pfrsweep — plug flow reactor sweeps

Pick ranges of conditions rather than one operating point. Every combination is run as an isothermal or adiabatic plug flow reactor in Cantera, and the outlet composition comes back as one table. What this is.

Mechanism

Sweep axes

minmaxpoints
minmaxpoints
minmaxpoints

Outputs

Gives approach_X: outlet over equilibrium. Above 1 is a transient overshoot that decays unless the gas is quenched.

Set the conditions and run a sweep — results appear here.

About

What this is, and what it is not

A front end for pfrsweep, which expands one config into every combination of the conditions in it and runs them in parallel. The point is to stop hand-writing one input file per simulation.

  • Flags, not filters. extrapolated marks a case run outside the temperature range where every species present has valid thermo data — Cantera extrapolates NASA polynomials without complaining. outside_kinetic_range marks a case outside where the mechanism's rate constants were established, which no mechanism file records and which has to be stated by hand. Both are shown, neither is hidden.
  • Neither mechanism covers everything. air7-gupta reaches 20 000 K but has no NO₂; gri30 has NO₂ but its N₂ thermo stops at 5000 K. Where both are defensible they disagree by up to 3× around 2500–3000 K.
  • air7-gupta.yaml is generated, not published. Thermo copied from Cantera's airNASA9.yaml, kinetics transcribed from NASA RP-1232 table II. Checked against the report's own backward rates and against gri30's equilibrium, but not reviewed by a kineticist.
  • No plasma chemistry yet. This is thermal kinetics — a validation harness for the sweep machinery. Electron-impact chemistry, a swept reduced electric field and an in-process EEDF are the next step and need a source build of Cantera.