulation

DL Gurina, YA Budkov, MG Kiselev - The Journal of Physical …, 2020 - ACS Publications
Fully atomistic molecular dynamics simulations are employed to study impregnation of the
poly (methyl methacrylate)(PMMA) matrix with carbamazepine (CBZ) in supercritical carbon …

Tuning the collapse transition of weakly charged polymers by ion-specific screening and adsorption

R Chudoba, J Heyda, J Dzubiella - Soft matter, 2018 - pubs.rsc.org
The experimentally observed swelling and collapse response of weakly charged polymers
to the addition of specific salts displays quite convoluted behavior that is not easy to …

Density functional theory model for adsorption-induced deformation of mesoporous materials with nonconvex pore geometry

AL Kolesnikov, YA Budkov, GY Gor - The Journal of Physical …, 2020 - ACS Publications
Adsorption of fluids in nanoporous media causes mechanical stresses which result in
deformation. This phenomenon is ubiquitous, and its magnitude depends on the pore size …

Phase Separation of Homopolymers in Binary Mixed Solvents─ The Co-Nonsolvency Effect

P Zhang - Macromolecules, 2024 - ACS Publications
As one of the most intriguing phenomena in polymer solutions, the co-nonsolvency effect
refers to the collapse of a homopolymer chain or phase separation of homopolymer …

Effects of enhanced flexibility and pore size distribution on adsorption-induced deformation of mesoporous materials

AL Kolesnikov, N Georgi, YA Budkov, J Möllmer… - Langmuir, 2018 - ACS Publications
Here, we present a new model of adsorption-induced deformation of mesoporous solids.
The model is based on a simplified version of local density functional theory in the …