Tags
activity coefficient models, activity coefficients, chemical mining, chemistry, chemistry calculators, chemistry tools, computational chemists, electrochemistry
This is a new tool available at
http://www.minerazzi.com/tools/activity-coefficients/calculator.php
If you are into chemical data mining, this post might interest you.
This new Minerazzi tool easily solves activity coefficient models for a missing term.
Thus the tool allows you to cross-map activity coefficients to ionic strengths and vice versa using the following models:
Debye-Hückel Limiting Law
Debye-Hückel Extended Limiting Law
Güntelberg
Davis
Truesdell-Jones
The tool , written in PHP, was inspired in the WATEQF program originally written in FORTRAN (https://www.nrc.gov/docs/ML0331/ML033170395.pdf).
Recent versions of that program are available for download from the U.S. Geological Survey site at https://wwwbrr.cr.usgs.gov/projects/GWC_chemtherm/software.htm
Chemistry researchers, teachers and students can benefit from this tool, which is part of an ongoing effort of making available online scientific research tools across different disciplines.
04-05-2017 Update: Additional content and literature references added.
