Adiabatic, constant-volume reactor at density rho with state y = (Y_1 .. Y_Ns, T): dY_k/dt = W_k omega_k / rho, dT/dt = -sum_k u_k omega_k / (rho cv), with u_k the molar internal energies. The ODE system of integrate(). More...

#include <reactor.h>

Public Member Functions
KOKKOS_INLINE_FUNCTION uint32_t	size () const

KOKKOS_INLINE_FUNCTION double	atol (const uint32_t i) const

template<typename Lanes >
KOKKOS_INLINE_FUNCTION bool	admissible (const Lanes &lanes, const double *y) const

template<typename Lanes >
KOKKOS_INLINE_FUNCTION void	rhs (const Lanes &lanes, const double y, double f) const

template<typename Lanes >
KOKKOS_INLINE_FUNCTION void	rhs_jacobian (const Lanes &lanes, const double y, double f, double *J) const

template<typename Lanes >
KOKKOS_INLINE_FUNCTION double	forcing_temperature_derivative (const Lanes &lanes, const double *cp_R) const
	d(sum_k e_k g_k) / dT = sum_k cv_k g_k.

template<typename Lanes , typename Powers >
KOKKOS_INLINE_FUNCTION void	compact_jacobian (const Lanes &lanes, const double y, double J, const double T, const Powers &p, const double cv, const double inv_rho_cv, const double dT_dt, const double h_RT, const double cp_R, const double omega, const double domega_dT, const ReactionDerivatives &d) const
	f(y) and, if J is not null, the Jacobian df/dy (in the lanes' layout, see dense_index), from d omega / dC and d q / dT by the chain rule (C_k = rho Y_k / W_k).

template<typename Lanes >
KOKKOS_INLINE_FUNCTION void	evaluate (const Lanes &lanes, const double y, double f, double *J) const

Static Public Member Functions
static KOKKOS_INLINE_FUNCTION uint32_t	scratch_size (const KineticsTable< MemorySpace > &kinetics)

Public Attributes
const ThermoTable< MemorySpace > &	thermo

const KineticsTable< MemorySpace > &	kinetics

double	rho

double	atol_Y

double *	scratch

double *	rank_one

const SparseLUPattern< MemorySpace > *	sparse = nullptr

const double *	forcing = nullptr

double	forcing_time = 0.0

Detailed Description

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>
struct chemistry::ConstantVolumeReactor< MemorySpace >

Adiabatic, constant-volume reactor at density rho with state y = (Y_1 .. Y_Ns, T): dY_k/dt = W_k omega_k / rho, dT/dt = -sum_k u_k omega_k / (rho cv), with u_k the molar internal energies. The ODE system of integrate().

With a forcing g (n_species + 1 values), the reactor also receives the constant sources rho g_k of its partial densities and rho g_e of its internal energy per volume, rho being the initial density: y_k = rho_k / rho then sums to the current density over rho, and dy_k/dt = W_k omega_k / rho + g_k, dT/dt = (g_e - sum_k e_k g_k - sum_k u_k omega_k / rho) / sum_k y_k cv_k, still autonomous, with the species rows of the Jacobian unchanged. Over a call of length forcing_time, the exact solution can fall below zero by forcing_time max(0, -g_k) at most where the forcing removes a species faster than chemistry restores it, so that much is admissible.

Member Function Documentation

◆ admissible()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

template<typename Lanes >

KOKKOS_INLINE_FUNCTION bool chemistry::ConstantVolumeReactor< MemorySpace >::admissible	(	const Lanes &	lanes,
		const double *	y
	)		const

inline

◆ atol()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

KOKKOS_INLINE_FUNCTION double chemistry::ConstantVolumeReactor< MemorySpace >::atol ( const uint32_t i ) const

inline

◆ compact_jacobian()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

template<typename Lanes , typename Powers >

KOKKOS_INLINE_FUNCTION void chemistry::ConstantVolumeReactor< MemorySpace >::compact_jacobian	(	const Lanes &	lanes,
		const double *	y,
		double *	J,
		const double	T,
		const Powers &	p,
		const double	cv,
		const double	inv_rho_cv,
		const double	dT_dt,
		const double *	h_RT,
		const double *	cp_R,
		const double *	omega,
		const double *	domega_dT,
		const ReactionDerivatives &	d
	)		const

inline

f(y) and, if J is not null, the Jacobian df/dy (in the lanes' layout, see dense_index), from d omega / dC and d q / dT by the chain rule (C_k = rho Y_k / W_k).

The Jacobian in the sparse pattern's compact layout (J_s, with u in rank_one): the species block's entries, the T column and the T row, by the chain rule as in evaluate().

◆ evaluate()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

template<typename Lanes >

KOKKOS_INLINE_FUNCTION void chemistry::ConstantVolumeReactor< MemorySpace >::evaluate	(	const Lanes &	lanes,
		const double *	y,
		double *	f,
		double *	J
	)		const

inline

◆ forcing_temperature_derivative()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

template<typename Lanes >

KOKKOS_INLINE_FUNCTION double chemistry::ConstantVolumeReactor< MemorySpace >::forcing_temperature_derivative	(	const Lanes &	lanes,
		const double *	cp_R
	)		const

inline

d(sum_k e_k g_k) / dT = sum_k cv_k g_k.

◆ rhs()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

template<typename Lanes >

KOKKOS_INLINE_FUNCTION void chemistry::ConstantVolumeReactor< MemorySpace >::rhs	(	const Lanes &	lanes,
		const double *	y,
		double *	f
	)		const

inline

◆ rhs_jacobian()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

template<typename Lanes >

KOKKOS_INLINE_FUNCTION void chemistry::ConstantVolumeReactor< MemorySpace >::rhs_jacobian	(	const Lanes &	lanes,
		const double *	y,
		double *	f,
		double *	J
	)		const

inline

◆ scratch_size()

template<typename MemorySpace = Kokkos::DefaultExecutionSpace::memory_space>

static KOKKOS_INLINE_FUNCTION uint32_t chemistry::ConstantVolumeReactor< MemorySpace >::scratch_size ( const KineticsTable< MemorySpace > & kinetics )