AquaEnv - an Aquatic acid-base modelling Environment in R (THESIS VERSION)

AquaEnv is an integrated software package for aquatic chemical model generation focused on ocean acidification and antropogenic CO2 uptake. However, the package is not restricted to the oceans: it calculates, converts, and visualizes information necessary to describe pH, related CO2 air-water exchan...

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Bibliographic Details
Main Authors: Hofmann, A.F., Soetaert, K., Middelburg, J.J., Meysman, F.J.R.
Format: Book Part
Language:English
Published: 2009
Subjects:
R
Online Access:https://dspace.library.uu.nl/handle/1874/44317
Description
Summary:AquaEnv is an integrated software package for aquatic chemical model generation focused on ocean acidification and antropogenic CO2 uptake. However, the package is not restricted to the oceans: it calculates, converts, and visualizes information necessary to describe pH, related CO2 air-water exchange, as well as aquatic acid-base chemistry in general for marine, estuarine or freshwater systems. AquaEnv is implemented in the open source programming language R and its functionality can be seamlessly integrated into reactive-transport models. 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.