iphreeqc/ex22

TITLE Example 22.--Compare experimental CO2 solubilities at high CO2 pressure 
   with Peng-Robinson calc'ns with fixed-volume gas_phase, 25, 50, 75, 100 oC.
SOLUTION 1
GAS_PHASE 1
    -fixed_volume
    CO2(g) 0
    H2O(g) 0
REACTION
 CO2 1; 0 27*1
INCREMENTAL_REACTIONS true

USER_GRAPH 1 Example 22, CO2 solubility at high pressures, 25 - 100C
 -plot_tsv_file co2.tsv
 -axis_titles "Pressure, in atmospheres" \
              "CO2 concentration, in moles per kilogram water"
 -axis_scale x_axis 0 500
 -axis_scale y_axis 0 2
 -connect_simulations false
 10 graph_x PR_P("CO2(g)")
 20 graph_y TOT("C(4)")
 -end
USER_GRAPH 2 Example 22, P-Vm of CO2 gas, 25 - 100C
 -headings 25C
 -axis_titles "Molar volume of CO2 gas, in liters per mole" \
              "CO2 pressure, in atmospheres"
 -axis_scale x_axis 0 1
 -axis_scale y_axis 0 500
 -connect_simulations false
 10 plot_xy gas_vm, gas_p symbol = None
 -end
END

USE solution 1
USE gas_phase 1
USE reaction 1
REACTION_TEMPERATURE 2
 50
USER_GRAPH 2
 -headings 50C
END

USE solution 1
USE gas_phase 1
USE reaction 1
REACTION_TEMPERATURE 3
 75
USER_GRAPH 2
 -headings 75C
END

USE solution 1
USE gas_phase 1
USE reaction 1
REACTION_TEMPERATURE 4
 100
USER_GRAPH 2
 -headings 100C
END