AquaEnv: an aquatic acid-base modelling environment in R

• Published in: Aquatic Geochemistry
• Main Authors: Hofmann, A.F., Soetaert, K., Middelburg, J., Meysman, F.J.R.
• Format: Article in Journal/Newspaper
• Language: English
• Published: 2010
• Subjects: Ocean acidification
• Online Access: https://www.vliz.be/imisdocs/publications/291740.pdf

AquaEnv is an integrated software package for aquatic chemical model generation focused on ocean acidification and antropogenic CO 2 uptake. However, the package is not restricted to the carbon cycle or the oceans: it calculates, converts, and visualizes information necessary to describe pH, related CO 2 air-water exchange, as well as aquatic acid-base chemistry in general for marine, estuarine or freshwater systems. Due to the fact that it includes the relevant acid-base systems, it can also be applied to pore water systems and anoxic waters. AquaEnv is implemented in the open source programming language R, which allows for a flexible and versatile application: AquaEnv 's functionality can be used stand-alone as well as seamlessly integrated into reactive-transport models in the R modelling environment. Additionally, AquaEnv provides a routine to simulate and investigate titrations of water samples with a strong acid or base, as well as a routine that allows for a determination of total alkalinity and total carbonate values from recorded titration curves using non-linear curve-fitting.