Screening properties of four mesoscale smoothed charge models, with application to dissipative particle dynamics.

J Chem Phys

Department of Chemistry, St. Petersburg State University, 26 Universitetsky prosp., 198504 St. Petersburg, Russia.

Published: February 2014

We extend our previous study [J. Chem. Phys. 138, 204907 (2013)] to quantify the screening properties of four mesoscale smoothed charge models used in dissipative particle dynamics. Using a combination of the hypernetted chain integral equation closure and the random phase approximation, we identify regions where the models exhibit a real-valued screening length, and the extent to which this agrees with the Debye length in the physical system. We find that the second moment of the smoothed charge distribution is a good predictor of this behaviour. We are thus able to recommend a consistent set of parameters for the models.

Download full-text PDF

Source
http://dx.doi.org/10.1063/1.4866375DOI Listing

Publication Analysis

Top Keywords

smoothed charge
12
screening properties
8
properties mesoscale
8
mesoscale smoothed
8
charge models
8
dissipative particle
8
particle dynamics
8
models
4
models application
4
application dissipative
4

Similar Publications

Want AI Summaries of new PubMed Abstracts delivered to your In-box?

Enter search terms and have AI summaries delivered each week - change queries or unsubscribe any time!