Dissipative particle dynamics simulation of molecule self-diffusion under cylindrical confinement

Supramolecule Structure for Amphiphilic Molecule by Dissipative Particle Dynamics Simulation

Meso-scale simulation of structure formation for AB-dimers in solution W monomers was performed by dissipative particle dynamics (DPD) algorithm. As a simulation model, modified Jury Model was adopted [Jury, S. et al. “Simulation of amphiphilic mesophases using dissipative particle dynamics,” Phys. Chem. Chem. Phys. 1 (1999) 2051–2056], which represents mechanics of self-assembly for surfactant...

Phase diagram for self-assembly of amphiphilic molecule C12E6 by dissipative particle dynamics simulation

In a previous study, dissipative particle dynamics simulation was used to qualitatively clarify the phase diagram of the amphiphilic molecule hexaethylene glycol dodecyl ether (C12E6). In the present study, the hydrophilicity dependence of the phase structure was clarified qualitatively by varying the interaction potential between hydrophilic molecules and water molecules in a dissipative parti...

Dissipative Particle Dynamics simulation hydrated Nafion EW 1200 as fuel cell membrane in nanoscopic scale

The microphase separation of hydrated perfluorinated sulfonic acid membrane Nafion was investigated using Dissipative Particle Dynamics (DPD). The nafion as a polymer was modelled by connecting coarse grained beads which corresponds to the hydrophobic backbone of polytetrafluoroethylene and perfluorinated side chains terminated by hydrophilic end particles of sulfonic acid groups [1, 2]. Each f...

Simulation of Droplet Breakup by Dissipative Particle Dynamics (DPD)

Dissipative particle dynamics simulations of polymer-protected nanoparticle self-assembly.

Dissipative particle dynamics simulations were used to study the effects of mixing time, solute solubility, solute and diblock copolymer concentrations, and copolymer block length on the rapid coprecipitation of polymer-protected nanoparticles. The simulations were aimed at modeling Flash NanoPrecipitation, a process in which hydrophobic solutes and amphiphilic block copolymers are dissolved in...