Surface reaction solver functions. More...

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Macros
#define	TEMPERATURE_K_ env_data[0]

#define	PRESSURE_PA_ env_data[1]

#define	DIFF_COEFF_ float_data[0]

#define	GAMMA_ float_data[1]

#define	MW_ float_data[2]

#define	NUM_AERO_PHASE_ int_data[0]

#define	REACT_ID_ (int_data[1] - 1)

#define	NUM_PROD_ int_data[2]

#define	MEAN_SPEED_MS_ rxn_env_data[0]

#define	NUM_INT_PROP_ 3

#define	NUM_FLOAT_PROP_ 3

#define	NUM_ENV_PARAM_ 1

#define	PROD_ID_(x) (int_data[NUM_INT_PROP_ + x] - 1)

#define	DERIV_ID_(x) int_data[NUM_INT_PROP_ + NUM_PROD_ + x]

#define	JAC_ID_(x) int_data[NUM_INT_PROP_ + 1 + 2 * NUM_PROD_ + x]

#define	PHASE_INT_LOC_(x) (int_data[NUM_INT_PROP_ + 2 + 3 * NUM_PROD_ + x] - 1)

#define	PHASE_FLOAT_LOC_(x) (int_data[NUM_INT_PROP_ + 2 + 3 * NUM_PROD_ + NUM_AERO_PHASE_ + x] - 1)

#define	AERO_PHASE_ID_(x) (int_data[PHASE_INT_LOC_(x)] - 1)

#define	AERO_REP_ID_(x) (int_data[PHASE_INT_LOC_(x) + 1] - 1)

#define	NUM_AERO_PHASE_JAC_ELEM_(x) (int_data[PHASE_INT_LOC_(x) + 2])

#define	PHASE_JAC_ID_(x, s, e) int_data[PHASE_INT_LOC_(x) + 3 + (s) * NUM_AERO_PHASE_JAC_ELEM_(x) + e]

#define	YIELD_(x) float_data[NUM_FLOAT_PROP_ + x]

#define	EFF_RAD_JAC_ELEM_(x, e) float_data[PHASE_FLOAT_LOC_(x) + e]

#define	NUM_CONC_JAC_ELEM_(x, e) float_data[PHASE_FLOAT_LOC_(x) + NUM_AERO_PHASE_JAC_ELEM_(x) + e]

Functions
void	rxn_surface_get_used_jac_elem (ModelData model_data, int rxn_int_data, double rxn_float_data, Jacobian jac)
	Flag Jacobian elements used by this reaction.

void	rxn_surface_update_ids (ModelData model_data, int deriv_ids, Jacobian jac, int rxn_int_data, double rxn_float_data)
	Update the time derivative and Jacbobian array indices.

void	rxn_surface_update_env_state (ModelData model_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data for new environmental conditions.

void	rxn_surface_calc_deriv_contrib (ModelData model_data, TimeDerivative time_deriv, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

void	rxn_surface_calc_jac_contrib (ModelData model_data, Jacobian jac, int rxn_int_data, double rxn_float_data, double rxn_env_data, realtype time_step)
	Calculate contributions to the Jacobian from this reaction.

void	rxn_surface_print (int rxn_int_data, double rxn_float_data)
	Print the surface reaction parameters.

Detailed Description

Surface reaction solver functions.

Definition in file rxn_surface.c.

Macro Definition Documentation

◆ AERO_PHASE_ID_

#define AERO_PHASE_ID_ ( x ) (int_data[PHASE_INT_LOC_(x)] - 1)

Definition at line 39 of file rxn_surface.c.

◆ AERO_REP_ID_

#define AERO_REP_ID_ ( x ) (int_data[PHASE_INT_LOC_(x) + 1] - 1)

Definition at line 40 of file rxn_surface.c.

◆ DERIV_ID_

#define DERIV_ID_ ( x ) int_data[NUM_INT_PROP_ + NUM_PROD_ + x]

Definition at line 33 of file rxn_surface.c.

◆ DIFF_COEFF_

#define DIFF_COEFF_ float_data[0]

Definition at line 22 of file rxn_surface.c.

◆ EFF_RAD_JAC_ELEM_

#define EFF_RAD_JAC_ELEM_	(	x,
		e
	)	float_data[PHASE_FLOAT_LOC_(x) + e]

Definition at line 45 of file rxn_surface.c.

◆ GAMMA_

#define GAMMA_ float_data[1]

Definition at line 23 of file rxn_surface.c.

◆ JAC_ID_

#define JAC_ID_ ( x ) int_data[NUM_INT_PROP_ + 1 + 2 * NUM_PROD_ + x]

Definition at line 34 of file rxn_surface.c.

◆ MEAN_SPEED_MS_

#define MEAN_SPEED_MS_ rxn_env_data[0]

Definition at line 28 of file rxn_surface.c.

◆ MW_

#define MW_ float_data[2]

Definition at line 24 of file rxn_surface.c.

◆ NUM_AERO_PHASE_

#define NUM_AERO_PHASE_ int_data[0]

Definition at line 25 of file rxn_surface.c.

◆ NUM_AERO_PHASE_JAC_ELEM_

#define NUM_AERO_PHASE_JAC_ELEM_ ( x ) (int_data[PHASE_INT_LOC_(x) + 2])

Definition at line 41 of file rxn_surface.c.

◆ NUM_CONC_JAC_ELEM_

#define NUM_CONC_JAC_ELEM_	(	x,
		e
	)	float_data[PHASE_FLOAT_LOC_(x) + NUM_AERO_PHASE_JAC_ELEM_(x) + e]

Definition at line 46 of file rxn_surface.c.

◆ NUM_ENV_PARAM_

#define NUM_ENV_PARAM_ 1

Definition at line 31 of file rxn_surface.c.

◆ NUM_FLOAT_PROP_

#define NUM_FLOAT_PROP_ 3

Definition at line 30 of file rxn_surface.c.

◆ NUM_INT_PROP_

#define NUM_INT_PROP_ 3

Definition at line 29 of file rxn_surface.c.

◆ NUM_PROD_

#define NUM_PROD_ int_data[2]

Definition at line 27 of file rxn_surface.c.

◆ PHASE_FLOAT_LOC_

#define PHASE_FLOAT_LOC_ ( x ) (int_data[NUM_INT_PROP_ + 2 + 3 * NUM_PROD_ + NUM_AERO_PHASE_ + x] - 1)

Definition at line 37 of file rxn_surface.c.

◆ PHASE_INT_LOC_

#define PHASE_INT_LOC_ ( x ) (int_data[NUM_INT_PROP_ + 2 + 3 * NUM_PROD_ + x] - 1)

Definition at line 35 of file rxn_surface.c.

◆ PHASE_JAC_ID_

#define PHASE_JAC_ID_	(	x,
		s,
		e
	)	int_data[PHASE_INT_LOC_(x) + 3 + (s) * NUM_AERO_PHASE_JAC_ELEM_(x) + e]

Definition at line 42 of file rxn_surface.c.

◆ PRESSURE_PA_

#define PRESSURE_PA_ env_data[1]

Definition at line 20 of file rxn_surface.c.

◆ PROD_ID_

#define PROD_ID_ ( x ) (int_data[NUM_INT_PROP_ + x] - 1)

Definition at line 32 of file rxn_surface.c.

◆ REACT_ID_

#define REACT_ID_ (int_data[1] - 1)

Definition at line 26 of file rxn_surface.c.

◆ TEMPERATURE_K_

#define TEMPERATURE_K_ env_data[0]

Definition at line 19 of file rxn_surface.c.

◆ YIELD_

#define YIELD_ ( x ) float_data[NUM_FLOAT_PROP_ + x]

Definition at line 44 of file rxn_surface.c.

Function Documentation

◆ rxn_surface_calc_deriv_contrib()

void rxn_surface_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the time derivative \(f(t,y)\) from this reaction.

Parameters

model_data	Pointer to the model data, including the state array
time_deriv	TimeDerivative object
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being computed (s)

Definition at line 203 of file rxn_surface.c.

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◆ rxn_surface_calc_jac_contrib()

void rxn_surface_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		realtype	time_step
	)

Calculate contributions to the Jacobian from this reaction.

Parameters

model_data	Pointer to the model data
jac	Reaction Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters
time_step	Current time step being calculated (s)

Definition at line 264 of file rxn_surface.c.

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◆ rxn_surface_get_used_jac_elem()

void rxn_surface_get_used_jac_elem	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
jac	Jacobian

Definition at line 56 of file rxn_surface.c.

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◆ rxn_surface_print()

void rxn_surface_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the surface reaction parameters.

Parameters

rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 363 of file rxn_surface.c.

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◆ rxn_surface_update_env_state()

void rxn_surface_update_env_state	(	ModelData *	model_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data for new environmental conditions.

For surface reactions this only involves calculating the mean speed of the reacting species

Parameters

model_data	Pointer to the model data
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data
rxn_env_data	Pointer to the environment-dependent parameters

Definition at line 178 of file rxn_surface.c.

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◆ rxn_surface_update_ids()

void rxn_surface_update_ids	(	ModelData *	model_data,
		int *	deriv_ids,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data
	)

Update the time derivative and Jacbobian array indices.

Parameters

model_data	Pointer to the model data
deriv_ids	Id of each state variable in the derivative array
jac	Jacobian
rxn_int_data	Pointer to the reaction integer data
rxn_float_data	Pointer to the reaction floating-point data

Definition at line 132 of file rxn_surface.c.

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Macros

Functions

Detailed Description

Macro Definition Documentation

◆ AERO_PHASE_ID_

◆ AERO_REP_ID_

◆ DERIV_ID_

◆ DIFF_COEFF_

◆ EFF_RAD_JAC_ELEM_

◆ GAMMA_

◆ JAC_ID_

◆ MEAN_SPEED_MS_

◆ MW_

◆ NUM_AERO_PHASE_

◆ NUM_AERO_PHASE_JAC_ELEM_

◆ NUM_CONC_JAC_ELEM_

◆ NUM_ENV_PARAM_

◆ NUM_FLOAT_PROP_

◆ NUM_INT_PROP_

◆ NUM_PROD_

◆ PHASE_FLOAT_LOC_

◆ PHASE_INT_LOC_

◆ PHASE_JAC_ID_

◆ PRESSURE_PA_

◆ PROD_ID_

◆ REACT_ID_

◆ TEMPERATURE_K_

◆ YIELD_

Function Documentation

◆ rxn_surface_calc_deriv_contrib()

◆ rxn_surface_calc_jac_contrib()

◆ rxn_surface_get_used_jac_elem()

◆ rxn_surface_print()

◆ rxn_surface_update_env_state()

◆ rxn_surface_update_ids()