Classes
class	Cloud

struct	Functionality

class	SmartKd

class	SmartRescaler

struct	t_gamma

Functions
static double	Al_Cc (double D, double pH)

void	Compute_I_D (double s, double Ca, double Al, double DIC, double SO4, double I, double D, t_gamma *gamma)

void	Compute_I_pH (number s, number H, number Ca, number Al, number DIC, number SO4, number &I, number &pH)

static double	Compute_pH (double H, double OH, double Delta_H, double Delta_OH, double logIWc, const t_gamma gamma)

static double	logIAP_Cc (double Ca, double DIC, double pH, const t_gamma *gamma)

static double	logIAP_gG (double Al, double pH, const t_gamma *gamma)

number	pH_of_sHD (number s, number H, number D)

static double	Sig_Al_OH (double pH)

static double	Sig_CO3_H (double pH)

template<typename TGridFunction >
static void	SmartChem (SmartPtr< TGridFunction > spGF, SmartPtr< TGridFunction > spGF2, const char nuclides, Cloud cloud, number porosity, number rock_density)

template<typename TGridFunction >
static void	SmartChemEquilibrate (SmartPtr< TGridFunction > spGF, SmartPtr< TGridFunction > spGF2)

int	SmartEquilibrate (double &H_T, double &OH_T, double &s, double &Ca_T, double &DIC_T, double &SO4_T, double &Al_T, double &Cc_T)

static void	Update_H_OH (double H, double OH, double pH, const t_gamma *gamma)

Variables
const double	ADH = 0.5114

const double	epsAlCl = 0.33

const double	epsAlOH2Cl = -0.27

const double	epsAlOH4Na = -0.07

const double	epsAlOHCl = 0.09

const double	epsCaCl = 0.14

const double	epsCO3Na = -0.08

const double	epsHCl = 0.12

const double	epsHCO3Na = 0.0

const double	epsOHNa = 0.04

const double	KAlOH = exp10(logKAlOH)

const double	KAlOH2 = exp10(logKAlOH2)

const double	KAlOH3 = exp10(logKAlOH3)

const double	KAlOH4 = exp10(logKAlOH4)

const double	KCO3 = exp10(logKCO3)

const double	KHCO3 = exp10(logKHCO3)

const double	logIW_0 = -13.9995

const double	logKAlOH = -4.9573

const double	logKAlOH2 = -10.5943

const double	logKAlOH3 = -16.4328

const double	logKAlOH4 = -22.8797

const double	logKCO3 = 10.3289

const double	logKHCO3 = 16.6808

const double	logKspCc = - 8.481

const double	logKspgG = 10.35

const double	NaCl_sat = 5428.78

Function Documentation

◆ Al_Cc()

static double ug::smile::Al_Cc	(	double	D,
		double	pH
	)

static

References exp10, logKAlOH, logKAlOH2, logKAlOH3, logKAlOH4, and logKspgG.

Referenced by SmartEquilibrate().

◆ Compute_I_D()

void ug::smile::Compute_I_D	(	double	s,
		double	Ca,
		double	Al,
		double	DIC,
		double	SO4,
		double *	I,
		double *	D,
		t_gamma *	gamma
	)

◆ Compute_I_pH()

void ug::smile::Compute_I_pH	(	number	s,
		number	H,
		number	Ca,
		number	Al,
		number	DIC,
		number	SO4,
		number &	I,
		number &	pH
	)

References ADH, pH_of_sHD(), and s.

Referenced by ug::smile::SmartKd< dim >::compute_I_pH_m3(), and SmartChem().

◆ Compute_pH()

static double ug::smile::Compute_pH	(	double	H,
		double	OH,
		double	Delta_H,
		double	Delta_OH,
		double *	logIWc,
		const t_gamma *	gamma
	)

static

References exp10, ug::smile::t_gamma::H, logIW_0, ug::smile::t_gamma::OH, and UG_LOG.

Referenced by SmartEquilibrate().

◆ logIAP_Cc()

static double ug::smile::logIAP_Cc	(	double	Ca,
		double	DIC,
		double	pH,
		const t_gamma *	gamma
	)

static

References ug::smile::t_gamma::Ca, ug::smile::t_gamma::CO3, exp10, ug::smile::t_gamma::HCO3, KCO3, and KHCO3.

Referenced by SmartEquilibrate().

◆ logIAP_gG()

static double ug::smile::logIAP_gG	(	double	Al,
		double	pH,
		const t_gamma *	gamma
	)

static

References ug::smile::t_gamma::Al3, ug::smile::t_gamma::AlOH, ug::smile::t_gamma::AlOH2, ug::smile::t_gamma::AlOH4, exp10, KAlOH, KAlOH2, KAlOH3, and KAlOH4.

Referenced by SmartEquilibrate().

◆ pH_of_sHD()

number ug::smile::pH_of_sHD	(	number	s,
		number	H,
		number	D
	)

References epsHCl, and s.

Referenced by Compute_I_pH(), SmartChem(), and SmartEquilibrate().

◆ Sig_Al_OH()

static double ug::smile::Sig_Al_OH ( double pH )

static

Referenced by SmartEquilibrate().

◆ Sig_CO3_H()

static double ug::smile::Sig_CO3_H ( double pH )

static

Referenced by SmartEquilibrate().

◆ SmartChem()

template<typename TGridFunction >

static void ug::smile::SmartChem	(	SmartPtr< TGridFunction >	spGF,
		SmartPtr< TGridFunction >	spGF2,
		const char *	nuclides,
		Cloud *	cloud,
		number	porosity,
		number	rock_density
	)

static

Evaluates the chemical equilibrium at all the grid vertices of a given subset. Rescale the components according to the mass change.

References CLOUD_MAX_NUCLIDES, Compute_I_D(), Compute_I_pH(), ug::DoFRef(), ug::GridObject::grid_data_index(), ug::smile::Cloud::interpolate(), pH_of_sHD(), s, SmartEquilibrate(), UG_LOG, and UG_THROW.

◆ SmartChemEquilibrate()

template<typename TGridFunction >

static void ug::smile::SmartChemEquilibrate	(	SmartPtr< TGridFunction >	spGF,
		SmartPtr< TGridFunction >	spGF2
	)

static

Evaluates the chemical equilibrium at all the grid vertices of a given subset

References ug::DoFRef(), ug::GridObject::grid_data_index(), NaCl_sat, s, SmartEquilibrate(), UG_LOG, and UG_THROW.

◆ SmartEquilibrate()

int ug::smile::SmartEquilibrate	(	double &	H_T,
		double &	OH_T,
		double &	s,
		double &	Ca_T,
		double &	DIC_T,
		double &	SO4_T,
		double &	Al_T,
		double &	Cc_T
	)

References Al_Cc(), Compute_I_D(), Compute_pH(), logIAP_Cc(), logIAP_gG(), logKspCc, logKspgG, pH_of_sHD(), s, Sig_Al_OH(), Sig_CO3_H(), UG_LOG, and Update_H_OH().

Referenced by SmartChem(), and SmartChemEquilibrate().

◆ Update_H_OH()

static void ug::smile::Update_H_OH	(	double *	H,
		double *	OH,
		double	pH,
		const t_gamma *	gamma
	)

static

References exp10, ug::smile::t_gamma::H, logIW_0, and ug::smile::t_gamma::OH.

Referenced by SmartEquilibrate().

Variable Documentation

◆ ADH

const double ug::smile::ADH = 0.5114

Referenced by Compute_I_D(), and Compute_I_pH().

◆ epsAlCl

const double ug::smile::epsAlCl = 0.33

Referenced by Compute_I_D().

◆ epsAlOH2Cl

const double ug::smile::epsAlOH2Cl = -0.27

Referenced by Compute_I_D().

◆ epsAlOH4Na

const double ug::smile::epsAlOH4Na = -0.07

Referenced by Compute_I_D().

◆ epsAlOHCl

const double ug::smile::epsAlOHCl = 0.09

Referenced by Compute_I_D().

◆ epsCaCl

const double ug::smile::epsCaCl = 0.14

Referenced by Compute_I_D().

◆ epsCO3Na

const double ug::smile::epsCO3Na = -0.08

Referenced by Compute_I_D().

◆ epsHCl

const double ug::smile::epsHCl = 0.12

Referenced by Compute_I_D(), and pH_of_sHD().

◆ epsHCO3Na

const double ug::smile::epsHCO3Na = 0.0

Referenced by Compute_I_D().

◆ epsOHNa

const double ug::smile::epsOHNa = 0.04

Referenced by Compute_I_D().

◆ KAlOH

const double ug::smile::KAlOH = exp10(logKAlOH)

Referenced by logIAP_gG().

◆ KAlOH2

const double ug::smile::KAlOH2 = exp10(logKAlOH2)

Referenced by logIAP_gG().

◆ KAlOH3

const double ug::smile::KAlOH3 = exp10(logKAlOH3)

Referenced by logIAP_gG().

◆ KAlOH4

const double ug::smile::KAlOH4 = exp10(logKAlOH4)

Referenced by logIAP_gG().

◆ KCO3

const double ug::smile::KCO3 = exp10(logKCO3)

Referenced by logIAP_Cc().

◆ KHCO3

const double ug::smile::KHCO3 = exp10(logKHCO3)

Referenced by logIAP_Cc().

◆ logIW_0

const double ug::smile::logIW_0 = -13.9995

Referenced by Compute_pH(), and Update_H_OH().

◆ logKAlOH

const double ug::smile::logKAlOH = -4.9573

Referenced by Al_Cc().

◆ logKAlOH2

const double ug::smile::logKAlOH2 = -10.5943

Referenced by Al_Cc().

◆ logKAlOH3

const double ug::smile::logKAlOH3 = -16.4328

Referenced by Al_Cc().

◆ logKAlOH4

const double ug::smile::logKAlOH4 = -22.8797

Referenced by Al_Cc().

◆ logKCO3

const double ug::smile::logKCO3 = 10.3289

◆ logKHCO3

const double ug::smile::logKHCO3 = 16.6808

◆ logKspCc

const double ug::smile::logKspCc = - 8.481

Referenced by SmartEquilibrate().

◆ logKspgG

const double ug::smile::logKspgG = 10.35

Referenced by Al_Cc(), and SmartEquilibrate().

◆ NaCl_sat

const double ug::smile::NaCl_sat = 5428.78

Referenced by ug::smile::SmartKd< dim >::compute_I_pH_m3(), and SmartChemEquilibrate().

Classes

Functions

Variables

Function Documentation

◆ Al_Cc()

◆ Compute_I_D()

◆ Compute_I_pH()

◆ Compute_pH()

◆ logIAP_Cc()

◆ logIAP_gG()

◆ pH_of_sHD()

◆ Sig_Al_OH()

◆ Sig_CO3_H()

◆ SmartChem()

◆ SmartChemEquilibrate()

◆ SmartEquilibrate()

◆ Update_H_OH()

Variable Documentation

◆ ADH

◆ epsAlCl

◆ epsAlOH2Cl

◆ epsAlOH4Na

◆ epsAlOHCl

◆ epsCaCl

◆ epsCO3Na

◆ epsHCl

◆ epsHCO3Na

◆ epsOHNa

◆ KAlOH

◆ KAlOH2

◆ KAlOH3

◆ KAlOH4

◆ KCO3

◆ KHCO3

◆ logIW_0

◆ logKAlOH

◆ logKAlOH2

◆ logKAlOH3

◆ logKAlOH4

◆ logKCO3

◆ logKHCO3

◆ logKspCc

◆ logKspgG

◆ NaCl_sat