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Journal Articles

Critical adsorption and charge reversal in polyelectrolyte solutions: Analytical mean-field theory

C. M. Martens

J. Chem. Phys. 161, 054901 (2024)

https://doi.org/10.1063/5.0222386

Published: August 2024

View article titled, Critical adsorption and charge reversal in polyelectrolyte solutions: Analytical mean-field theory

Journal Articles

pyMBE: The Python-based molecule builder for ESPResSo

David Beyer, Paola B. Torres, Sebastian P. Pineda, Claudio F. Narambuena, Jean-Noël Grad, Peter Košovan, Pablo M. Blanco

J. Chem. Phys. 161, 022502 (2024)

https://doi.org/10.1063/5.0216389

Published: July 2024

View article titled, pyMBE: The Python-based molecule builder for ESPResSo

Journal Articles

The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration

Michel Masella, Fabien Léonforté

J. Chem. Phys. 160, 204902 (2024)

https://doi.org/10.1063/5.0194968

Published: May 2024

View article titled, The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration

Includes: Supplementary data

Journal Articles

Modeling microgel swelling: Influence of chain finite extensibility

Mariano E. Brito, Christian Holm

J. Chem. Phys. 160, 204901 (2024)

https://doi.org/10.1063/5.0205608

Published: May 2024

View article titled, Modeling microgel swelling: Influence of chain finite extensibility

Journal Articles

Field-driven polyelectrolyte–polymer collisions in nanochannels

H. Y. Wang, G. W. Slater

J. Chem. Phys. 160, 194902 (2024)

https://doi.org/10.1063/5.0195302

Published: May 2024

View article titled, Field-driven polyelectrolyte–polymer collisions in nanochannels

Journal Articles

Unveiling the transition of tumbling and tank-treading dynamics of star-shaped polyelectrolytes in shear flow by modulating the solution’s dielectric properties

Bo Peng, Lijun Liu, Dapeng Wang

J. Chem. Phys. 160, 184903 (2024)

https://doi.org/10.1063/5.0198272

Published: May 2024

View article titled, Unveiling the transition of tumbling and tank-treading dynamics of star-shaped polyelectrolytes in shear flow by modulating the solution’s dielectric properties

Includes: Supplementary data

Journal Articles

Collapse and expansion kinetics of a single polyelectrolyte chain with hydrodynamic interactions

Jiaxing Yuan, Tine Curk

J. Chem. Phys. 160, 161103 (2024)

https://doi.org/10.1063/5.0201740

Published: April 2024

View article titled, Collapse and expansion kinetics of a single polyelectrolyte chain with hydrodynamic interactions

Includes: Supplementary data

Journal Articles

Responses of assembled structures of block polyelectrolytes to electrostatic interaction strength

Fujia Wang, Xinyi Liu, Wei Yang, Yao Chen, Liyan Liu

J. Chem. Phys. 160, 144903 (2024)

https://doi.org/10.1063/5.0194617

Published: April 2024

View article titled, Responses of assembled structures of block polyelectrolytes to electrostatic interaction strength

Includes: Supplementary data

Journal Articles

Effect of polyacid architecture and polycation molecular weight on lateral diffusion within multilayer films

Jordan Brito, Parin Purvin Shah, Aliaksei Aliakseyeu, Svetlana A. Sukhishvili

J. Chem. Phys. 160, 121101 (2024)

https://doi.org/10.1063/5.0190377

Published: March 2024

View article titled, Effect of polyacid architecture and polycation molecular weight on lateral diffusion within multilayer films

Includes: Supplementary data

Journal Articles

Effect of ion distribution on stress relaxation in polyelectrolyte complex gels

Alexey A. Gavrilov, Elena Yu. Kramarenko

J. Chem. Phys. 160, 114901 (2024)

https://doi.org/10.1063/5.0198332

Published: March 2024

View article titled, Effect of ion distribution on stress relaxation in polyelectrolyte complex gels

Includes: Supplementary data

Journal Articles

Effect of counterion size on polyelectrolyte conformations and thermodynamics

Souradeep Ghosh, Arindam Kundagrami

J. Chem. Phys. 160, 084909 (2024)

https://doi.org/10.1063/5.0178233

Published: February 2024

View article titled, Effect of counterion size on polyelectrolyte conformations and thermodynamics

Journal Articles

Kinetic pathway and micromechanics of fusion/fission for polyelectrolyte vesicles

Luofu Liu, Chao Duan, Rui Wang

J. Chem. Phys. 160, 024908 (2024)

https://doi.org/10.1063/5.0185934

Published: January 2024

View article titled, Kinetic pathway and micromechanics of fusion/fission for polyelectrolyte vesicles

Includes: Supplementary data

Journal Articles

Single-chain simulation of Ising density functional theory for weak polyelectrolytes

Alejandro Gallegos, Marcus Müller, Jianzhong Wu

J. Chem. Phys. 159, 214902 (2023)

https://doi.org/10.1063/5.0175561

Published: December 2023

View article titled, Single-chain simulation of Ising density functional theory for weak polyelectrolytes

Journal Articles

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

Kamal Tripathi, Hitesh Garg, R. Rajesh, Satyavani Vemparala

J. Chem. Phys. 159, 204903 (2023)

https://doi.org/10.1063/5.0172696

Published: November 2023

View article titled, The conformational phase diagram of charged polymers in the presence of attractive bridging crowders

Includes: Supplementary data

Journal Articles

Counterion-controlled phase equilibria in a charge-regulated polymer solution

Giulia L. Celora, Ralf Blossey, Andreas Münch, Barbara Wagner

J. Chem. Phys. 159, 184902 (2023)

https://doi.org/10.1063/5.0169610

Published: November 2023

View article titled, Counterion-controlled phase equilibria in a charge-regulated polymer solution

Journal Articles

Influence of nanopore coating patterns on the translocation dynamics of polyelectrolytes

Adwait Datar, Bohdan Tanyhin, Simone Melchionna, Maria Fyta

J. Chem. Phys. 159, 134901 (2023)

https://doi.org/10.1063/5.0164355

Published: October 2023

View article titled, Influence of nanopore coating patterns on the translocation dynamics of polyelectrolytes

Journal Articles

A new method for reactive constant pH simulations

Yan Levin, Amin Bakhshandeh

J. Chem. Phys. 159, 111101 (2023)

https://doi.org/10.1063/5.0166840

Published: September 2023

View article titled, A new method for reactive constant pH simulations

Journal Articles

Polyzwitterion fast and slow mode behavior are coupled to phase separation as observed by dynamic laser light scattering

Phillip D. Pickett, Yuanchi Ma, Vivek M. Prabhu

J. Chem. Phys. 159, 104902 (2023)

https://doi.org/10.1063/5.0162376

Published: September 2023

View article titled, Polyzwitterion fast and slow mode behavior are coupled to phase separation as observed by dynamic laser light scattering

Includes: Supplementary data

Journal Articles

Heat capacity changes associated with G-quadruplex unfolding

Arees Garabet, Lutan Liu, Tigran V. Chalikian

J. Chem. Phys. 159, 055101 (2023)

https://doi.org/10.1063/5.0157749

Published: August 2023

View article titled, Heat capacity changes associated with G-quadruplex unfolding

Includes: Supplementary data

Journal Articles

A generalized grand-reaction method for modeling the exchange of weak (polyprotic) acids between a solution and a weak polyelectrolyte phase

David Beyer, Christian Holm

J. Chem. Phys. 159, 014905 (2023)

https://doi.org/10.1063/5.0155973

Published: July 2023

View article titled, A generalized grand-reaction method for modeling the exchange of weak (polyprotic) acids between a solution and a weak polyelectrolyte phase

NARROW

Topics

Critical adsorption and charge reversal in polyelectrolyte solutions: Analytical mean-field theory

pyMBE: The Python-based molecule builder for ESPResSo

The multi-scale polarizable pseudo-particle solvent coarse-grained approach: From NaCl salt solutions to polyelectrolyte hydration

Modeling microgel swelling: Influence of chain finite extensibility

Field-driven polyelectrolyte–polymer collisions in nanochannels

Unveiling the transition of tumbling and tank-treading dynamics of star-shaped polyelectrolytes in shear flow by modulating the solution’s dielectric properties

Collapse and expansion kinetics of a single polyelectrolyte chain with hydrodynamic interactions

Responses of assembled structures of block polyelectrolytes to electrostatic interaction strength

Effect of polyacid architecture and polycation molecular weight on lateral diffusion within multilayer films

Effect of ion distribution on stress relaxation in polyelectrolyte complex gels

Effect of counterion size on polyelectrolyte conformations and thermodynamics

Kinetic pathway and micromechanics of fusion/fission for polyelectrolyte vesicles

Single-chain simulation of Ising density functional theory for weak polyelectrolytes

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

Counterion-controlled phase equilibria in a charge-regulated polymer solution

Influence of nanopore coating patterns on the translocation dynamics of polyelectrolytes

A new method for reactive constant pH simulations

Polyzwitterion fast and slow mode behavior are coupled to phase separation as observed by dynamic laser light scattering

Heat capacity changes associated with G-quadruplex unfolding

A generalized grand-reaction method for modeling the exchange of weak (polyprotic) acids between a solution and a weak polyelectrolyte phase

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