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ExampleConstruction: AI-generatedVerification: AI-generatedPipeline-generatedverified 2026-10-15 (gpt-6-luna, gpt-6.1-sol, and delegated Codex review/repair agents; see completed run evidence)
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A boundary reaction minimum with a one-sided extent

Physical scope

A constructed units-labelled tangent-cone optimization illustration with one zero-amount boundary; it makes no thermodynamic-equilibrium, material, or empirical claim.

Example

Use species A,B, one reaction column ν=(−1,1)T, and starting amounts nA0=0 mol, nB0=1 mol. The admissible extents are ξ∈[−1,0] mol because nA(ξ)=−ξ and nB(ξ)=1 mol+ξ must both be nonnegative. Let Φ0 have units joules and define an ambient affine potential on an open neighborhood of the nonnegative amount region by

Φ^(nA,nB)=Φ0+1 J−(1 J mol−1)nB.

Along n(ξ)=(−ξ,1 mol+ξ), set Φ(ξ):=Φ^(n(ξ))=Φ0−(1 J mol−1)ξ. Its derivative-defined amount coefficients are μA:=∂nAΦ^=0 and μB:=∂nBΦ^=−1 J mol−1, including at ξ∗=0 mol. This ambient extension is constructed optimization data only; no positive-mole thermodynamic chart at nA=0 or physical realization is asserted.

Facts & Assumptions

Given: The stoichiometric column, initial amounts, feasible interval, the C1 extension to a neighborhood of ξ∗, the units of Φ0, and the values of μA,μB. The extension and derivative data are constructed model premises.

[F1]

The feasible tangent cone for nonnegative stoichiometric amounts: At the active boundary, the feasible tangent directions are exactly those h with (νh)j≥0 for each active species, and the derivative of the composed potential is (νTμ)⋅h.

Verification

1.1givenF1algebra

Species A is active because nA(ξ∗)=0. By [F1], a tangent extent h is feasible exactly when (νh)A=−h≥0, or h≤0. The derivative data give νTμ=−μA+μB=−1 J mol−1, so DΦ(0)[h]=(νTμ)h≥0 for every feasible tangent extent. The units are joules because h is in moles.

2.1givenstep 1.1algebra∎

Directly, Φ(ξ)−Φ(0)=−(1 J mol−1)ξ≥0 for every feasible ξ∈[−1,0] mol, so the boundary point is a global minimum on this interval. The tangent-cone inequality is satisfied even though the interior equality νTμ=0 fails.

Depends on

Dependency tree · 2 levels

Sources