MnS formation
Reaction:
Mn(g) + H2S(g) <=> MnS(condensed) + H2(g)
All plotted functions return natural log Q, with each partial pressure expressed numerically in Pa. The net pressure exponent is 1; condensed-phase activity is one. See TP and UV equilibrium with background gases for the signed quotient and H2 treatment.
Data, provenance and limitations
Metal saturation partial pressure is not the full reaction quotient. The comparison reconstructs Q using log10 X_H2S = -4.56 and X_H2 = 0.84 at solar metallicity, giving log10(X_H2S/X_H2) = -4.484279286. Its 800–1400 K plotting interval is not a verified validity range. No unconditional coefficient correction follows from this assumption. For the PR natural-log Mn fit, the derivative is 54823/T²; multiplying by ln(10) again was an error. This derivative correction does not verify the fitted coefficients.
The coefficient audit was performed on 2026-10-07. Primary data links:
Morley et al. (2012), Eqs. 9, 12, 15 (metal partial pressures)
Visscher et al. (2006), Eqs. 16, 25–30 (solar sulfur chemistry)
Legacy values are transcribed from src/vapors/vapor_functions.h. PR-only candidates are transcribed from PR 108, revision 17ba9fb88bf1e50b06b5721b9bb604a1a0691395. An unresolved provenance label means the fit has not been certified by this audit.
Coefficient conventions
ideal parameters are [T3, P3, beta_liquid, gamma_liquid, beta_solid, gamma_solid]: L = ln(P3) + beta(1 - T3/T) - gamma ln(T/T3). The solid branch is selected at T <= T3. antoine parameters are [A, B, C]: L = ln(100000) + ln(10)(A - B/(T+C)). linear parameters are [A, B, base]: L = ln(base)(A - B/T). Temperatures and B/C offsets are in kelvin. table contains [temperatures, ln Q] with linear interpolation used only for display.
Formula |
Form |
Parameters |
Plot interval (K) |
Status |
|---|---|---|---|---|
PR108 (unverified) |
linear |
[27.58, 54823, 2.718281828459045] |
800–1400 |
comparison only; not registered |
conditional solar reconstruction |
linear |
[12.04772071393812, 23810, 10] |
800–1400 |
derived under fixed solar H2S/H2; not a published Q fit |
The ratio reference is PR108 (unverified). Curves are compared only where their displayed intervals overlap; disagreement is not an uncertainty estimate.
Formula |
T (K) |
ln Q (Pa convention) |
|---|---|---|
PR108 (unverified) |
800 |
-40.94875 |
PR108 (unverified) |
1100 |
-22.25909091 |
PR108 (unverified) |
1400 |
-11.57928571 |
conditional solar reconstruction |
800 |
-40.78978671 |
conditional solar reconstruction |
1100 |
-22.09959885 |
conditional solar reconstruction |
1400 |
-11.4194915 |
No verified production formula is registered for this family. Its curves above are comparison-only.
Isolated equilibrium validation
This reaction is tested independently with its balanced stoichiometry and explicit gas/solid phases. The native TP and UV solvers are compared with a 100-step bracketed scalar extent solve. Manufactured caloric data and a consistent inline equilibrium curve isolate solver correctness; these results do not validate the physical fit above. See the algorithm page for the exact construction and acceptance thresholds.
Mode |
Initial state |
Runs |
Max state error |
Max residual violation |
Max conservation error |
Max energy error |
Status |
|---|---|---|---|---|---|---|---|
TP |
condense |
4 |
1.530e-07 |
4.139e-06 |
3.176e-08 |
0.000e+00 |
pass |
TP |
nucleate |
4 |
1.509e-07 |
4.082e-06 |
6.925e-09 |
0.000e+00 |
pass |
TP |
evaporate |
4 |
7.343e-09 |
0.000e+00 |
7.343e-09 |
0.000e+00 |
pass |
TP |
clear |
4 |
7.224e-09 |
0.000e+00 |
7.224e-09 |
0.000e+00 |
pass |
TP |
zero_h2 |
4 |
1.284e-08 |
4.102e-07 |
1.147e-08 |
0.000e+00 |
pass |
TP |
trace_h2 |
4 |
1.789e-08 |
2.755e-07 |
1.227e-08 |
0.000e+00 |
pass |
TP |
absent_reactants |
4 |
1.382e-08 |
0.000e+00 |
1.382e-08 |
0.000e+00 |
pass |
TP |
rich_h2 |
4 |
2.596e-08 |
0.000e+00 |
2.596e-08 |
0.000e+00 |
pass |
UV |
condense |
4 |
4.768e-07 |
1.042e-06 |
4.768e-07 |
3.846e-07 |
pass |
UV |
nucleate |
4 |
2.861e-07 |
1.764e-06 |
2.861e-07 |
1.676e-07 |
pass |
UV |
evaporate |
4 |
7.153e-09 |
0.000e+00 |
7.153e-09 |
1.098e-07 |
pass |
UV |
clear |
4 |
2.384e-10 |
0.000e+00 |
2.384e-10 |
6.095e-08 |
pass |
UV |
zero_h2 |
4 |
9.537e-08 |
4.455e-07 |
9.537e-08 |
1.099e-07 |
pass |
UV |
trace_h2 |
4 |
1.907e-07 |
6.455e-07 |
1.907e-07 |
2.755e-07 |
pass |
UV |
absent_reactants |
4 |
9.537e-08 |
0.000e+00 |
9.537e-08 |
5.904e-08 |
pass |
UV |
rich_h2 |
4 |
6.676e-07 |
0.000e+00 |
6.676e-07 |
1.763e-07 |
pass |
Each marker is a recorded native solve. TP amounts are restored using conserved helium; UV amounts are concentrations.
Reproduce this reaction independently:
python docs/reaction_validation.py --reaction mns --cuda --output /tmp/mns.json
pytest -q tests/test_reaction_equilibrium.py -k mns