{ "schema": "cheme/maturity-report/v1", "kind": "maturity-report", "core_version": "1.2.1", "checked_at": "2026-11-01T05:34:24Z", "level": "balanced", "level_index": 2, "evaluated_through": "engineering", "library_maturity": "screening", "levels": [ { "id": "sourced", "title": "Sourced process description", "library_maturity": "concept", "status": "pass", "reached": true, "requirements": [ { "id": "sourced.flowsheet", "title": "process flowsheet loads", "status": "pass", "required": true, "rule": "cheme.maturity-sourced-flowsheet", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "sourced.design-basis", "title": "design basis: capacity, feeds and products", "status": "pass", "required": true, "rule": "cheme.maturity-sourced-design-basis", "file": "process/design-basis.yaml", "line": null, "detail": "", "hint": "" }, { "id": "sourced.boundary", "title": "feeds and products declared; feed flows and compositions given with a source", "status": "pass", "required": true, "rule": "cheme.maturity-sourced-boundary", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" } ] }, { "id": "balanced", "title": "Balanced conceptual PFD", "library_maturity": "screening", "status": "pass", "reached": true, "requirements": [ { "id": "balanced.process-rules", "title": "no error in the process rules (units, ports, reactions, reactors)", "status": "pass", "required": true, "rule": "cheme.maturity-balanced-process-rules", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "balanced.balances-evaluable", "title": "every block and step balance evaluable in every case (mass and components or elements)", "status": "pass", "required": true, "rule": "cheme.maturity-balanced-balances-evaluable", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "balanced.balances-closed", "title": "every balance closes within the flowsheet's explicit tolerance", "status": "pass", "required": true, "rule": "cheme.maturity-balanced-balances-closed", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "balanced.model-basis", "title": "every reactor and separator rests on a sourced model or sourced specified values", "status": "pass", "required": true, "rule": "cheme.maturity-balanced-model-basis", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "balanced.energy-closure", "title": "energy balances of the blocks and steps (stream enthalpies against energy streams)", "status": "fail", "required": false, "rule": "cheme.maturity-balanced-energy-closure", "file": "process/flowsheet.yaml", "line": null, "detail": "imbalance: PRD (design), K4101 (design), K4102 (design)", "hint": "check the duties and the calculated enthalpies of those nodes" } ] }, { "id": "predictive", "title": "Converged predictive simulation", "library_maturity": "screening", "status": "fail", "reached": false, "requirements": [ { "id": "predictive.simulation-spec", "title": "process/simulation.yaml translates into a simulator model for every case", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-simulation-spec", "file": "process/simulation.yaml", "line": null, "detail": "", "hint": "" }, { "id": "predictive.run-record", "title": "a run record for every case", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-run-record", "file": "process/simulation-run.json", "line": null, "detail": "", "hint": "" }, { "id": "predictive.current", "title": "every run record is current: simulated from the inputs as they are (fingerprints)", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-current", "file": "process/simulation-run.json", "line": null, "detail": "", "hint": "" }, { "id": "predictive.converged", "title": "every recorded run converged without errors", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-converged", "file": "process/simulation-run.json", "line": null, "detail": "", "hint": "" }, { "id": "predictive.solver", "title": "simulator, simulator version, property package and core version recorded", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-solver", "file": "process/simulation-run.json", "line": null, "detail": "", "hint": "" }, { "id": "predictive.coverage", "title": "every step simulated: none excluded and left at specified values", "status": "fail", "required": true, "rule": "cheme.maturity-predictive-coverage", "file": "process/simulation.yaml", "line": null, "detail": "excluded: C1102", "hint": "their streams stay specified; simulate them to claim predictive" }, { "id": "predictive.balances", "title": "physical validity: the balances of the simulated flowsheet close within tolerance", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-balances", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "predictive.model-basis", "title": "every reactor and separator predicted by a model: specified splits, conversions and stream values cap the level at balanced", "status": "fail", "required": true, "rule": "cheme.maturity-predictive-model-basis", "file": "process/simulation.yaml", "line": null, "detail": "specified: V2101 (component-split)", "hint": "replace specified splits and conversions by predictive unit models" }, { "id": "predictive.property-package", "title": "the property package is supported and recommended by a recorded method selection (or a recorded substitution)", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-property-package", "file": "process/simulation.yaml", "line": null, "detail": "", "hint": "" }, { "id": "predictive.property-regime", "title": "the property methods are used inside their declared regimes", "status": "fail", "required": true, "rule": "cheme.maturity-predictive-property-regime", "file": "process/simulation.yaml", "line": null, "detail": "simulation.yaml sets interaction parameters (AR-O2); the claim holds for DWSIM's own, case design, feed S1: component 124-38-9 is not in the claim, case design, feed S1: component 7732-18-5 is not in the claim and 23 more", "hint": "keep every feed and stream inside the claimed boxes of the package (thermodynamics/methods.yml, benchmarked by tests/test_process_simulate_property_package.py), or extend the benchmark" }, { "id": "predictive.stream-properties", "title": "every stream with calculated properties lies inside the benchmarked claim of the process's property package", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-stream-properties", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "predictive.energy-closure", "title": "the simulated plant's enthalpy flows close with its heat and work within tolerance", "status": "unsupported", "required": true, "rule": "cheme.maturity-predictive-energy-closure", "file": "process/simulation-run.json", "line": null, "detail": "the plant closure is not evaluated (case design: unsupported: V2101: the sign of the component separator's energy imbalance is not established; C3102: the sign of the column top's residual duty is not established): a reacting unit without a heat-of-formation basis (its property package's enthalpy reference is not verified, or the run did not report DWSIM's formation enthalpies), or a unit whose duty sign is not established, so energy conservation cannot be shown", "hint": "satisfied once every unit's closure is evaluable: reactors on a verified package (simulation/energy.py FORMATION_PACKAGES) in a current run; no component separator or column top without condenser" }, { "id": "predictive.exchangers", "title": "no exchanger temperature cross or approach below its minimum, every utility level can serve its duty", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-exchangers", "file": "process/simulation-run.json", "line": null, "detail": "", "hint": "" }, { "id": "predictive.formation-data", "title": "the simulated reaction heat agrees with the formation enthalpies declared in process/materials.yaml", "status": "pass", "required": true, "rule": "cheme.maturity-predictive-formation-data", "file": "process/simulation-run.json", "line": null, "detail": "no reacting unit in the simulated plant", "hint": "" } ] }, { "id": "engineering", "title": "Preliminary/basic engineering package", "library_maturity": "basic-engineering", "status": "pass", "reached": false, "requirements": [ { "id": "engineering.equipment-list", "title": "an equipment list", "status": "pass", "required": true, "rule": "cheme.maturity-engineering-equipment-list", "file": "equipment/equipment-list.yaml", "line": null, "detail": "", "hint": "" }, { "id": "engineering.datasheets", "title": "a valid, final datasheet for every equipment item", "status": "pass", "required": true, "rule": "cheme.maturity-engineering-datasheets", "file": "equipment/datasheets/", "line": null, "detail": "", "hint": "" }, { "id": "engineering.pid", "title": "P&IDs without errors", "status": "pass", "required": true, "rule": "cheme.maturity-engineering-pid", "file": "pid/", "line": null, "detail": "", "hint": "" }, { "id": "engineering.process-links", "title": "every flowsheet link resolves against the lists and the sheets", "status": "pass", "required": true, "rule": "cheme.maturity-engineering-process-links", "file": "process/flowsheet.yaml", "line": null, "detail": "", "hint": "" }, { "id": "engineering.consistency", "title": "datasheet duties and sizes cross-checked against the current simulation", "status": "unsupported", "required": false, "rule": "cheme.maturity-engineering-consistency", "file": "equipment/datasheets/", "line": null, "detail": "not cross-checked by this command", "hint": "" } ] } ], "cases": [ { "id": "design", "description": "Design case: the D-099 design air (30 C, 80 % RH, 1.013 bara, 85,840 Nm3/h dry; design specification), ~83 % O2 recovery (D-066, ASSUMED)", "default": true, "balanced": true, "simulated": true } ], "assumptions": { "design_basis": [ "ASSUMED O2 recovery ~83 % (D-066: no argon column, 99.5 % purity, GAN drawn from the HP column (13 % of the HP column air), 13 % Lachmann air; was 94 %, which the simulated double column does not reach).", "ASSUMED MAC discharge 5.8 bara, HP column top 5.4 bara, LP column top 1.3 bara.", "ASSUMED refrigeration by booster-braked expander, Lachmann air to the LP column, ~11,500 Nm3/h, ~198 kW (D-061); the boosted air enters the main exchanger at 15 C (D-067).", "ASSUMED regeneration gas ~14,600 Nm3/h waste N2 (D-066), heated electrically to 200 C.", "ASSUMED DCAC air outlet 12 C via chilled water from an N2 evaporative cooler; no mechanical chiller. All waste N2 not used for regeneration goes to the evaporative cooler; its chilled water also trims the booster air to 15 C (D-067).", "ASSUMED GAN taken as pressurized N2 from the HP column top (~5.2 bara) and compressed to 9 bara.", "ASSUMED all flows, pressures, duties and DNs are concept estimates, accuracy about +/-30 %." ], "assumed_values": { "process/flowsheet.yaml": 68, "process/simulation.yaml": 49 }, "models": { "C3101": [ "equilibrium stages (no efficiency or rate-based model)" ], "C3102": [ "equilibrium stages (no efficiency or rate-based model)" ] } }, "unresolved": [ { "requirement": "predictive.coverage", "status": "fail", "file": "process/simulation.yaml", "detail": "excluded: C1102" }, { "requirement": "predictive.model-basis", "status": "fail", "file": "process/simulation.yaml", "detail": "specified: V2101 (component-split)" }, { "requirement": "predictive.property-regime", "status": "fail", "file": "process/simulation.yaml", "detail": "simulation.yaml sets interaction parameters (AR-O2); the claim holds for DWSIM's own, case design, feed S1: component 124-38-9 is not in the claim, case design, feed S1: component 7732-18-5 is not in the claim and 23 more" } ], "limitations": [ { "subject": "V2101", "file": "process/simulation.yaml", "line": null, "limitation": "specified split: the separation is not predicted" }, { "subject": "predictive.energy-closure", "file": "process/simulation-run.json", "line": null, "limitation": "the plant closure is not evaluated (case design: unsupported: V2101: the sign of the component separator's energy imbalance is not established; C3102: the sign of the column top's residual duty is not established): a reacting unit without a heat-of-formation basis (its property package's enthalpy reference is not verified, or the run did not report DWSIM's formation enthalpies), or a unit whose duty sign is not established, so energy conservation cannot be shown" }, { "subject": "engineering.consistency", "file": "equipment/datasheets/", "line": null, "limitation": "not cross-checked by this command" }, { "subject": "engineering", "file": "", "line": null, "limitation": "mechanical design to a code (wall thickness, nozzle loads) is not checked" }, { "subject": "engineering", "file": "", "line": null, "limitation": "materials and corrosion selection is not checked" }, { "subject": "engineering", "file": "", "line": null, "limitation": "relief and blowdown sizing is not checked" }, { "subject": "engineering", "file": "", "line": null, "limitation": "control and dynamic behaviour is not checked" }, { "subject": "predictive.property-package", "file": "process/simulation.yaml", "line": null, "limitation": "substituted property package: property package 'Peng-Robinson (PR)' is a substitution for Peng-Robinson with Wong-Sandler mixing rules (loses: the Wong-Sandler (excess Gibbs energy) mixing rules; classical one-fluid mixing with kij); accepted: Peng-Robinson for an air separation unit: the cryogenic part (N2, O2, Ar, where the column and exchanger results matter) is non-polar, and the polar water is only in the warm end, at most 3.4 mol%, removed as near-pure condensate and in the TSA. Known limitation: PR gives water at saturation 10-13 % low (D-058); the adsorbers are sized on the IAPWS-95 water load (D-080). Proposed by the agent in D-097. Accepted (D-103) by the agent on the owner's delegation of 2026-10-25, not as the owner's own judgement: PR with the D-066 Ar/O2 kij is suitable for N2/O2/Ar vapour-liquid equilibrium at these conditions (1.3-5.5 bara, 80-100 K), and water appears only at the warm end and in the condensates, where the duties are small. The limitation stays listed." }, { "subject": "simulation-route", "file": "process/simulation.yaml", "line": null, "limitation": "no electrolytes: the worker exposes no electrolyte property package" }, { "subject": "simulation-route", "file": "process/simulation.yaml", "line": null, "limitation": "no pseudocomponents: every compound must be in DWSIM's database (by CAS number or the name in simulation.yaml); no assay characterisation" }, { "subject": "simulation-route", "file": "process/simulation.yaml", "line": null, "limitation": "no solid phase: simulation.yaml has no solid compounds or solid-phase input, and none is tested" }, { "subject": "simulation-route", "file": "process/simulation.yaml", "line": null, "limitation": "binary interaction parameters: DWSIM's own database (not inspected by cheme-as-code) unless simulation.yaml interaction_parameters set them (equation-of-state packages only)" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 29, "limitation": "product GOXP (GOX to pipeline) has no category: the TEA and LCA cannot tell a product from wastewater, off-gas, solid waste or an emission" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 30, "limitation": "product GANP (GAN to battery limit) has no category: the TEA and LCA cannot tell a product from wastewater, off-gas, solid waste or an emission" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 31, "limitation": "product LOX (LOX to storage) has no category: the TEA and LCA cannot tell a product from wastewater, off-gas, solid waste or an emission" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 32, "limitation": "product LIN (LIN to storage) has no category: the TEA and LCA cannot tell a product from wastewater, off-gas, solid waste or an emission" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 33, "limitation": "product VENT (Vent to atmosphere) has no category: the TEA and LCA cannot tell a product from wastewater, off-gas, solid waste or an emission" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 36, "limitation": "product COND (Condensate (MAC cooler drains; DCAC condensate into its circulating water)) has no category: the TEA and LCA cannot tell a product from wastewater, off-gas, solid waste or an emission" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 39, "limitation": "product CW (Cooling water return (heat rejected)) has no category: the TEA and LCA cannot tell a product from wastewater, off-gas, solid waste or an emission" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 129, "limitation": "step C1101U (Cooling) exchanges heat or work but no energy stream connects it to a utility: its steam, cooling, refrigeration or power is in no inventory" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 138, "limitation": "step C1102 (Cooling) exchanges heat or work but no energy stream connects it to a utility: its steam, cooling, refrigeration or power is in no inventory" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 191, "limitation": "step K3101 (Compressing) exchanges heat or work but no energy stream connects it to a utility: its steam, cooling, refrigeration or power is in no inventory" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 209, "limitation": "step E3105 (Cooling) exchanges heat or work but no energy stream connects it to a utility: its steam, cooling, refrigeration or power is in no inventory" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 237, "limitation": "step C3101 (Distilling) exchanges heat or work but no energy stream connects it to a utility: its steam, cooling, refrigeration or power is in no inventory" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 266, "limitation": "step HL3101 (ExchangingThermalEnergy) exchanges heat or work but no energy stream connects it to a utility: its steam, cooling, refrigeration or power is in no inventory" }, { "subject": "boundary", "file": "process/flowsheet.yaml", "line": 273, "limitation": "step C3102 (Distilling) exchanges heat or work but no energy stream connects it to a utility: its steam, cooling, refrigeration or power is in no inventory" } ], "artifacts": { "note": "artifact completeness never establishes calculation maturity", "sheets": [ { "id": "P-01", "kind": "pid", "file": "pid/P-01.xml", "exists": true, "generated": false }, { "id": "P-02", "kind": "pid", "file": "pid/P-02.xml", "exists": true, "generated": false }, { "id": "P-03", "kind": "pid", "file": "pid/P-03.xml", "exists": true, "generated": false }, { "id": "P-04", "kind": "pid", "file": "pid/P-04.xml", "exists": true, "generated": false }, { "id": "BFD", "kind": "bfd", "file": "process/BFD.xml", "exists": true, "generated": true }, { "id": "PFD", "kind": "pfd", "file": "process/PFD.xml", "exists": true, "generated": true } ], "files": { "design_basis": [ "process/design-basis.yaml" ], "equipment_list": [ "equipment/equipment-list.yaml" ], "datasheets": [ "equipment/datasheets/C-1101.yaml", "equipment/datasheets/C-1102.yaml", "equipment/datasheets/C-3101.yaml", "equipment/datasheets/C-3102.yaml", "equipment/datasheets/E-1101.yaml", "equipment/datasheets/E-1102.yaml", "equipment/datasheets/E-1103.yaml", "equipment/datasheets/E-2101.yaml", "equipment/datasheets/E-3101.yaml", "equipment/datasheets/E-3102.yaml", "equipment/datasheets/E-3103.yaml", "equipment/datasheets/E-3104.yaml", "equipment/datasheets/E-3105.yaml", "equipment/datasheets/E-4101.yaml", "equipment/datasheets/E-4102.yaml", "equipment/datasheets/E-4103.yaml", "equipment/datasheets/E-4105A.yaml", "equipment/datasheets/E-4105B.yaml", "equipment/datasheets/E-4106A.yaml", "equipment/datasheets/E-4106B.yaml", "equipment/datasheets/F-1101.yaml", "equipment/datasheets/F-2101.yaml", "equipment/datasheets/K-1101.yaml", "equipment/datasheets/K-3101.yaml", "equipment/datasheets/K-4101.yaml", "equipment/datasheets/K-4102.yaml", "equipment/datasheets/KT-3101.yaml", "equipment/datasheets/P-1101A.yaml", "equipment/datasheets/P-1101B.yaml", "equipment/datasheets/P-1102A.yaml", "equipment/datasheets/P-1102B.yaml", "equipment/datasheets/P-4101A.yaml", "equipment/datasheets/P-4101B.yaml", "equipment/datasheets/P-4102A.yaml", "equipment/datasheets/P-4102B.yaml", "equipment/datasheets/T-4101.yaml", "equipment/datasheets/T-4102.yaml", "equipment/datasheets/V-2101A.yaml", "equipment/datasheets/V-2101B.yaml", "equipment/datasheets/V-3101.yaml" ], "line_list": [ "piping/line-list.yaml" ], "instrument_list": [ "control/instrument-list.yaml" ], "layout": [ "layout/building.yaml", "layout/equipment-placement.yaml", "layout/hvac.yaml", "layout/plant-model.yaml", "layout/site-plan.yaml", "layout/structures.yaml", "layout/zones.yaml" ], "estimate": [ "estimate/cost-basis.yaml", "estimate/rates.yaml", "estimate/tea.yaml" ], "lca": [ "lca/dataset.yaml", "lca/factors.yaml", "lca/inventory.csv", "lca/lca.yaml", "lca/mappings.yaml" ], "simulation_record": [ "process/simulation-run.json" ] } }, "review": { "note": "set by people only: cheme maturity reads it and never writes it", "manifest_status": "unreviewed" }, "manifest": { "supported_maturity": "screening", "claimed_maturity": "screening", "review_status": "unreviewed", "claim_exceeds_evidence": false }, "source": { "commit": "fa2c2d39f480608b1f3fb5b3574be0b5e5498a08", "dirty": [], "fingerprints": { "equipment/equipment-list.yaml": "sha256:7dd6ae258db62812479ac0e0e7c520b82a46de4f02ee2020db2f5d4013870490", "plant.yaml": "sha256:29c11e86f63f787667f3f4fc3482aea28c430c883f3977b9bccbed9c5cc272ed", "process/design-basis.yaml": "sha256:0498974de4c64d23299e4a93fc56382beeae4c20493d14612a3c0912288757e0", "process/flowsheet.yaml": "sha256:55cd2ae5678e325e705eedf0b15cce079e9c606f611e4c853f84fd12fe6d439b", "process/materials.yaml": "sha256:e1aa43b3af061ae5c0e3982cba36fd9956884476745037db75c8ca937e2fbbcd", "process/simulation-run.json": "sha256:3e227e41149c4c416902257a4fa8b031a5b4183b00dd6f0489171aa42121349a", "process/simulation.yaml": "sha256:74863bd0654b70834c5844af0a51f7b1e7bbdff580ccd506f5dd7897600b5760" } } }