Supplementary Data for Paper Entitled "Dynamic Behaviour of the Silica-Water-Bio Electric Double Layer in the Presence of Divalent Electrolyte" 

    Name/institution/address/email information for Research Group or Principal investigator or person responsible for collecting the data

Nicolas G. Green - Corresponding Author. 
ng2@soton.ac.uk
Extension: 23778
Telephone: +44 (0)23 8059 3778
Location: Building 53, Level 4, Room 4010
University of Southampton 

    Date of data collection (can be a single date, or a range)
Paper Accepted 18th October 2016. Paper started in June 2015.

    Licenses or restrictions placed on the data

To be published CC BY

    Links to publications that cite or use the data

https://doi.org/10.1039/C6CP04101A

    For each filename, a short description of what data it contains

This deposit includes Supplementary Data for the paper including:
- High-Resolution Molecular Dynamics Videos (.avi) "MD_video_trajectories.zip"
- Molecular Dynamics Trajectories (.xyz file format)  "xyz_files.tar.bz2" 
- Data files - Data extracted form the Trajectories, such as the charge distribution and  water orientation "data.tar.bz2" 
- Code used to analyse the data, and to plot the graphs in the publication  - "analysis_and_images.zip" 

   Acknowledgements:

The authors would like to thank Yasushi Shibuta for providing
High Performance Computing (HPC) Facilities at the University of
Tokyo. The authors acknowledge the use of the IRIDIS HPC Facility,
and associated HPC and linux support services at the University of
Southampton, in the completion of this work. This work was
supported by an EPSRC Doctoral Training Centre grant (EP/
G03690X/1) and the JSPS 2015 Summer Fellowship. Data supporting
this study are available from the University of Southampton
repository at http://dx.doi.org/10.5258/SOTON/401018.