README.txt

MyAMI Specific Ion Interaction Model (Version 1.0):

MyAMI is Python code to calculate thermodynamic pK's and conditional pK's

Author: Mathis P. Hain -- m.p.hain@soton.ac.uk

Reference: Hain, M.P., Sigman, D.M., Higgins, J.A., and Haug, G.H. (2015) The effects of secular calcium and magnesium concentration changes on the thermodynamics of seawater acid/base chemistry: Implications for Eocene and Cretaceous ocean carbon chemistry and buffering, Global Biogeochemical Cycles, 29, doi:10.1002/2014GB004986

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HOW TO: Calculate the parameters that define temperature and salinity dependences of the conditional equilibrium constants ? at arbitrary [Ca2+] and [Mg2+].

(1) open command line (2) navigate to folder (cd ~/path/to/folder/with/MyAMI/code) (3) run MyAMI (python MyAMI_V1.py) (4) follow instructions (5) output is saved to file [OUTPUT_INTERACTIVE.txt]

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HOW TO: Call Python code from MATLAB to calculate conditional and thermodynamic equilibrium constants at a given [Ca2+], [Mg2+], temperature and salinity.

(1) open Matlab (2) navigate to folder that contains [PyMyAMI.m] (3) >>PITZERpath = '~/path/to/folder/of/MyAMI/code/Pitzer.py'; (4) >>T = 20; (5) >>S = 35; (6) >>Ca = 0.0102821 * S/35; (7) >>Mg = 0.0528171* S/35; (8) >>B = xB*S / 1.80655 * 0.0000219;
(9) >>[K] = PyMyAMI(PITZERpath,num2str(T),num2str(S),num2str(Ca),num2str(Mg));

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REQUIREMENTS: (1) you need Python (2.7.5 verified); (2) you need the standard Python modules ?NumPy? and ?SciPy?; (3) have fun.