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OpenFlowsheet v0.3.0

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@github-actions github-actions released this 31 Oct 08:52
· 824 commits to main since this release

Draft (V03 WO-4); nothing below is released. The release candidate C, its gate table and the
verdicts are added to this section at C (V03 spec §4, ADR 0053). 0.3.0 claims V11–V20, W21–W26
and X31; W27 is not claimed.

S01 — the countercurrent equilibrium-stage subsystem

  • Equilibrium stages with explicit degrees of freedom and energy and phase coupling, an
    initializer and Newton continuation, on SYN-001. Manifest
    evidence/S01/465240a4…/manifest.json.

S02 — the MESH column

  • Stage indexing, feed, condenser, reboiler, pressure and specification conventions; four matched
    cases and the invalid-specification and invalid-phase refusals. Manifest
    evidence/S02/1810dde8…/manifest.json.

S03 — independent column references

  • Column answers compared with an independently written implementation across the available suite,
    with perturbation studies and the supported nonideal scope. Manifest
    evidence/S03/930aad1b…/manifest.json.

S04 — the Peng–Robinson component library pr-lib-v1 (library-only)

  • A vapour-phase Peng–Robinson library provider; a revision cannot select it, and its records do
    not ship. Manifest evidence/S04/5c29fbf6…/manifest.json.

S05 — IAPWS-95 water iapws95-v1

  • The IAPWS-95 formulation as a provider with its own reference convention IAPWS95-ref-v1; the
    coefficients ship with IAPWS's attribution in NOTICE. Manifest
    evidence/S05/01cdeed4…/manifest.json.

S06 — column specifications by purity, recovery and stage temperature

  • Purity, recovery and stage-temperature specifications for the column, with their rows, degrees of
    freedom and typed refusals. Manifest evidence/S06/ad264a23…/manifest.json.

S07 — CoolProp pure fluids coolprop-heos-v1 (optional extra coolprop)

  • CoolProp 8.0.0's Helmholtz equations of state for 123 fluids in two tiers, reference convention
    COOLPROP-DEF-ref-v1, compared across architectures within registered bounds (ADR 0046).
    Manifest evidence/S07/7bfab70d…/manifest.json.

S08 and S08b — one-phase column sections and the phase contract

  • Block openings for column sections in one phase (ADR 0048), and signature items by declaration
    with saturation consistency for S01 cascades. Manifests evidence/S08/6d7d1a6d…/manifest.json
    and evidence/S08b/acbd1266…/manifest.json.

S09 — BioSTEAM as a third column reference

  • A blind third reference for the column cases: 19 of 19 qualified, X31 met where available for 3
    of 4 cases. Manifest evidence/S09/4d4df087…/manifest.json.

S10 and S10-C — the Wilson liquid-mixture method on real records

  • wilson-ig-v1: Wilson activity coefficients with an ideal-gas vapour for methanol, ethanol and
    water, Wilson parameters fitted to published equilibrium data (Kurihara et al. 1993), with the VAL-1–3
    validation bands (ADR 0047); S10-C adds the
    γ–φ PH flash and the column on Wilson (ADR 0049). Wilson's records and the Kurihara 1993 points
    ship as package data (V03 spec §9.1). Manifests evidence/S10/f6f27c3f…/manifest.json and
    evidence/S10c/2aedd250…/manifest.json.

S11 — the binding package

  • Water (IAPWS-95), CoolProp's pure fluids and Wilson selectable in flowsheets; the seven
    thermal.* units; the column as a flowsheet unit (ADRs 0050, 0051). semantic_role gains
    compressor, turbine and other (ADR 0054). Manifest evidence/S11/01e72ca4…/manifest.json.

S12 (E01) — cost estimation and LCA

  • Cost and life-cycle impact as differentiable post-solve functionals of a
    verified state, with an accuracy class (ADR 0052); the LCA table builder needs the optional
    extra lca. Manifest evidence/S12/02fc8d2f…/manifest.json.

What it is not

  • numerical verification, not empirical validation
  • no global optimality
  • Linux only
  • not a sandbox
  • the stand-in reactor is synthetic
  • no reactor result has been compared with experimental data by this project: the group's published
    comparison is the group's evidence, and every real-reactor number is the group's model at the pin,
    a regression, whose discretization bias is 1.0–1.4 % in NH₃ (M02 design note §13)
  • the optimization routes need the optional nlp extra
  • the CoolProp provider needs the optional coolprop extra
  • cost and LCA results are assessment estimates with an accuracy class
  • cost and LCA are Python-only
  • no ecoinvent data
  • Wilson is vapour-liquid only; no liquid-liquid split
  • no automatic liquid/vapour regime switching for pure fluids
  • X31: one independent reference for the refluxed absorber
  • no rate-based column models
  • no W27 claim in 0.3.0
  • no CFD or Peclet refinement
  • no external benchmark score