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Add JWL equation of state and detonation modeling for the five-equation model #1638

Description

@fahnab666

Summary

The goal is unchanged: Jones-Wilkins-Lee (JWL) detonation products in the five-equation Allaire model (model_eqns = 2), selectable per fluid (fluid_pp(i)%eos) and coexisting with an ideal-gas or stiffened-gas ambient, so MFC can simulate explosive products expanding into air or water. This was previously raised in #1384; a monolithic implementation was submitted as #1586 and closed in favor of an incremental equation-of-state architecture. This issue now tracks that incremental ladder: a central thermodynamics interface first, then explicit EOS selection, then a generic Mie-Gruneisen backend, and only then JWL as a particular Mie-Gruneisen reference curve with user-supplied parameters.

Roadmap

Step Scope Status
PR 1 Central thermodynamics interface; all solver paths query one module, results bit-identical #1663 (in review)
PR 2 Explicit per-fluid EOS selector with a stable enumeration; unsupported choices rejected at validation #1664 (in review)
PR 3 Generic Mie-Gruneisen core: reference-curve provider plus curve-agnostic assembler, manufactured verification #1665 (in review)
PR 4 Nonreactive JWL as a Mie-Gruneisen reference curve, products-ambient mixture closure, synthetic cases only planned
PR 5 External material-file mechanism with provenance; no named-explosive catalog in the repository planned
PR 6 to 10 Separation of reaction integration from chemistry, Pyrometheus hardening, generic progress-variable reactions, reactant-product coupling, specific burn models planned

Target capability (from the original proposal)

  • JWL pressure law for pure products:
$$p = A\left(1-\frac{\omega}{R_1V}\right)e^{-R_1V} + B\left(1-\frac{\omega}{R_2V}\right)e^{-R_2V} + \omega\rho e, \qquad V=\frac{\rho_0}{\rho}.$$
  • A composition-weighted mixture closure between JWL products and the ambient, with a closed-form pressure-energy inverse and analytic sound speed, degenerating exactly to the pure laws at the mixture endpoints.
  • Optional reaction sources, off by default: kinematic program burn, products-air afterburn, and JWL++ (Souers 2000) reactive burn.
  • Coupling with immersed boundaries and Euler-Lagrange bubbles.
  • Validation: exact Riemann star states, resolved ZND structure against the analytic Hugoniot/Rayleigh/CJ construction, Sedov-Taylor blast scaling, far-field TNT overpressure against Kinney-Graham.

References

  • Arienti, M., Morano, E., Shepherd, J.E., Shock and detonation modeling with the Mie-Gruneisen equation of state, GALCIT Report FM99-8 (2004).
  • Souers, P.C. et al., JWL++: A Simple Reactive Flow Code Package for Detonation, Propellants, Explosives, Pyrotechnics 25 (2000).
  • Garno, J.M. et al., Phys. Rev. Fluids 5, 123201 (2020), reactant energy offset for resolved ZND structure.

Related: #1384, #1586

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