help with initial condition for H2 reduction

[amaury22]

I am relatively new to Phreeqc, and to learn, I gathered information from various sources and the manual to create my code. I wanted to study how H2 reacts in a medium with other minerals and salts. Although I don't encounter any errors, the output doesn't make much sense because all the values in the gas phase are zero. I believe it may have to do with the temperature and initial conditions, but I'm not sure how to proceed.

Code: [Select]

TITLE Mineral with H2

PHASES

H2(g)
        H2 = H2
        log_k -3.19
        delta_h 0.0

H2O(g)
        H2O = H2O
        log_k -4.27
        delta_h -9.82

CO2(g)
        CO2 = CO2
        log_k -2.87
        delta_h -3.94

H2S(g)
        H2S = H2S
        log_k 0.63
        delta_h -4.96

SOLUTION 1
    units mg/l
    temp 55
    pH 6.66
    density 1

    Na 104140 charge
    Ca 2365
    K 398
    Mg 836
    Sr 58
    Fe 2.5
    Al 5.8
    Cl 155610

    -water 1 # Defining water explicitly

EQUILIBRIUM_PHASES 1
    Quartz 0 51.06
    K-Feldspar 0 2.895         
    Hematite 0 3.537         
    Pyrite 0 3.826             
    Dolomite 0 1.457           
    Anhydrite 0 1.063         
    Calcite 0 1.375           
    Halite 0 0.961             
    Illite 0 0.358             
    Chlorite(14A) 0 0.0495     
    H2(g) 0 0       
    H2O(g) 0 0   


SAVE Solution 1 "solution.txt"
SAVE Equilibrium_Phases 1 "equilibrium_phases.txt"

USE Solution 1
USE Equilibrium_Phases 1


GAS_PHASE
    -fixed_pressure
    -pressure 81
    CO2(g) 1e-20
    H2S(g) 1e-20
    H2(g) 1e-20
    H2O(g) 1e-20

REACTION 1
    H2 1
    0 in 50 steps

SELECTED_OUTPUT
    -reset false
    -file graph_output.txt
    -simulation true
    -reaction true
    -totals Na Ca K Mg Sr Fe Al Cl H O
    -equilibrium_phases Quartz K-Feldspar Hematite Pyrite Dolomite Anhydrite Calcite Halite Illite Chlorite(14A)
    -si CO2(g) CH4(g) H2(g) H2O(g)
    -gas CO2(g) CH4(g) H2(g) H2O(g)


KNOBS
    -convergence_tolerance 1e-12
    -diagonal_scale 1e-8
    -iterations 1000

END