43 citations · 132 across the 8 of their papers we have counts for
8 papers
Simulation of the RAFT polymerization in 3D: steric restrictions and incompatibility between species
Alexey A. Gavrilov, Alexander V. Chertovich
In this work we developed a RAFT polymerization model taking into account the main reactions of the experimental RAFT process and implemented that model in dissipative particle dyn…
The Effect of Explicit Polar Species on Conformational Behavior of a Single Polyelectrolyte Chain
Yulia D. Gordievskaya, Elena Yu. Kramarenko, Alexey A. Gavrilov
In this work we investigated the question of how the molecular nature of the dielectric media and the polymer-solvent dielectric mismatch affect the collapse of a polyelectrolyte c…
A novel heterogeneous structure formed by a single multiblock copolymer chain
Artem Petrov, Alexey Gavrilov, Alexander Chertovich
We studied structures formed by a single multiblock copolymer chain, in which interaction between A-type beads was purely repulsive, and B-type beads tended to aggregate.…
Influence of charges on the behavior of polyelectrolyte microgels confined to oil-water interfaces
Maximilian M. Schmidt, Steffen Bochenek, Alexey A. Gavrilov +2
The role of electrostatics on the interfacial properties of polyelectrolyte microgels has been discussed controversially in the literature. It is not yet clear if, or how, Coulomb…
Core-shell microgels via precipitation polymerization: computer simulations
Alexey A. Gavrilov, Vladimir Yu. Rudyak, Alexander V. Chertovich
In this work we presented a novel computational model of precipitation polymerization allowing one to obtain core-shell microgels via a realistic cross-linking process based on the…
Phase Behavior of Melts of Diblock-Copolymers with One Charged Block
Alexey A. Gavrilov, Alexander V. Chertovich, Igor I. Potemkin
In this work we investigated the phase behavior of melts of block-copolymers with one charged block by means of dissipative particle dynamics with explicit electrostatic interactio…
Dissipative Particle Dynamics for Systems with Polar Species
Alexey A. Gavrilov
In this work we developed a method for simulating polar species in the dissipative particle dynamics (DPD) method. The main idea behind the method is to treat each bead as a dumb-b…
Copolymerization of partly incompatible monomers: an insight from computer simulations
Alexey A. Gavrilov, Alexander V. Chertovich
In this work we used dissipative particle dynamics simulations to study the copolymerization process in the presence of spatial heterogeneities caused by incompatibility between po…