Utilities

inverse_flash_update!(storage, eos, c, V)

Update internal matrix of partial derivatives for a converged flash result.

set_partials(v, storage, eos, c, index)

Modify a value v of ForwardDiff.Dual type to get the correct derivatives.

If the mixture is two-phase, the partial derivatives of phase molar fractions and vapor fraction with respect to the flash conditions (pressure, temperature and overall mole fractions) are not trivial. This function is the main gateway for setting these values.

Notes

Experimental interface, subject to change. You most likely want to use either set_partials_phase_mole_fractions! or set_partials_vapor_fraction

In order for this routine to work, the storage must be initialized using flash_storage with the following options enabled:

• inc_jac = true
• diff_externals = true

and inverse_flash_update! must be called after a successful flash. The partial derivatives with respect to p, T, z is then contained in storage.buf_inv with a negative sign. This function then performs the requisite chain rule operations for the input.

setpartialsphasemolefractions!(xy, storage, eos, ∂c, [phase_symbol])

Set partial derivatives to phase mole fraction vector with type ForwardDiff.Dual with correct values, but missing partial derivatives.

set_partials_vapor_fraction(V, storage, eos, ∂c)

Set partial derivatives to a vapor mole fraction ForwardDiff.Dual instance with correct value, but missing partial derivatives.

lbc_viscosities(eos, p, T, flashed_mixture)

Compute phase viscosities for a flashed two-phase mixture using the LBC correlation.

Always returns a named tuple of (μl, μv), even if the mixture is single-phase.

The value in the absent phase will be that of the present phase for single-phase conditions.

mass_densities(eos, p, T, flashed_mixture)

Compute mass densities for a flashed two-phase mixture.

Always returns a named tuple of (ρl, ρv), even if the mixture is single-phase.

The value in the absent phase will be that of the present phase for single-phase conditions.

Compute mass density of a flashed phase

Compute molar volume of a flashed phase

phase_is_present(label, phase_state)

Check if a phase (symbol :liquid/:vapor) is present with the provided phase state.

phase_saturations(eos, p, T, flashed_mixture)

Compute phase saturations for a flashed two-phase mixture.

Always returns a named tuple of (Sl, Sv), even if the mixture is single-phase.

The value in the absent phase will be zero.

lbc_viscosity(eos, p, T, ph; <keyword arguments>)

Compute the viscosity of a mixture using the Lohrenz-Bray-Clark correlation.

single_phase_label(mixture, cond)

Li's method for single-phase labeling of a mixture. Estimate of pure vapor/liquid.

Returns a vapor fraction that is either 1.0 (=pure vapor) or 0.0 (=pure liquid).