Solve: chemical equilibrium errors at low temperature when ionized species may be present#1109
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AlbertoCuadra merged 1 commit intomasterfrom Jan 15, 2026
Merged
Solve: chemical equilibrium errors at low temperature when ionized species may be present#1109AlbertoCuadra merged 1 commit intomasterfrom
AlbertoCuadra merged 1 commit intomasterfrom
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… ionized species as possible products
AlbertoCuadra
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This commit fixes a low-temperature equilibrium failure when ionized species are enabled in
EquilibriumSolverclass.The issue occurred when all ionized species were removed from the composition solution, leaving a mixture that did not strictly satisfy mass conservation. This produced an inconsistent constraint set and triggered unstable/singular behavior in the Newton iterations.
The
EquilibriumSolvernow re-runs the equilibrium calculation after ion pruning to ensure mass conservation is enforced again, restoring a well-posed Newton system and stable convergence.