Computer modeling of charged polymers

Phase behaviour of charged colloidal sphere dispersions with added polymer chains

We study the stability of mixtures of highly screened repulsive charged spheres and non-adsorbing ideal polymer chains in a common solvent using free volume theory. The effective interaction between charged colloids in an aqueous salt solution is described by a screened-Coulomb pair potential, which supplements the pure hardsphere interaction. The ideal polymer chains are treated as spheres tha...

Economical Modeling for Managing the Power Transaction of EVs and Power Market in Smart Parking Lots

The battery of electric vehicles (EV) can be charged from the power grid or discharged back to it. Parking lots can aggregate hundreds of EVs which makes them a significant and flexible load/generation component in the grid. In a smart grid environment, the smart parking lot (SPL) can benefit from the situation of the simultaneous connection to the EVs and power grid. This paper proposes a new ...

An Investigation of Structural-Mechanical Properties of Spun-Bonded Non-Woven Using Computer Vision Method

Design strategy of surface decoration for efficient delivery of nanoparticles by computer simulation

Understanding the role of surface decoration of nanoparticles in protein adsorption and cellular uptake is of great importance in biomedicine. Here, by using dissipative particle dynamics simulations, we take two typical coating polymers (i.e., hydrophilic and zwitterionic polymers) as an example, and systematically investigate their effect on cellular delivery of hydrophobic and charged nanopa...

Field-Theoretic Simulations of Polyelectrolyte Complexation

This viewpoint article is intended as a brief introduction to the emerging subject of field-theoretic simulations (FTS) of charged polymers. While the direct numerical simulation of field theory models has begun to impact several traditional areas of polymer science, including blends and block copolymers, polyelectrolytes have hitherto not been the subject of field-theoretic simulations. Herewe...