iphreeqc/ex22

TITLE 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 - 100 oC
 -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 - 100 oC
 -headings 25.oC
 -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 50.oC
END

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

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