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The influence of the chain degree of ionization on the adsorption of weak polyelectrolytes on neutral and on oppositely and likely charged surfaces is investigated for the first time, by means of Monte Carlo simulations with the mesoscopic…

Biological Physics · Physics 2012-10-02 F. Alarcón , E. Pérez , A. Gama Goicochea

The distribution of counterions and the electrostatic interaction between two similarly charged dielectric slabs is studied in the strong coupling limit. Dielectric inhomogeneities and discreteness of charge on the slabs have been taken…

Biological Physics · Physics 2015-06-12 Weria Pezeshkian , Narges Nikoofard , Davood Norouzi , Farshid Mohammad-Rafiee , Hossein Fazli

We analyse the impact of temperature on the diffusion coefficient of an inertial Brownian particle moving in a symmetric periodic potential and driven by a symmetric time-periodic force. Recent studies have revealed the low friction regime…

Statistical Mechanics · Physics 2023-06-28 I. G. Marchenko , V. Aksenova , I. I. Marchenko , J. Łuczka , J. Spiechowicz

A multiple-image method is developed to accurately calculate the electrostatic interaction between neutral dielectric particles and a uniformly charged dielectric substrate. The difference in dielectric constants between the particle and…

Soft Condensed Matter · Physics 2024-12-18 Xin Li , Changhao Li , Xiangui Chen , Zaixin Wang , Sun Min , Decai Huang

This paper builds on two previous works, Lindgren et al. J. Comp. Phys. 371, 712-731 (2018) and Quan et al. arXiv:1807.05384 (2018), to devise a new method to solve the problem of calculating electrostatic interactions in a system composed…

Soft Condensed Matter · Physics 2019-02-20 Eric B. Lindgren , Chaoyu Quan , Benjamin Stamm

Molecular dynamics simulations are used to study the phase behavior of linear multiblock copolymers with two types of monomers, A and B, where the length of the polymer blocks $N_{A}$ and $N_{B}$ ($N_{A}=N_{B}=N$), the number of the blocks…

Soft Condensed Matter · Physics 2011-02-04 Panagiotis E. Theodorakis , Nikolaos G. Fytas

We studied the phase behavior of charged and sterically stabilized colloids using confocal microscopy in a less polar solvent (dielectric constant 5.4). Upon increasing the colloid volume fraction we found a transition from a fluid to a…

Amphiphilic block copolymers self-assemble into diverse nanoscale morphologies with significant implications for drug delivery. This work presents systematic Brownian dynamics simulations of multi-chain diblock and triblock copolymers…

Soft Condensed Matter · Physics 2026-04-21 Ehsan Kamali Ahangar , Dominic Robe , Elnaz Hajizadeh

Structural and thermodynamic properties of the model solution containing charged oligomers and the equivalent number of counterions were studied by means of the canonical Monte Carlo simulation technique. The oligomers are represented as…

Soft Condensed Matter · Physics 2012-02-21 T. Sajevic , J. Rescic , V. Vlachy

In this study, we propose a theoretical framework to investigate the interactions between flexible polymer chains, specifically polyelectrolytes (PEs). By calculating the system's free energy while considering position-dependent mutual…

Soft Condensed Matter · Physics 2024-05-13 Souradeep Ghosh

The complexation between charged-neutral block copolymers and oppositely charged surfactants was investigated by light scattering experiments and by isothermal titration calorimetry (ITC). The copolymer was poly(sodium…

Materials Science · Physics 2011-07-27 J. Courtois , J. -F. Berret

Block copolymer melts self-assemble in the bulk into a variety of nanostructures, making them perfect candidates to template the position of nanoparticles. The morphological changes of block copolymers are studied in the presence of a…

Soft Condensed Matter · Physics 2019-10-31 Javier Diaz , Marco Pinna , Andrei V. Zvelindovsky , Ignacio Pagonabarraga

Molecular dynamics simulations are used to study the phase behavior of a single linear multiblock copolymer with blocks of A- and B-type monomers under poor solvent conditions, varying the block length $N$, number of blocks $n$, and the…

Soft Condensed Matter · Physics 2011-02-25 P. E. Theodorakis , N. G. Fytas

The interaction of charges in dielectric materials is screened by the dielectric constant of the bulk dielectric. In dielectric theories, screening is assigned to the surface charge appearing from preferential orientations of dipoles along…

Soft Condensed Matter · Physics 2019-09-04 Salman Seyedi , Daniel R. Martin , Dmitry V. Matyushov

Electric double layers (EDL) with counterions only, say electrons with the elementary charge $-e$, in thermal equilibrium at the inverse temperature $\beta$ are considered. In particular, we study the effect of the surface charge modulation…

Statistical Mechanics · Physics 2022-07-26 Ladislav Šamaj

Dielectric relaxation spectra of block polymers containing sequential type-A dipoles are considered. Spectra of a specific set of block copolymers can be combined to isolate the dynamic cross-correlation between the motions of two distinct…

Soft Condensed Matter · Physics 2013-05-29 George D. J. Phillies

Dynamic density functionals (DDFs) are popular tools for studying the dynamical evolution of inhomogeneous polymer systems. Here, we present a systematic evaluation of a set of diffusive DDF theories by comparing their predictions with data…

Soft Condensed Matter · Physics 2018-02-07 Shuanhu Qi , Friederike Schmid

Counterion distribution around an isolated flexible polyelectrolyte in the presence of a divalent salt is evaluated using the adsorption model [M. Muthukumar, J. Chem. Phys. {\bf 120}, 9343 (2004)] that considers Bjerrum length, salt…

Soft Condensed Matter · Physics 2008-12-29 Arindam Kundagrami , M. Muthukumar

Photon correlation spectroscopy and rheological measurements are performed to investigate the microscopic dynamics and mechanical responses of aqueous solutions of triblock copolymers and aqueous mixtures of triblock copolymers and anionic…

Soft Condensed Matter · Physics 2011-09-28 Rajib Basak , Nabaneeta Mukhopadhyay , Ranjini Bandyopadhyay

In systems of highly charged linear polyelectrolytes and oppositely charged colloidal particles, long-lived clusters of polyelectrolyte-decorated particles form in an interval of concentrations around the isoelectric point, where reentrant…

Soft Condensed Matter · Physics 2008-07-24 S. Sennato , D. Truzzolillo , F. Bordi , C. Cametti