Skip to content
This repository has been archived by the owner on Apr 24, 2023. It is now read-only.

lachaelree/mixing-rules

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

3 Commits
 
 
 
 

Repository files navigation

Self-proposed mixing rules for activity coefficient of electrolytes

Four different functions representing four self proposed mixing rules to predict the activity coefficient of single salt-double solvent (e.g. LiPF6 in 40% Ethanol 60% water solvent)

Why do most papers look at double solvents?

Using two solvents in practice is better than using only one pure solvent (getting the best of both worlds and negating the drawbacks of using a single pure solvent).

Most literature that deal with single salt-double solvent electrolytes present activity coefficient data in terms of different ratios (e.g. pure ethanol, 1:9 ethanol:water, 2:8 ethanol:Water, and so on). However, some papers might not have data for some proportions that we want (e.g. we want to know the activity coefficient of 1:1 EC:EMC but papers only have pure EC and pure EMC data, or we want to know 4:6 EC:EMC but there's only literature data on 2:8 or 7:3 EC:EMC).

This repo contains 4 different mixing rules that calculate/predict what activity coefficient of mixed solvents are from pure solvent values (or other propoertions of mized solvent values). The second mixing rules, the Mole Fraction average, is the most accurate of the four.

About

No description, website, or topics provided.

Resources

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published