Advanced Geochemistry III

（地球化学特論III）
Chapter 2. Acids and bases
2-1 di-proton acid
 pH as a master variable;
(1) Di-proton acid
Equilibrium diagram for an aqueous carbonate system

H2CO3 = H+ + HCO3-
HCO3- = H+ + CO32-
Carbonate-related species: H2CO3, HCO3-, CO32-

Which chemical species are predominant?

Change in chemical species are pH-dependent.

 pH as a master variable;
(1) Di-proton acid
H2CO3 = H+ + HCO3-
HCO3- = H+ + CO32-

1. Species

2. Constant

3. Concentration condition
pH as a master variable;
(1) Di-proton acid
a (mole fraction)
aH2CO3 = [H2CO3] / CTotal
aHCO3 = [HCO3-] / CTotal
aCO3 = [HCO32-] / CTotal
aH2CO3 + aHCO3 + aCO3 = 1
pH
Problem 1
Calculate mole fraction of all chemical species (H2CO3, HCO3- and CO32-).
The calculation processes should be clarified.

Submit to Webclass (Advanced Chemistry III, assignment (di-proton acid)).

If you cannot set up mole fraction equations, I will give movie for hint.
(At first, please try without hint)
 pH as a master variable;
(1) Di-proton acid

Problem 2
Calculate pH values at points A and B.

The calculation processes should be clarified.

A B
Submit to Webclass (Advanced Chemistry III,
assignment (Chapter 2-1)).
Calculate pH values at points A and B.
 pH as a master variable;
(1) Di-proton acid
Equilibrium diagram (mole fractions) for several di-proton acids
− +
[𝐻𝐴 ][𝐻 ]
H2 A = H+ + HA- K1 =
[𝐻2𝐴]
− +
2
HA- = H+ + A2- 𝐴 [𝐻 ]
K2 = − A2-: CO32-, S2-, SO42-
[𝐻𝐴 ]
 pH as a master variable;
Equilibrium calculation using graphical approach (1)
Problem
Make equilibrium diagrams (mole fractions)
for hydrogen sulfide (H2S) and sulfuric acid (H2SO4) system.
H2S: K1 = 10-7, K2 = 1.26 x 10-13
H2SO4: K1 = 105, K2 = 1.02 x 10-2

Problem 3
Make diagrams of carbonic acid, hydrogen sulfide and sulfuric acid.

Submit your Excel file to Webclass (Advanced Chemistry III, assignment (di-proton acid)).