rxn_SIMPOL_phase_transfer.c File Reference

Phase Transfer reaction solver functions. More...

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Macros
#define	TEMPERATURE_K_   env_data[0]
#define	PRESSURE_PA_   env_data[1]
#define	JAC_GAS   0
#define	JAC_AERO   1
#define	PER_PARTICLE_MASS   0
#define	TOTAL_PARTICLE_MASS   1
#define	DELTA_H_   float_data[0]
#define	DELTA_S_   float_data[1]
#define	DIFF_COEFF_   float_data[2]
#define	PRE_C_AVG_   float_data[3]
#define	B1_   float_data[4]
#define	B2_   float_data[5]
#define	B3_   float_data[6]
#define	B4_   float_data[7]
#define	CONV_   float_data[8]
#define	MW_   float_data[9]
#define	NUM_AERO_PHASE_   int_data[0]
#define	GAS_SPEC_   (int_data[1] - 1)
#define	MFP_M_   rxn_env_data[0]
#define	ALPHA_   rxn_env_data[1]
#define	EQUIL_CONST_   rxn_env_data[2]
#define	KGM3_TO_PPM_   rxn_env_data[3]
#define	NUM_INT_PROP_   2
#define	NUM_FLOAT_PROP_   10
#define	NUM_ENV_PARAM_   4
#define	AERO_SPEC_(x)
#define	AERO_ACT_ID_(x)
#define	AERO_PHASE_ID_(x)
#define	AERO_REP_ID_(x)
#define	DERIV_ID_(x)
#define	GAS_ACT_JAC_ID_(x)
#define	AERO_ACT_JAC_ID_(x)
#define	JAC_ID_(x)
#define	PHASE_INT_LOC_(x)
#define	PHASE_FLOAT_LOC_(x)
#define	NUM_AERO_PHASE_JAC_ELEM_(x)
#define	PHASE_JAC_ID_(x, s, e)
#define	EFF_RAD_JAC_ELEM_(x, e)
#define	NUM_CONC_JAC_ELEM_(x, e)
#define	MASS_JAC_ELEM_(x, e)
#define	MW_JAC_ELEM_(x, e)

Functions
void	rxn_SIMPOL_phase_transfer_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_SIMPOL_phase_transfer_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_SIMPOL_phase_transfer_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_SIMPOL_phase_transfer_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_SIMPOL_phase_transfer_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_SIMPOL_phase_transfer_print (int *rxn_int_data, double *rxn_float_data)
	Print the Phase Transfer reaction parameters.

Detailed Description

Phase Transfer reaction solver functions.

Definition in file rxn_SIMPOL_phase_transfer.c.

Macro Definition Documentation

AERO_ACT_ID_

#define AERO_ACT_ID_

(

x

)

Value:

(int_data[NUM_INT_PROP_ + NUM_AERO_PHASE_ + x] - 1)

Definition at line 51 of file rxn_SIMPOL_phase_transfer.c.

AERO_ACT_JAC_ID_

#define AERO_ACT_JAC_ID_

(

x

)

Value:

  int_data[NUM_INT_PROP_ + 1 + 6 * (NUM_AERO_PHASE_) + x]

Definition at line 59 of file rxn_SIMPOL_phase_transfer.c.

AERO_PHASE_ID_

#define AERO_PHASE_ID_

(

x

)

Value:

  (int_data[NUM_INT_PROP_ + 2 * (NUM_AERO_PHASE_) + x] - 1)

Definition at line 52 of file rxn_SIMPOL_phase_transfer.c.

AERO_REP_ID_

#define AERO_REP_ID_

(

x

)

Value:

  (int_data[NUM_INT_PROP_ + 3 * (NUM_AERO_PHASE_) + x] - 1)

Definition at line 54 of file rxn_SIMPOL_phase_transfer.c.

AERO_SPEC_

#define AERO_SPEC_

(

x

)

Value:

(int_data[NUM_INT_PROP_ + x] - 1)

Definition at line 50 of file rxn_SIMPOL_phase_transfer.c.

ALPHA_

#define ALPHA_   rxn_env_data[1]

Definition at line 44 of file rxn_SIMPOL_phase_transfer.c.

B1_

#define B1_   float_data[4]

Definition at line 35 of file rxn_SIMPOL_phase_transfer.c.

B2_

#define B2_   float_data[5]

Definition at line 36 of file rxn_SIMPOL_phase_transfer.c.

B3_

#define B3_   float_data[6]

Definition at line 37 of file rxn_SIMPOL_phase_transfer.c.

B4_

#define B4_   float_data[7]

Definition at line 38 of file rxn_SIMPOL_phase_transfer.c.

CONV_

#define CONV_   float_data[8]

Definition at line 39 of file rxn_SIMPOL_phase_transfer.c.

DELTA_H_

#define DELTA_H_   float_data[0]

Definition at line 31 of file rxn_SIMPOL_phase_transfer.c.

DELTA_S_

#define DELTA_S_   float_data[1]

Definition at line 32 of file rxn_SIMPOL_phase_transfer.c.

DERIV_ID_

#define DERIV_ID_

(

x

)

Value:

(int_data[NUM_INT_PROP_ + 4 * (NUM_AERO_PHASE_) + x])

Definition at line 56 of file rxn_SIMPOL_phase_transfer.c.

DIFF_COEFF_

#define DIFF_COEFF_   float_data[2]

Definition at line 33 of file rxn_SIMPOL_phase_transfer.c.

EFF_RAD_JAC_ELEM_

#define EFF_RAD_JAC_ELEM_	(		x,
			e )

Value:

float_data[PHASE_FLOAT_LOC_(x) + e]

Definition at line 69 of file rxn_SIMPOL_phase_transfer.c.

EQUIL_CONST_

#define EQUIL_CONST_   rxn_env_data[2]

Definition at line 45 of file rxn_SIMPOL_phase_transfer.c.

GAS_ACT_JAC_ID_

#define GAS_ACT_JAC_ID_

(

x

)

Value:

  int_data[NUM_INT_PROP_ + 1 + 5 * (NUM_AERO_PHASE_) + x]

Definition at line 57 of file rxn_SIMPOL_phase_transfer.c.

GAS_SPEC_

#define GAS_SPEC_   (int_data[1] - 1)

Definition at line 42 of file rxn_SIMPOL_phase_transfer.c.

JAC_AERO

#define JAC_AERO   1

Definition at line 25 of file rxn_SIMPOL_phase_transfer.c.

JAC_GAS

#define JAC_GAS   0

Definition at line 24 of file rxn_SIMPOL_phase_transfer.c.

JAC_ID_

#define JAC_ID_

(

x

)

Value:

(int_data[NUM_INT_PROP_ + 1 + 7 * (NUM_AERO_PHASE_) + x])

Definition at line 61 of file rxn_SIMPOL_phase_transfer.c.

KGM3_TO_PPM_

#define KGM3_TO_PPM_   rxn_env_data[3]

Definition at line 46 of file rxn_SIMPOL_phase_transfer.c.

MASS_JAC_ELEM_

#define MASS_JAC_ELEM_	(		x,
			e )

Value:

  float_data[PHASE_FLOAT_LOC_(x) + 2 * NUM_AERO_PHASE_JAC_ELEM_(x) + e]

Definition at line 72 of file rxn_SIMPOL_phase_transfer.c.

MFP_M_

#define MFP_M_   rxn_env_data[0]

Definition at line 43 of file rxn_SIMPOL_phase_transfer.c.

MW_

#define MW_   float_data[9]

Definition at line 40 of file rxn_SIMPOL_phase_transfer.c.

MW_JAC_ELEM_

#define MW_JAC_ELEM_	(		x,
			e )

Value:

  float_data[PHASE_FLOAT_LOC_(x) + 3 * NUM_AERO_PHASE_JAC_ELEM_(x) + e]

Definition at line 74 of file rxn_SIMPOL_phase_transfer.c.

NUM_AERO_PHASE_

#define NUM_AERO_PHASE_   int_data[0]

Definition at line 41 of file rxn_SIMPOL_phase_transfer.c.

NUM_AERO_PHASE_JAC_ELEM_

#define NUM_AERO_PHASE_JAC_ELEM_

(

x

)

Value:

(int_data[PHASE_INT_LOC_(x)])

Definition at line 66 of file rxn_SIMPOL_phase_transfer.c.

NUM_CONC_JAC_ELEM_

#define NUM_CONC_JAC_ELEM_	(		x,
			e )

Value:

  float_data[PHASE_FLOAT_LOC_(x) + NUM_AERO_PHASE_JAC_ELEM_(x) + e]

Definition at line 70 of file rxn_SIMPOL_phase_transfer.c.

NUM_ENV_PARAM_

#define NUM_ENV_PARAM_   4

Definition at line 49 of file rxn_SIMPOL_phase_transfer.c.

NUM_FLOAT_PROP_

#define NUM_FLOAT_PROP_   10

Definition at line 48 of file rxn_SIMPOL_phase_transfer.c.

NUM_INT_PROP_

#define NUM_INT_PROP_   2

Definition at line 47 of file rxn_SIMPOL_phase_transfer.c.

PER_PARTICLE_MASS

#define PER_PARTICLE_MASS   0

Definition at line 28 of file rxn_SIMPOL_phase_transfer.c.

PHASE_FLOAT_LOC_

#define PHASE_FLOAT_LOC_

(

x

)

Value:

  (int_data[NUM_INT_PROP_ + 2 + 11 * (NUM_AERO_PHASE_) + x] - 1)

Definition at line 64 of file rxn_SIMPOL_phase_transfer.c.

PHASE_INT_LOC_

#define PHASE_INT_LOC_

(

x

)

Value:

  (int_data[NUM_INT_PROP_ + 2 + 10 * (NUM_AERO_PHASE_) + x] - 1)

Definition at line 62 of file rxn_SIMPOL_phase_transfer.c.

PHASE_JAC_ID_

#define PHASE_JAC_ID_	(		x,
			s,
			e )

Value:

  int_data[PHASE_INT_LOC_(x) + 1 + (s) * NUM_AERO_PHASE_JAC_ELEM_(x) + e]

Definition at line 67 of file rxn_SIMPOL_phase_transfer.c.

PRE_C_AVG_

#define PRE_C_AVG_   float_data[3]

Definition at line 34 of file rxn_SIMPOL_phase_transfer.c.

PRESSURE_PA_

#define PRESSURE_PA_   env_data[1]

Definition at line 21 of file rxn_SIMPOL_phase_transfer.c.

TEMPERATURE_K_

#define TEMPERATURE_K_   env_data[0]

Definition at line 20 of file rxn_SIMPOL_phase_transfer.c.

TOTAL_PARTICLE_MASS

#define TOTAL_PARTICLE_MASS   1

Definition at line 29 of file rxn_SIMPOL_phase_transfer.c.

Function Documentation

rxn_SIMPOL_phase_transfer_calc_deriv_contrib()

void rxn_SIMPOL_phase_transfer_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 279 of file rxn_SIMPOL_phase_transfer.c.

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rxn_SIMPOL_phase_transfer_calc_jac_contrib()

void rxn_SIMPOL_phase_transfer_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 415 of file rxn_SIMPOL_phase_transfer.c.

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rxn_SIMPOL_phase_transfer_get_used_jac_elem()

void rxn_SIMPOL_phase_transfer_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 84 of file rxn_SIMPOL_phase_transfer.c.

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rxn_SIMPOL_phase_transfer_print()

void rxn_SIMPOL_phase_transfer_print	(	int *	rxn_int_data,
		double *	rxn_float_data )

Print the Phase Transfer 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 751 of file rxn_SIMPOL_phase_transfer.c.

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rxn_SIMPOL_phase_transfer_update_env_state()

void rxn_SIMPOL_phase_transfer_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 Phase Transfer reaction this only involves recalculating the 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

save the mean free path [m] for calculating condensation rates

Definition at line 220 of file rxn_SIMPOL_phase_transfer.c.

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rxn_SIMPOL_phase_transfer_update_ids()

void rxn_SIMPOL_phase_transfer_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 for finding sub model ids
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 163 of file rxn_SIMPOL_phase_transfer.c.

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