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Thermodynamics — The Databank

A three-step resolver chain (BYOL override → bundled open-data table, 2,271 components → the `chemicals` PyPI databank) supplies pure-component critical properties for any EoS package; CoolProp covers ~106 components natively with full real-fluid EOS.

thermodynamicsdatabankproperties
Concept

Every thermo package needs pure-component critical properties (Tc, Pc, acentric factor ω) for components CoolProp doesn't carry natively. Rather than one giant hardcoded table, the databank is a three-step resolver chain, first hit wins: your own uploaded data, then a bundled open-data table, then a broader open-source fallback.

The math
Show the governing equations
resolve(c)=BYOL(c)  ∨  open_data(c)  ∨  chemicals(c)\text{resolve}(c) = \text{BYOL}(c) \;\lor\; \text{open\_data}(c) \;\lor\; \text{chemicals}(c)
First non-null result wins. BYOL (bring-your-own-license) is per-tenant and always checked first, so licensed data you upload overrides everything else.
Execution

Coverage

  • CoolProp — ~106 components with a full real-fluid EOS (density, enthalpy, VLE).
  • Open-data table — 2,271 components, critical-property triples only (bundled, regenerable).
  • chemicals PyPI databank — on the order of 1,000-2,000 compounds with a full Tc/Pc/ω triple.

A component the chain still can't resolve isn't a dead end: the Property Estimator (Joback group contribution + Ambrose-Walton) lets you estimate Tc/Pc/ω from a molecular structure and save it as a BYOL override — the same seam, fed by you instead of a lookup.