05 - Irreversible Reactions

This example corresponds to the “Example 5-Irreversible Reactions” from the Phreeqc manual. It can be retrieved from the Phreeqc Website.

This example demonstrates the irreversible reaction capabilities of PHREEQC in modeling the oxidation of pyrite.

Studies

This project contains 1 Studies.

  • PhreeqcStudy: “study_05 - Irreversible Reactions”

Db used: “Phreeqc_dat” database

TITLE Example 5.--Add oxygen, equilibrate with pyrite, calcite, and goethite.
SOLUTION 1  PURE WATER
        pH      7.0
        temp    25.0
EQUILIBRIUM_PHASES 1
        Pyrite          0.0
        Goethite        0.0
        Calcite         0.0
        CO2(g)         -3.5
        Gypsum          0.0     0.0
REACTION 1
        O2      1.0
        NaCl    0.5
        0.0     0.001   0.005   0.01   0.03   0.05
END

/n

Plots

This project contains 1 Plots.

  • Plot 1: “linePlot1”

linePlot1.svg

Tables

This project contains 1 Tables.

  • Table 1: named “table_ex5”

table_ex5.csv

O2 mmoles added

NaCl mmoles added

pH

pe

Pyrite

Goethite

Calcite

CO2(g)

Gypsum

SI Gypsum

0

0

8.279167284896

-4.942805343038

-3.143504744982e-05

1.095888713937e-05

-0.4933250366239

-0.48686730649189996

0

-6.125549477592

1

0.5

8.170257612636

-4.285562599849

-0.2666679056924

0.2666579421309

-0.9268598045757

0.1425972860645

0

-2.013127759434

5

2.5

7.979500868827

-3.96634422766

-1.3333350595039999

1.333313716538

-2.9359439497

2.396516478608

0

-1.049998149461

10

5

7.880731861242

-3.81202831882

-2.666669212141

2.66663447646

-5.557822804035999

5.106906129578

0

-0.6338170433593

30

15

7.725096845636

-3.573233878434

-8.000005599273

7.9999238566390005

-16.17377369758

15.823244392140001

0

-0.01178293979741

50

25

7.719675691659

-3.566112534781

-13.33333928644

13.333252241370001

-26.84150643738

26.48901063062

9.590590247848999

0