iphreeqc/ex2b

TITLE Calculate gypsum/anhydrite transitions, 30 - 170 oC, 1 - 1000 atm
      Data in ex2b.tsv from Blount and Dickson, 1973, Am. Mineral. 58, 323, fig. 2.
PRINT; -reset false
SOLUTION 1
EQUILIBRIUM_PHASES
Gypsum
REACTION_TEMPERATURE
 30 90 in 10
USER_GRAPH 1 Example 2B, (P, T)-dependent solubilities of Gypsum and Anhydrite
 -plot_tsv_file ex2b.tsv
 -axis_titles "Temperature, in degrees celsius" "Solubility, in moles per \
kilogram water"
 -axis_scale x_axis 30 170
 -axis_scale y_axis 1e-3 0.05 auto auto log
 10 plot_xy tc, tot("Ca"), color = Red, symbol = None
 -end
END # 1st simulation

USE solution 1 
USE equilibrium_phases 1
USE reaction_temperature 1
REACTION_PRESSURE 2
 493
USER_GRAPH
 10 plot_xy tc, tot("Ca"), color = Red, symbol = None
END

USE solution 1 
USE equilibrium_phases 1
USE reaction_temperature 1
REACTION_PRESSURE 3
 987
USER_GRAPH
 20 plot_xy tc, tot("Ca"), color = Red, symbol = None
END # 2nd simulation

USE solution 1 
EQUILIBRIUM_PHASES 4
Anhydrite
REACTION_TEMPERATURE 4
 50 170 in 10
USER_GRAPH
 10 plot_xy tc, tot("Ca"), color = Green, symbol = None
END

USE solution 1 
USE equilibrium_phases 4
USE reaction_temperature 4
USE reaction_pressure 2
USER_GRAPH
 10 plot_xy tc, tot("Ca"), color = Green, symbol = None
 -end
END

USE solution 1 
USE equilibrium_phases 4
USE reaction_temperature 4
USE reaction_pressure 3
USER_GRAPH
 10 plot_xy tc, tot("Ca"), color = Green, symbol = None
 -end
END