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Buffers. Activity. ΔG mix = x A . (μ o A + RT . ln a A ) + x B . (μ o B + RT . ln a B ). μ o B. x A . μ o A + x B . μ o B. ∆ a G. RT . ln a B. μ B = μ o B + RT . ln a B. x A . RT . ln a A + x B . RT . ln a B. μ o A. ΔG mix = x A . μ A + x B . μ B. RT . ln a A.
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Activity ΔGmix = xA.(μoA + RT.ln aA) + xB.(μoB + RT.ln aB) μoB xA.μoA + xB.μoB ∆aG RT.ln aB μB = μoB + RT.ln aB xA.RT.ln aA + xB.RT.ln aB μoA ΔGmix = xA.μA + xB.μB RT.ln aA μoA + RT.ln aA = μA xB xA A B composition
Buffer µ0CO2 CO2 RT·ln(aCO2) ∆fG µCO2 µ0H2O H2O RT·ln(aH2O) xCO2 µH2O CO2 H2O Bulk composition
Buffer µ0CO2 CO2 RT·ln(aCO2) ∆fG µCO2 µ0H2O H2O CO2- buffer RT·ln(aH2O) µH2O CO2 H2O Bulk composition
Buffer µ0CO2 CO2 RT·ln(aCO2) ∆fG µ0H2O H2O RT·ln(aH2O) CO2- buffer µCO2 µH2O xCO2 CO2 H2O Bulk composition
Defining a O2-buffer 6 hematite = 4 magnetite + O2 6 Fe2O3 = 4 Fe3O4 + O2 O2 = 6 Fe2O3 - 4 Fe3O4
Defining a O2-buffer 6 hematite = 4 magnetite + O2 6 Fe2O3 = 4 Fe3O4 + O2 O2 = 6 Fe2O3 - 4 Fe3O4 Define new phase: “OHM” Composition: O(2) ∆aGOHM = 6·∆aGhem - 4·∆aGmt
Defining a O2-buffer 6 hematite = 4 magnetite + O2 6 Fe2O3 = 4 Fe3O4 + O2 O2 = 6 Fe2O3 - 4 Fe3O4 Define new phase: “OHM” Composition: O(2) ∆aGOHM = 6·∆aGhem - 4·∆aGmt OHM-BUFFER O(2) OHM *OHM ST 0.000 000000.000 000.000000 0.000000 CP1 0.000000 0.00000 0.00 0.0 COM HEMATITE[6]MAGNETITE[-4] 0 HEMATITE
Defining a O2-buffer 6 hematite = 4 magnetite + O2 6 Fe2O3 = 4 Fe3O4 + O2 O2 = 6 Fe2O3 - 4 Fe3O4 Define new phase: “OHM” Composition: O(2) ∆aGOHM = 6·∆aGhem - 4·∆aGmt code for special phase: *OHM (In input: use = .. ,OHM) composition abbreviation name OHM-BUFFER O(2) OHM *OHM ST 0.000 000000.000 000.000000 0.000000 CP1 0.000000 0.00000 0.00 0.0 COM HEMATITE[6]MAGNETITE[-4] 0 HEMATITE all = 0 phase to discard ∆aGOHM = 6·∆aGhem - 4·∆aGmt Combination of other phases Activity(not used)
Defining a O2-buffer 6 hematite = 4 magnetite + O2 6 Fe2O3 = 4 Fe3O4 + O2 O2 = 6 Fe2O3 - 4 Fe3O4 Define new phase: “OHM” Composition: O(2) ∆aGOHM = 6·∆aGhem - 4·∆aGmt code for special phase: *OHM (In input: use = .. ,OHM) composition abbreviation name OHM-BUFFER O(2) OHM *OHM ST 0.000 000000.000 000.000000 0.000000 CP1 0.000000 0.00000 0.00 0.0 COM HEMATITE[6]MAGNETITE[-4] 0 HEMATITE all = 0 phase to discard ∆aGOHM = 6·∆aGhem - 4·∆aGmt Combination of other phases Activity(not used) -OHM-BUFFER O(-2) -OHM *OHM ST 0.000 000000.000 000.000000 0.000000 CP1 0.000000 0.00000 0.00 0.0 COM OHM-BUFFER[-1] Negative buffer (no comment) If confusion is the first step to knowledge, I must be a genius. (Larry Leissner)
Defining a O2-buffer domino 600 4000 1 FE(1)O(1) *,OHM Input:
Defining a O2-buffer domino If hematite is not discarded .... Non-unique Equilibrium: Indifferent State OHM-Buffer ΔfG magnetite hematite FeO O2
Defining a O2-buffer domino 600 4000 0 SI(50.36)AL(30.54)FE(6.23)MG(2.46)CA(1.07)NA(4.62)K(4.73)O(160.965)H(60)O(30)O(20) * TN205 fin Input:
Defining a O2-buffer domino 600 4000 0 SI(50.36)AL(30.54)FE(6.23)MG(2.46)CA(1.07)NA(4.62)K(4.73)O(160.965)H(60)O(30)O(20) *,OHM TN205 fin Input:
Defining a O2-buffer domino SI(50.36)AL(30.54)FE(6.23)MG(2.46)CA(1.07)NA(4.62)K(4.73)O(160.965)H(60)O(30)O(20) with hematite-magnetite buffer TN205
Defining a O2-buffer 3 hematite + H2 = 2 magnetite + H2O 3 Fe2O3 + H2 = 2 Fe3O4 + H2O H2 = 2 Fe3O4 + H2O - 3 Fe2O3 Define new phase: “HHM” Composition: H(2) ∆aGHHM = 2·∆aGMt + ·∆aGH2O - 3·∆aGhem code for special phase: *OHM (In input: use = .. ,OHM) composition abbreviation name HHM-BUFFER H(2) HHM *HHM ST 0.000 000000.000 000.000000 0.000000 CP1 0.000000 0.00000 0.00 0.0 COM MAGNETITE[2] STEAM[1] HEMATITE[-3] 0 HEMATITE -HHM-BUFFER H(-2) -HHM *HHM ST 0.000 000000.000 000.000000 0.000000 CP1 0.000000 0.00000 0.00 0.0 COM HHM-BUFFER[-1] all = 0 phase to discard ∆aGOHM = 6·∆aGhem - 4·∆aGmt Combination of other phases Activity(not used) Negative buffer (no comment)