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Add executed CO₂ injection well integrity companion for NeqSim #4509 - #195

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@EvenSol EvenSol commented Oct 22, 2026

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Adds a reproducible Colab companion to equinor/neqsim#4509 and SPE-229116-MS, following fluid properties through injection hydraulics, impurity partitioning, shutdown screening and explicit elastic thermal loading.

Open the executed notebook in Colab.

The study includes 90 PR/SRK versus Span–Wagner property comparisons, four composable ProcessSystem well cases, 20/40/80-segment sensitivity, analyzer/direct-pipe consistency, a 71-point impurity scan, native shutdown/analytical checks, five retained figures and CSV/JSON/ZIP exports. README, notebook catalog and a dedicated maintenance-ledger shard are updated.

Validation: all 12 code cells executed in order from a fresh isolated Python 3.12.14 process using a clean source-built NeqSim 3.26.0 JAR at master commit cb94f1d10cbc12f5aa6452c095fe58c8ff44f3ae; Java 17.0.20, JPype1 1.7.1, CoolProp 7.2.0. Maven package passed after prepare_maven.py bootstrap. Six notebook-checker unit tests passed; strict execution/main-source validation and all 330 relative catalog links passed. nbconvert 7.17.2 + Chromium 134 + MathJax 3.2.2 rendered all 22 cells, 25 math expressions, five figures and eight result tables; all visually inspected with no malformed or clipped results.

Results: zero steady mass imbalance; component residual 1.13e-16; 40→80 mesh changes 0.0717 bar and 0.0438 K; analyzer/direct difference zero. Shutdown thermal analytical error <6e-14 K and timestep endpoint change <2e-13 K. PR/SRK maximum density deviations are 12.86%/15.38% on this grid and are explicitly reported rather than hidden.

Limitations: synthetic inputs; full paper and numerical reference cases unavailable, so no paper reproduction is claimed. The native shutdown model assumes its initial temperature and fixed-density hydrostatics (initial BHT differs from the flowing result by 12.23 K). Conservative dynamics/initialization remain tracked in equinor/neqsim#2911 and equinor/neqsim#4228. The elastic calculation is a declared thermal-loading sensitivity, with no integrity qualification, safety factor or solid-CO₂ prediction. The automatic Colab network/build path has not been exercised; the checked local-build reuse path was used for execution.

Documentation impact: new user-facing educational workflow, assumptions, units, provenance and limitations documented in the notebook; README and catalog links added. No Java library changes. The broader research issue remains open.

VALIDATION PENDING CI: repository-wide Notebook integrity is left to the existing GitHub Actions workflow; it was not run locally on the partial checkout.

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