Condensed Phase photolysis reaction solver functions. More...

Include dependency graph for rxn_condensed_phase_photolysis.c:

Macros
#define	NUM_REACT_ int_data[0]

#define	NUM_PROD_ int_data[1]

#define	NUM_AERO_PHASE_ int_data[2]

#define	RXN_ID_ int_data[3]

#define	SCALING_ float_data[0]

#define	RATE_CONSTANT_ rxn_env_data[0]

#define	BASE_RATE_ rxn_env_data[1]

#define	NUM_INT_PROP_ 4

#define	NUM_FLOAT_PROP_ 1

#define	NUM_ENV_PARAM_ 2

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

#define	PROD_(x) (int_data[NUM_INT_PROP_ + NUM_REACT_ * NUM_AERO_PHASE_ + x] - 1)

#define	WATER_(x) (int_data[NUM_INT_PROP_ + (NUM_REACT_ + NUM_PROD_) * NUM_AERO_PHASE_ + x] - 1)

#define	DERIV_ID_(x) (int_data[NUM_INT_PROP_ + (NUM_REACT_ + NUM_PROD_ + 1) * NUM_AERO_PHASE_ + x])

#define	JAC_ID_(x)

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

#define	KGM3_TO_MOLM3_(x) (float_data[NUM_FLOAT_PROP_ + NUM_PROD_ + x])

Functions
void	rxn_condensed_phase_photolysis_get_used_jac_elem (int rxn_int_data, double rxn_float_data, Jacobian *jac)
	Flag Jacobian elements used by this reaction.

void	rxn_condensed_phase_photolysis_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.

bool	rxn_condensed_phase_photolysis_update_data (void update_data, int rxn_int_data, double rxn_float_data, double rxn_env_data)
	Update reaction data.

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

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

void	rxn_condensed_phase_photolysis_print (int rxn_int_data, double rxn_float_data)
	Print the Condensed Phase photolysis reaction parameters.

void *	rxn_condensed_phase_photolysis_create_rate_update_data ()
	Create update data for new photolysis rates.

void	rxn_condensed_phase_photolysis_set_rate_update_data (void *update_data, int photo_id, double base_rate)
	Set rate update data.

Detailed Description

Condensed Phase photolysis reaction solver functions.

Definition in file rxn_condensed_phase_photolysis.c.

Macro Definition Documentation

◆ BASE_RATE_

#define BASE_RATE_ rxn_env_data[1]

Definition at line 22 of file rxn_condensed_phase_photolysis.c.

◆ DERIV_ID_

#define DERIV_ID_ ( x ) (int_data[NUM_INT_PROP_ + (NUM_REACT_ + NUM_PROD_ + 1) * NUM_AERO_PHASE_ + x])

Definition at line 31 of file rxn_condensed_phase_photolysis.c.

◆ JAC_ID_

#define JAC_ID_ ( x )

Value:

(int_data[NUM_INT_PROP_ + \

(2 * (NUM_REACT_ + NUM_PROD_) + 1) * NUM_AERO_PHASE_ + x])

NUM_REACT_

#define NUM_REACT_

Definition rxn_condensed_phase_photolysis.c:16

NUM_INT_PROP_

#define NUM_INT_PROP_

Definition rxn_condensed_phase_photolysis.c:23

NUM_PROD_

#define NUM_PROD_

Definition rxn_condensed_phase_photolysis.c:17

NUM_AERO_PHASE_

#define NUM_AERO_PHASE_

Definition rxn_condensed_phase_photolysis.c:18

Definition at line 33 of file rxn_condensed_phase_photolysis.c.

◆ KGM3_TO_MOLM3_

#define KGM3_TO_MOLM3_ ( x ) (float_data[NUM_FLOAT_PROP_ + NUM_PROD_ + x])

Definition at line 37 of file rxn_condensed_phase_photolysis.c.

◆ NUM_AERO_PHASE_

#define NUM_AERO_PHASE_ int_data[2]

Definition at line 18 of file rxn_condensed_phase_photolysis.c.

◆ NUM_ENV_PARAM_

#define NUM_ENV_PARAM_ 2

Definition at line 25 of file rxn_condensed_phase_photolysis.c.

◆ NUM_FLOAT_PROP_

#define NUM_FLOAT_PROP_ 1

Definition at line 24 of file rxn_condensed_phase_photolysis.c.

◆ NUM_INT_PROP_

#define NUM_INT_PROP_ 4

Definition at line 23 of file rxn_condensed_phase_photolysis.c.

◆ NUM_PROD_

#define NUM_PROD_ int_data[1]

Definition at line 17 of file rxn_condensed_phase_photolysis.c.

◆ NUM_REACT_

#define NUM_REACT_ int_data[0]

Definition at line 16 of file rxn_condensed_phase_photolysis.c.

◆ PROD_

#define PROD_ ( x ) (int_data[NUM_INT_PROP_ + NUM_REACT_ * NUM_AERO_PHASE_ + x] - 1)

Definition at line 27 of file rxn_condensed_phase_photolysis.c.

◆ RATE_CONSTANT_

#define RATE_CONSTANT_ rxn_env_data[0]

Definition at line 21 of file rxn_condensed_phase_photolysis.c.

◆ REACT_

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

Definition at line 26 of file rxn_condensed_phase_photolysis.c.

◆ RXN_ID_

#define RXN_ID_ int_data[3]

Definition at line 19 of file rxn_condensed_phase_photolysis.c.

◆ SCALING_

#define SCALING_ float_data[0]

Definition at line 20 of file rxn_condensed_phase_photolysis.c.

◆ WATER_

#define WATER_ ( x ) (int_data[NUM_INT_PROP_ + (NUM_REACT_ + NUM_PROD_) * NUM_AERO_PHASE_ + x] - 1)

Definition at line 29 of file rxn_condensed_phase_photolysis.c.

◆ YIELD_

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

Definition at line 36 of file rxn_condensed_phase_photolysis.c.

Function Documentation

◆ rxn_condensed_phase_photolysis_calc_deriv_contrib()

void rxn_condensed_phase_photolysis_calc_deriv_contrib	(	ModelData *	model_data,
		TimeDerivative	time_deriv,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		double	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 of the itegrator (s)

Definition at line 203 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_calc_jac_contrib()

void rxn_condensed_phase_photolysis_calc_jac_contrib	(	ModelData *	model_data,
		Jacobian	jac,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data,
		double	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 of the itegrator (s)

Definition at line 271 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_create_rate_update_data()

void * rxn_condensed_phase_photolysis_create_rate_update_data ( )

Create update data for new photolysis rates.

Returns: Pointer to a new rate update data object

Definition at line 464 of file rxn_condensed_phase_photolysis.c.

◆ rxn_condensed_phase_photolysis_get_used_jac_elem()

void rxn_condensed_phase_photolysis_get_used_jac_elem	(	int *	rxn_int_data,
		double *	rxn_float_data,
		Jacobian *	jac
	)

Flag Jacobian elements used by this reaction.

Parameters

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

Definition at line 45 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_print()

void rxn_condensed_phase_photolysis_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Condensed Phase photolysis 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 378 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_set_rate_update_data()

void rxn_condensed_phase_photolysis_set_rate_update_data	(	void *	update_data,
		int	photo_id,
		double	base_rate
	)

Set rate update data.

Parameters

update_data	Pointer to an allocated rate update data object
photo_id	Id of photolysis reactions to update
base_rate	New pre-scaling photolysis rate

Definition at line 479 of file rxn_condensed_phase_photolysis.c.

◆ rxn_condensed_phase_photolysis_update_data()

bool rxn_condensed_phase_photolysis_update_data	(	void *	update_data,
		int *	rxn_int_data,
		double *	rxn_float_data,
		double *	rxn_env_data
	)

Update reaction data.

Photolysis reactions can have their base (pre-scaling) rate constants updated from the host model based on the calculations of an external photolysis module. The structure of the update data is:

int photo_id (Id of one or more photolysis reactions set by the host model using the camp_rxn_photolysis::rxn_photolysis_t::set_photo_id function prior to initializing the solver.)
double rate_const (New pre-scaling rate constant.)

Parameters

update_data	Pointer to the updated reaction 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 data

Returns: Flag indicating whether this is the reaction to update

Definition at line 157 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_update_env_state()

void rxn_condensed_phase_photolysis_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 Condensed Phase photolysis reaction this only involves recalculating the forward rate constant.

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 185 of file rxn_condensed_phase_photolysis.c.

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◆ rxn_condensed_phase_photolysis_update_ids()

void rxn_condensed_phase_photolysis_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 88 of file rxn_condensed_phase_photolysis.c.

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Macros

Functions

Detailed Description

Macro Definition Documentation

◆ BASE_RATE_

◆ DERIV_ID_

◆ JAC_ID_

◆ KGM3_TO_MOLM3_

◆ NUM_AERO_PHASE_

◆ NUM_ENV_PARAM_

◆ NUM_FLOAT_PROP_

◆ NUM_INT_PROP_

◆ NUM_PROD_

◆ NUM_REACT_

◆ PROD_

◆ RATE_CONSTANT_

◆ REACT_

◆ RXN_ID_

◆ SCALING_

◆ WATER_

◆ YIELD_

Function Documentation

◆ rxn_condensed_phase_photolysis_calc_deriv_contrib()

◆ rxn_condensed_phase_photolysis_calc_jac_contrib()

◆ rxn_condensed_phase_photolysis_create_rate_update_data()

◆ rxn_condensed_phase_photolysis_get_used_jac_elem()

◆ rxn_condensed_phase_photolysis_print()

◆ rxn_condensed_phase_photolysis_set_rate_update_data()

◆ rxn_condensed_phase_photolysis_update_data()

◆ rxn_condensed_phase_photolysis_update_env_state()

◆ rxn_condensed_phase_photolysis_update_ids()