Condensed Phase Arrhenius reaction solver functions. More...

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Macros
#define	TEMPERATURE_K_ env_data[0]

#define	PRESSURE_PA_ env_data[1]

#define	NUM_REACT_ (int_data[0])

#define	NUM_PROD_ (int_data[1])

#define	NUM_AERO_PHASE_ (int_data[2])

#define	A_ (float_data[0])

#define	B_ (float_data[1])

#define	C_ (float_data[2])

#define	D_ (float_data[3])

#define	E_ (float_data[4])

#define	RATE_CONSTANT_ (rxn_env_data[0])

#define	NUM_INT_PROP_ 3

#define	NUM_FLOAT_PROP_ 5

#define	NUM_ENV_PARAM_ 1

#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_arrhenius_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_arrhenius_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_condensed_phase_arrhenius_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_arrhenius_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_arrhenius_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_arrhenius_print (int rxn_int_data, double rxn_float_data)
	Print the Condensed Phase Arrhenius reaction parameters.

Detailed Description

Condensed Phase Arrhenius reaction solver functions.

Definition in file rxn_condensed_phase_arrhenius.c.

Macro Definition Documentation

◆ A_

#define A_ (float_data[0])

Definition at line 23 of file rxn_condensed_phase_arrhenius.c.

◆ B_

#define B_ (float_data[1])

Definition at line 24 of file rxn_condensed_phase_arrhenius.c.

◆ C_

#define C_ (float_data[2])

Definition at line 25 of file rxn_condensed_phase_arrhenius.c.

◆ D_

#define D_ (float_data[3])

Definition at line 26 of file rxn_condensed_phase_arrhenius.c.

◆ DERIV_ID_

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

Definition at line 37 of file rxn_condensed_phase_arrhenius.c.

◆ E_

#define E_ (float_data[4])

Definition at line 27 of file rxn_condensed_phase_arrhenius.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_arrhenius.c:20

NUM_INT_PROP_

#define NUM_INT_PROP_

Definition rxn_condensed_phase_arrhenius.c:29

NUM_PROD_

#define NUM_PROD_

Definition rxn_condensed_phase_arrhenius.c:21

NUM_AERO_PHASE_

#define NUM_AERO_PHASE_

Definition rxn_condensed_phase_arrhenius.c:22

Definition at line 39 of file rxn_condensed_phase_arrhenius.c.

◆ KGM3_TO_MOLM3_

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

Definition at line 43 of file rxn_condensed_phase_arrhenius.c.

◆ NUM_AERO_PHASE_

#define NUM_AERO_PHASE_ (int_data[2])

Definition at line 22 of file rxn_condensed_phase_arrhenius.c.

◆ NUM_ENV_PARAM_

#define NUM_ENV_PARAM_ 1

Definition at line 31 of file rxn_condensed_phase_arrhenius.c.

◆ NUM_FLOAT_PROP_

#define NUM_FLOAT_PROP_ 5

Definition at line 30 of file rxn_condensed_phase_arrhenius.c.

◆ NUM_INT_PROP_

#define NUM_INT_PROP_ 3

Definition at line 29 of file rxn_condensed_phase_arrhenius.c.

◆ NUM_PROD_

#define NUM_PROD_ (int_data[1])

Definition at line 21 of file rxn_condensed_phase_arrhenius.c.

◆ NUM_REACT_

#define NUM_REACT_ (int_data[0])

Definition at line 20 of file rxn_condensed_phase_arrhenius.c.

◆ PRESSURE_PA_

#define PRESSURE_PA_ env_data[1]

Definition at line 18 of file rxn_condensed_phase_arrhenius.c.

◆ PROD_

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

Definition at line 33 of file rxn_condensed_phase_arrhenius.c.

◆ RATE_CONSTANT_

#define RATE_CONSTANT_ (rxn_env_data[0])

Definition at line 28 of file rxn_condensed_phase_arrhenius.c.

◆ REACT_

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

Definition at line 32 of file rxn_condensed_phase_arrhenius.c.

◆ TEMPERATURE_K_

#define TEMPERATURE_K_ env_data[0]

Definition at line 17 of file rxn_condensed_phase_arrhenius.c.

◆ WATER_

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

Definition at line 35 of file rxn_condensed_phase_arrhenius.c.

◆ YIELD_

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

Definition at line 42 of file rxn_condensed_phase_arrhenius.c.

Function Documentation

◆ rxn_condensed_phase_arrhenius_calc_deriv_contrib()

void rxn_condensed_phase_arrhenius_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 184 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_calc_jac_contrib()

void rxn_condensed_phase_arrhenius_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 252 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_get_used_jac_elem()

void rxn_condensed_phase_arrhenius_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 51 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_print()

void rxn_condensed_phase_arrhenius_print	(	int *	rxn_int_data,
		double *	rxn_float_data
	)

Print the Condensed Phase Arrhenius 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 359 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_update_env_state()

void rxn_condensed_phase_arrhenius_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 Arrhenius 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 156 of file rxn_condensed_phase_arrhenius.c.

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◆ rxn_condensed_phase_arrhenius_update_ids()

void rxn_condensed_phase_arrhenius_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 94 of file rxn_condensed_phase_arrhenius.c.

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Macros

Functions

Detailed Description

Macro Definition Documentation

◆ A_

◆ B_

◆ C_

◆ D_

◆ DERIV_ID_

◆ E_

◆ JAC_ID_

◆ KGM3_TO_MOLM3_

◆ NUM_AERO_PHASE_

◆ NUM_ENV_PARAM_

◆ NUM_FLOAT_PROP_

◆ NUM_INT_PROP_

◆ NUM_PROD_

◆ NUM_REACT_

◆ PRESSURE_PA_

◆ PROD_

◆ RATE_CONSTANT_

◆ REACT_

◆ TEMPERATURE_K_

◆ WATER_

◆ YIELD_

Function Documentation

◆ rxn_condensed_phase_arrhenius_calc_deriv_contrib()

◆ rxn_condensed_phase_arrhenius_calc_jac_contrib()

◆ rxn_condensed_phase_arrhenius_get_used_jac_elem()

◆ rxn_condensed_phase_arrhenius_print()

◆ rxn_condensed_phase_arrhenius_update_env_state()

◆ rxn_condensed_phase_arrhenius_update_ids()