The geochemistry module: tests and examples

The theory behind the geochemistry module has been described in the theory page. It is hoped that the descriptions of tests and examples found below will help users actually implement their geochemical models.

The geochemistry module's code is accompanied by over 350 tests, ranging from simple unit tests to more complicated benchmarks such as some of those listed below. Code coverage details may be found here.

Many of the tests and examples are drawn from the popular textbook Bethke (2007). The textbook is not reproduced here, so if readers are interested in an example's background, details or an analysis of the results they should refer to Bethke (2007). To help new geochemistry module users, many tests and examples are also provided with a Geochemists Workbench (GWB) equivalent. GWB is a "gold-standard" geochemistry solver so its results also act to benchmark the geochemistry module. There are small input-file related differences between GWB and geochemistry that must be considered when benchmarking to full precision, but in real models their impact is likely to be much less than the errors in the database and experimental observations.