NASA-7 neutral-species subset
============================
The coefficients in nasa7.json derive from B. J. McBride, S. Gordon and
M. A. Reno, Coefficients for Calculating Thermodynamic and Transport
Properties of Individual Species, NASA TM-4513 (October 1993).
Original report: https://ntrs.nasa.gov/citations/19940013151
Original permission metadata: https://ntrs.nasa.gov/api/citations/19940013151
NTRS copyright: Work of the US Gov. Public Use Permitted.

The original report, section Standard States, Reference States, and
Fundamental Constants, specifies standard pressure 1 bar. The values are
polynomial fits, not measurements at each queried temperature. Source-note
codes are retained per species; see TM-4513 Six-Character Reference Codes
and its bibliography (L = NASA Lewis; TPIS = Thermodynamic Properties of
Individual Substances; X = reference code in that report). The NASA fits
combine reference enthalpies with fitted thermodynamic functions. The
modern SI gas constant is used here; no source coefficients are adjusted.

The mechanical YAML conversion is from Cantera v3.2.0, nasa_gas.yaml and
nasa_condensed.yaml. Preserve Cantera-License.txt for the conversion's BSD
notice; that software licence is not asserted to license third-party data.
Each original URL, source-file SHA256, species ID, note, charge, phase,
composition, temperature ranges and coefficients is retained in nasa7.json.
CAS numbers, where present, were separately checked against the indicated
NIST WebBook identity URL and recorded page hash. Other CAS are unavailable.
An approved species ID identifies a neutral species; atom-count equality
is never used to discover an isomer or charged identity.

Glarborg-2018 academic-use subset (Reto ruling, 2026-10-05)
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Values extracted from a published mechanism, no explicit licence grant from
the authors, academic use, cited. This is not an assertion of an open-data
licence or unrestricted/commercial redistribution permission. R13 initially
withheld these records because public download and repository code licences
do not grant third-party rights; the academic-use ruling authorizes this
five-record R14 subset, not a whole Burcat database or complete mechanism.

Citation: P. Glarborg, J. A. Miller, B. Ruscic, S. J. Klippenstein,
Modeling nitrogen chemistry in combustion, Progress in Energy and Combustion
Science 67 (2018) 31–68. DOI: 10.1016/j.pecs.2018.01.002.
Publication metadata: https://orbit.dtu.dk/en/publications/modeling-nitrogen-chemistry-in-combustion/
Original CHEMKIN thermo.dat is retrieved from the published-mechanism mirror:
https://raw.githubusercontent.com/jiweiqi/CollectionOfMechanisms/7c39629e45bda071d9355818169946a30d777017/Nitrogen/Glarborg/thermo.dat
SHA256: 46399906982b30923833febeba96ae89720efbc19a7332fcff651179aac8d666
The companion mech.dat header names this nitrogen review (its prepublication
year says 2017; the DOI/DTU record establishes the published 2018 date).
No mechanism reactions, transport data or runtime dependency are incorporated.

Only H2NO, HNOH, NH2OH, HNO and NH2 are extracted, with unchanged NASA7
coefficients. Original headers, record lines, reference notes and full pins
are preserved per species in nasa7.json:
- H2NO: RADICAL T09/09; Goos/Burcat/Ruscic database with ATcT updates,
  accessed July2013; gas, neutral H2N–O radical, 200/1000/6000 K.
- HNOH: trans & Equ T11/11; same original database reference, gas neutral
  hydroxyamidogen, 200/1000/6000 K. This literal source-defined record is
  retained without guessing ensemble weights or declaring pure-trans/cis.
  A separate cis record is commented out in the mechanism and NOT vendored.
- NH2OH: ATcT/A; same original database reference, gas hydroxylamine,
  200/1000/6000 K. This replaces the older NASA TPIS89 fit, not an estimate.
- HNO: ATcT3E; ATcT ver.1.122, DHf298=106.96 ±0.11 kJ/mol, fit JAN17;
  gas nitroxyl, 200/1000/6000 K.
- NH2: ATcT3E; ATcT ver.1.122, DHf298=186.02 ±0.12 kJ/mol, fit JAN17;
  gas amidogen, 200/1000/3000 K. Its shorter published range is enforced.

The ledger adopts the same 1 bar reference convention for all fits. The
original CHEMKIN mechanism does not explicitly encode reference pressure;
this is a disclosed convention, not pressure metadata proved by that file.
No entropy constant is adjusted. Independent frozen-source comparisons use
Cantera species thermodynamic functions directly, not a mechanism kinetics
simulation or its default phase pressure. Fit enthalpies reproduce source
reference values to fit accuracy; they are not asserted to be measurements.
NASA elemental-reference fits remain fixed; balanced reference terms cancel.
Source changes therefore affect intermediate steps, not the overall NO
hydrogenation with unchanged NASA reactants/products.

No estimates (including JOBACK), xTB or extrapolation are substituted.
Polynomial ranges describe fit coverage, not phase-equilibrium stability;
explicit liquid water selects the liquid fit, including its metastable
extension, and never an automatic phase transition.
