[AI-Assisted] feat(refinery): add hydrogen emissions receipt

[EvenSol]

Summary

Adds an immutable hydrotreating hydrogen-supply emissions receipt that applies explicit caller-owned emissions and carbon-price scenarios to the qualified external fresh-hydrogen utility balance.

Engineering contract

For fresh external H2 mass flow:

E_H2 = m_H2 * EF_H2 [kg CO2e/h]

C_CO2e = E_H2 * p_CO2e / 1000 [caller-owned currency units/h]

The caller supplies a non-negative hydrogen-supply emission factor in kg CO2e/kg fresh H2 and a non-negative carbon price in caller-owned currency units/tonne CO2e. Neither value is embedded as a NeqSim default, emissions dataset, market price, or fitted correlation.

Public-data qualification

The material basis composes the already qualified DOE/OEDI Big Hill hydrotreating receipts and their EIA, AIChE, and NIST evidence. With explicitly illustrative 10 kg CO2e/kg H2 and 100 currency-units/tonne CO2e scenario inputs, the 1000 kg/h case reports:

• fresh H2: 0.549093756 kg/h;
• indirect hydrogen-supply emissions: 5.49093756 kg CO2e/h and per tonne feed;
• caller-priced carbon cost: 0.549093756 currency units/h and per tonne feed.

No measured emissions factor, production-pathway selection, lifecycle dataset, or commodity-price dataset is introduced.

Acceptance coverage

• public Big Hill emissions and carbon-cost receipt;
• exact fresh-hydrogen mass-rate continuity;
• linear twofold scaling and invariant normalized intensities;
• zero-factor and zero-price behavior;
• immutable upstream identity;
• null, negative, non-finite input failure;
• executable documentation contract for units, scenario ownership, provenance, and stop boundary.

Frozen scope

Exactly five files:

• src/main/java/neqsim/thermo/characterization/RefineryHydrotreatingHydrogenEmissionsBalance.java
• src/test/java/neqsim/thermo/characterization/RefineryHydrotreatingHydrogenEmissionsBalanceTest.java
• docs/thermo/characterization/refinery_hydrotreating_hydrogen_emissions_balance.md
• docs/test_refinery_hydrotreating_hydrogen_emissions_balance_documentation.py
• docs/thermo/characterization/README.md

Validation

Java, Spotless, documentation, CodeQL, PaperLab, and full matrices are delegated to hosted exact-head CI and are not claimed before completion.

STATUS: MERGED EXTERNALLY — EXACT-HEAD CI AND FIVE-PATH MERGE-COMMIT VERIFICATION COMPLETE.

Boundaries and governance

This is indirect scenario bookkeeping only. It does not select a hydrogen-production pathway, establish a lifecycle boundary, predict direct process/furnace/compressor/electricity/steam emissions, model capture, calculate reaction heat or equipment duty, predict kinetics, catalyst behavior or phase equilibrium, perform optimization, demonstrate regulatory compliance, or establish a verified product carbon footprint. Human conversion-model and independent-maintainer review remain required.

Exact base: 30a6cbafda1780ca3f9ef9e18ab9b8f4eafd670d
Initial publication head: 8dc6a0a0c2b0c148ffbae9008105d58aec293bf1

Repaired exact head: 33594b0ba73720be2bc684691b9712427ea481f4

Capability contract: #3305 (comment)

Open autonomous occupancy after this external merge is 3, below the target of 20 and absolute ceiling of 24.

Refs #3305

Hosted formatting repair

The initial exact head failed pre-commit only because Spotless required deterministic reflow of the two new Java files. Hosted artifact 10635149008 was verified at SHA-256 ab91a9a6652ac9e3482e5519a86efa2e2450af21414f3392845c034661fe8e73 and applied byte-for-byte.

The formatted production blob is b69f2c1928947348fbd6f37b8f1a8c38af49eb0d; the formatted test blob is 08aed7288828ed7f6e219186e540daccaaed6c8e. No equation, assertion, documentation, provenance, frozen scope, or stop boundary changed. The single automatic repair allowance is consumed.

Repaired-head validation checkpoint

At exact head 33594b0ba73720be2bc684691b9712427ea481f4:

• Spotless, pre-commit, documentation search, CodeQL, PaperLab and the production-documentation workflow pass.
• Java 21 Ubuntu/Windows fast suites and all four Java 21 slow shards pass.
• Java 8/21 model specifications, Javadocs, agent references, source/data filtering and the benchmark gate pass.
• Java 8 Ubuntu and Windows platform suites pass.
• Before the external merge, the PR was open, draft and mergeable with no reviews or unresolved review threads.
• Frozen five-file scope is unchanged and has no Huldra/hydrate overlap.
• Autonomous occupancy was 3, below the target of 20 and absolute ceiling of 24.

EXACT-HEAD CI QUALIFIED — HUMAN ENGINEERING REVIEW REQUIRED.

Exact-head qualification — 2026-09-21

Exact repaired head: 33594b0ba73720be2bc684691b9712427ea481f4.

• Java 8/21 on Ubuntu and Windows pass.
• All four Java 21 slow-test shards, Java 8/21 model specifications, Javadocs, benchmark and agent-reference gates pass.
• Spotless, pre-commit, documentation search, CodeQL, PaperLab and production-documentation gates pass.
• Frozen five-file scope and scenario/provenance boundaries remain unchanged.
• Current master is 6746e5f185c69c995de3532040222f046dc552da; its five intervening commits are path-disjoint, so no synchronization was performed.
• Before the external merge, the PR was open, draft, mergeable and review-free, with no unresolved threads.
• Governing autonomous occupancy was 3, below the target of 20 and absolute ceiling of 24.

EXACT-HEAD CI QUALIFIED — HUMAN CONVERSION-MODEL AND INDEPENDENT-MAINTAINER REVIEW REQUIRED.

External merge audit — 2026-09-21

• Qualified head: 33594b0ba73720be2bc684691b9712427ea481f4
• Merge commit: f0c7436c6923766b1e22957b7075f650600457a7
• Java 8/21 Ubuntu and Windows, all four slow shards and all ancillary gates pass.
• All five frozen-scope paths match the merge commit byte-for-byte.
• Frozen scenario/provenance scope and the no-Huldra/hydrate boundary remained intact.
• Open autonomous occupancy is 3, below the target of 20 and absolute ceiling of 24.

MERGED EXTERNALLY — EXACT-HEAD CI AND FIVE-PATH MERGE-COMMIT VERIFICATION COMPLETE.

[EvenSol]

Publication checkpoint

• Exact base: 30a6cbafda1780ca3f9ef9e18ab9b8f4eafd670d
• Exact head: 8dc6a0a0c2b0c148ffbae9008105d58aec293bf1
• Frozen scope: five files, 364 additions, no deletions
• Status: VALIDATION PENDING EXACT-HEAD CI
• Autonomous occupancy: 7/10
• Draft-only; human conversion-model and independent-maintainer review required.

[EvenSol]

#3887 final exact-head qualification and external-merge audit

• Qualified head: 33594b0ba73720be2bc684691b9712427ea481f4
• Merge commit: f0c7436c6923766b1e22957b7075f650600457a7
• The initial head required only deterministic hosted Spotless reflow; no equation, assertion, documentation, provenance, frozen scope or stop boundary changed.
• Java 8/21 Ubuntu and Windows, all four Java 21 slow shards, Java 8/21 model specifications, Javadocs, benchmark and agent-reference gates pass.
• Spotless, pre-commit, documentation search, CodeQL, PaperLab and production-documentation gates pass.
• All five frozen-scope paths match the merge commit byte-for-byte.
• Frozen scenario/provenance scope and the no-Huldra/hydrate boundary remained intact.
• Open autonomous occupancy is 3, below the target of 20 and absolute ceiling of 24.
• The merge occurred externally on 2026-09-21; this workflow performed no merge.

MERGED EXTERNALLY — EXACT-HEAD CI AND FIVE-PATH MERGE-COMMIT VERIFICATION COMPLETE.

[EvenSol]

#3887 final exact-head qualification and external-merge audit

• Qualified head: 33594b0ba73720be2bc684691b9712427ea481f4
• Merge commit: f0c7436c6923766b1e22957b7075f650600457a7
• The initial head required only deterministic hosted Spotless reflow; no equation, assertion, documentation, provenance, frozen scope or stop boundary changed.
• Java 8/21 Ubuntu and Windows, all four Java 21 slow shards, Java 8/21 model specifications, Javadocs, benchmark and agent-reference gates pass.
• Spotless, pre-commit, documentation search, CodeQL, PaperLab and production-documentation gates pass.
• All five frozen-scope paths match the merge commit byte-for-byte.
• Frozen scenario/provenance scope and the no-Huldra/hydrate boundary remained intact.
• Open autonomous occupancy is 3, below the target of 20 and absolute ceiling of 24.
• The merge occurred externally on 2026-09-21; this workflow performed no merge.

MERGED EXTERNALLY — EXACT-HEAD CI AND FIVE-PATH MERGE-COMMIT VERIFICATION COMPLETE.

[EvenSol]

Post-merge exact-head audit — 2026-09-21

PR #3887 was externally squash-merged as f0c7436c6923766b1e22957b7075f650600457a7 from qualified head 33594b0ba73720be2bc684691b9712427ea481f4.

• All five frozen files match the qualified head byte-for-byte.
• Java 8/21 on Ubuntu and Windows, all four Java 21 slow shards, Javadocs, model specifications, benchmark, CodeQL, Spotless, pre-commit, documentation search, PaperLab, production-documentation and agent-reference gates passed.
• No submitted human review or unresolved review thread is recorded. The required conversion-model and independent-maintainer review remains a governance exception.
• Current master is 03de75e5965263a596ccd4c08f84a947dc3d56ef; its two later commits are confined to safety source-term paths and do not alter the five refinery blobs.

POST-MERGE AUDIT COMPLETE — QUALIFIED BLOBS INTACT; MISSING HUMAN REVIEW RECORDED.