Ion pairing calculation python code

Python code for calculating ion paring within the Debye Huckel model. The electrostatic energy is compared to the thermal kinetic energy to determine the fraction of ions that are paired
Type
Collection
Title
Ion pairing calculation python code
Brief Title
Ion pairing code
Collection Type
Software
Access Privileges
Colloid and Interfaces Group
DOI - Digital Object Identifier
10.25911/5ee05544ca5e2
Metadata Language
English
Data Language
English
Significance Statement
This is the python code used to produce the data in Table 2 and the plots in the supplementary information
Brief Description
Python code for calculating ion pairing as a function of concentrations
Full Description
Python code for calculating ion paring within the Debye Huckel model. The electrostatic energy is compared to the thermal kinetic energy to determine the fraction of ions that are paired
Contact Email
vince.craig@anu.edu.au
Contact Address
Dept of Applied Maths 84 Garran Road, Applied Mathematics Building The Australian National University ACT 2600 Australia
Contact Phone Number
+61432832431
Principal Investigator
Vincent Craig
Collaborators
Drew Parsons; Guangming Liu
Fields of Research
030603 - Colloid and Surface Chemistry; 020405 - Soft Condensed Matter
Keywords
Electrostatic decay length; Polyelectrolyte; Reentrant; Ion pairing; ion-ion correlations
Date of data creation
2020
Year of data publication
2020
Creator(s) for Citation
Vince
Craig
Publisher for Citation
The Australian National University Data Commons
Access Rights Type
Open
Licence Type
CC-BY-NC-SA - Attribution-NonCommercial-SharedAlike (Version 4.0)
Retention Period
Indefinitely
Data Size
8.05 KB
Data Management Plan
No
Status: Published
Published to:
  • Australian National University
  • Australian National Data Service
Related items