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MFC
Exascale flow solver
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MFC
Exascale flow solver
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Contains module m_chemistry. More...
Go to the source code of this file.
Modules | |
| module | m_chemistry |
| Multi-species chemistry interface for thermodynamic properties, reaction rates, and transport coefficients. | |
Functions/Subroutines | |
| subroutine | m_chemistry::compute_viscosity_and_inversion (t_l, ys_l, t_r, ys_r, re_l, re_r) |
| Compute mixture viscosities for left and right states and invert them for use as reciprocal Reynolds numbers. | |
| subroutine | m_chemistry::s_compute_q_t_sf (q_t_sf, q_cons_vf, bounds) |
| Initialize the temperature field from conservative variables by inverting the energy equation. | |
| subroutine | m_chemistry::s_compute_t_from_primitives (q_t_sf, q_prim_vf, bounds) |
| Compute the temperature field from primitive variables using the ideal gas law and mixture molecular weight. | |
| subroutine | m_chemistry::s_compute_chemistry_reaction_flux (rhs_vf, q_cons_qp, q_t_sf, q_prim_qp, bounds) |
| Add chemical reaction source terms to the species transport RHS using net production rates. | |
| subroutine | m_chemistry::s_chemistry_reaction_substep (q_cons_vf, q_t_sf, dtime, bounds) |
| Operator-split integration of the reaction source with an alpha-QSS (Mott quasi-steady-state) reactor. Called after the flow update: each cell's constant-(rho, e) reactor is advanced over dtime with chem_paramsreaction_substeps predictor-corrector sub-steps – or, when adap_substeps = T, an adaptive count nsub clamped to [reaction_substeps, reaction_substeps_max] and sized once per rank from the rank's stiffest cell – updating the species partial densities and temperature in place. Mixture density, momentum, and total energy are unchanged (reactions convert chemical to thermal energy at fixed internal energy). The alpha-QSS update treats each species' destruction as a pseudo-first-order loss, so it is stable for stiff ignition where an explicit source would overshoot and diverge, and relaxes to the correct chemical equilibrium rather than over-heating. Reaction is split from the flow update at first order (Lie-Trotter), and each sub-step renormalizes the mass fractions to sum to one (which does not strictly conserve elemental composition). | |
| subroutine | m_chemistry::s_compute_chemistry_diffusion_flux (idir, q_prim_qp, flux_src_vf, irx, iry, irz, q_t_sf) |
| Compute species mass diffusion fluxes at cell interfaces using mixture-averaged diffusivities. | |
Variables | |
| type(int_bounds_info) | m_chemistry::isc1 |
| type(int_bounds_info) | m_chemistry::isc2 |
| type(int_bounds_info) | m_chemistry::isc3 |
| integer, dimension(3) | m_chemistry::offsets |
Contains module m_chemistry.
Definition in file m_chemistry.fpp.f90.