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HDA two-flash: ePC-SAFT property package and phase-root qualification (ePC-SAFT #73) - #1
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…-root qualification (ePC-SAFT IDAES#73) ePC-SAFT modular EoS via the installed Engine ASL callback, SmoothVLE/LogBubbleDew config with all species in both phases, two-flash flowsheet with adiabatic fixed-conversion reactor, ideal-baseline campaign, and a public-API row audit. Qualification finds no genuine bubble temperature for the hydrogen-rich streams (supported negative at study step 4). Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
…IDAES#73) Final wheel 60b15ce8, ASL af60d475: property transport, callback domain, LogBubbleDew bubble/dew attempts from 80-400 K with audits, Engine-driver bubble-pressure diagnostic, ideal baseline. Supported negative at study step 4. Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
…pressure (ePC-SAFT IDAES#73) Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
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Refs tannerpolley/ePC-SAFT#73. Draft; this is the downstream side of Engine PR tannerpolley/ePC-SAFT#175.
What changed
idaes_examples/mod/hda/epcsaft_eos.py: an IDAES modular-properties EoS that consumes the installed ePC-SAFT wheel's ASL functionepcsaft_pressure_propertyfor density, total enthalpy and component ln φ_i, with exact gradients and Hessians. It covers theSmoothVLE_teqrows and theLogBubbleDewTbub/Tdew/Pbub/Pdew rows. No thermodynamic formula is reimplemented and no Engine source is imported.hda_epcsaft_VLE.py: an all-species-condensableSmoothVLE/LogBubbleDewconfiguration.hda_two_flash_epcsaft.py: the two-flash recycle flowsheet with a property switch and the corrected ideal baseline.hda_epcsaft_qualification.py: the qualification driver.epcsaft_inputs/: materialized parameter document (SHA-256c41ac486…6822) and NASA9 records (d1341f07…c39b).Results
These are on the Engine wheel with SHA-256
60b15ce85a065fdbc98d40c9597f6e93775d39fbefd613866410804287dd9854(ASL libraryaf60d475…73d9).Mixture.stateto 1.9e-12 relative at the issue's four states, both phases.SmoothVLEneeds a bubble temperature for every stream. The hydrogen-rich process streams have none at 0.35 MPa: Σ K_i z_i is 28 to 2.9e14 wherever a liquid-like root exists (retainedbubble_sum_at_stream_pressure.csv), and every IDAES bubble row converges only to the trivial root. The gas feed’s only candidate (19.74 K, liquid H2 below the CH4 triple point) is out of domain. The ePC-SAFT simulation and optimization (steps 5–6) were therefore not run, following the issue's stop rule. Dew points and the aromatic bubble points do exist.Details and claim limits are in
hda_epcsaft_results/README.md.Budget
Downstream executables total 609 physical lines against the issue's 550-line allocation. An amendment is requested; it is not approved.
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