Release notes

Version 0.1.0

First official release of the pypH package on PyPI. The main features of the release are:

  • Definition of Acid class as general object to represent pH-active chemical system

  • Definition of Spectator class as general object to represent pH-inactive chemical system

  • Definition of Species abstract class and derivatives as a general representation of a species derived from a given system

  • Definition of a System class handling in-solution chemistry and capable of plotting acid-base logarithmic diagrams and titration curves (still work in progress)

Version 0.1.1

Update to the 0.1.0 release implementing the following minor changes:

  • When plotting logarithmic diagrams the y axis now shows the C_i label instead of log(C_i). This is more correct since the scale is shown in logarithmic mode and not plotted as logarithmic units.

  • Added total_concentration property to the Acid class to give the user easy access to the total conentration.

  • Introduction of the plot_distribution_diagram function to plot distribution diagrams.

Version 0.1.2

Update to the 0.1.1 release implementing the following minor changes:

  • Introduction of the concentration_derivative_oxonium in the Acid class returning the derivative of the concentration of a given deprotonation product as a function of the oxonium \(H_3O^+\) concentration.

  • Introduction of the plot_buffer_capacity_diagram function to represent the buffer capacity of an acid/base system.