ActivityModelParamsPitzer Struct Reference

The parameters in the Pitzer activity model for aqueous electrolyte solutions. More...

#include <ActivityModelPitzer.hpp>

Classes
struct	InteractionParamAttribs
	The attributes of an interaction parameter in the Pitzer activity model. More...

Public Types
enum class	CorrectionModel {   Constant , Phreeqc , HeMorse1993 , Dai2013 ,   Dai2014 , ChristovMoller2004 , Holmes1987 , Pitzer1984 ,   PalabanPitzer1987 , Polya2001 , LiDuan2007 }
	The available temperature-pressure correction models for the Pitzer interaction parameters. More...

Public Attributes
Vec< InteractionParamAttribs >	beta0
	The parameters \(\beta^{(0)}_{ij}(T, P)\) in the Pitzer model for cation-anion interactions.
Vec< InteractionParamAttribs >	beta1
	The parameters \(\beta^{(1)}_{ij}(T, P)\) in the Pitzer model for cation-anion interactions.
Vec< InteractionParamAttribs >	beta2
	The parameters \(\beta^{(2)}_{ij}(T, P)\) in the Pitzer model for cation-anion interactions.
Vec< InteractionParamAttribs >	Cphi
	The parameters \(C^{\phi}_{ij}(T, P)\) in the Pitzer model for cation-anion interactions.
Vec< InteractionParamAttribs >	theta
	The parameters \(\theta_{ij}(T, P)\) in the Pitzer model for cation-cation and anion-anion interactions.
Vec< InteractionParamAttribs >	lambda
	The parameters \(\lambda_{ij}(T, P)\) in the Pitzer model for neutral-cation and neutral-anion interactions.
Vec< InteractionParamAttribs >	zeta
	The parameters \(\zeta_{ijk}(T, P)\) in the Pitzer model for neutral-cation-anion interactions.
Vec< InteractionParamAttribs >	psi
	The parameters \(\psi_{ijk}(T, P)\) in the Pitzer model for cation-cation-anion and anion-anion-cation interactions.
Vec< InteractionParamAttribs >	mu
	The parameters \(\mu_{ijk}(T, P)\) in the Pitzer model for neutral-neutral-neutral, neutral-neutral-cation, and neutral-neutral-anion interactions.
Vec< InteractionParamAttribs >	eta
	The parameters \(\eta_{ijk}(T, P)\) in the Pitzer model for neutral-cation-cation and neutral-anion-anion interactions.
Vec< InteractionParamAttribs >	alpha1
	The parameters \(\alpha_1_{ij}\) associated to the parameters \(\beta^{(1)}_{ij}\).
Vec< InteractionParamAttribs >	alpha2
	The parameters \(\alpha_2_{ij}\) associated to the parameters \(\beta^{(2)}_{ij}\).

Detailed Description

The parameters in the Pitzer activity model for aqueous electrolyte solutions.

Member Enumeration Documentation

CorrectionModel

enum CorrectionModel

strong

The available temperature-pressure correction models for the Pitzer interaction parameters.

Enumerator
Constant	Correction model based on formula \(\mathrm{Param}(T,P)=c_{0}\).
Phreeqc	Correction model based on formula \(\mathrm{Param}(T,P)=c_{0}+c_{1}\left(\dfrac{1}{T}-\dfrac{1}{T_{r}}\right)+c_{2}\ln\left(\dfrac{T}{T_{r}}\right)+c_{3}(T-T_{r})+c_{4}(T^{2}-T_{r}^{2})+c_{5}\left(\dfrac{1}{T^{2}}-\dfrac{1}{T_{r}^{2}}\right)\) from PHREEQC v3 where \(T_{r}=298.15\;\text{K}\).
HeMorse1993	Correction model based on formula \(\mathrm{Param}(T,P)=c_{0}+c_{1}T+c_{2}T^{2}+c_{3}/T+c_{4}\ln(T)\) from He and Morse (1993) (doi: 10.1016/0016-7037(93)90137-L).
Dai2013	Correction model based on formula \(\mathrm{Param}(T,P)=c_{0}+\dfrac{c_{1}}{T}+c_{2}T+c_{3}\ln T+c_{4}T^{2}+\left[c_{5}+\dfrac{c_{6}}{T}+c_{7}T+c_{8}\ln T+c_{9}T^{2}\right]P+\left[c_{10}+\dfrac{c_{11}}{T}+c_{12}T+c_{13}\ln T+c_{14}T^{2}\right]P^{2}+\left[c_{15}+\dfrac{c_{16}}{T}+c_{17}T+c_{18}\ln T+c_{19}T^{2}\right]P^{3}\) from Dai et al. (2013) (doi: 10.2118/164045-ms).
Dai2014	Correction model based on formula \(\mathrm{Param}(T,P)=c_{0}+\dfrac{c_{1}}{T}+c_{2}T+c_{3}\ln T+\left[c_{4}+\dfrac{c_{5}}{T}+c_{6}T+c_{7}\ln T\right]P+\left[c_{8}+\dfrac{c_{9}}{T}+c_{10}T+c_{11}\ln T\right]P^{2}\) from Dai et al. (2014) (doi: 10.2118/169786-ms).
ChristovMoller2004	Correction model based on formula \eq{} from Christov and Møller (2004) (see Table 5 in 10.1016/j.chemgeo.2007.07.023).
Holmes1987	Correction model based on formula \eq{} from Holmes et al. (1987) (see Table 6 in 10.1016/j.chemgeo.2007.07.023).
Pitzer1984	Correction model based on formula \eq{} from Pitzer et al. (1984) (see Table 7 in 10.1016/j.chemgeo.2007.07.023).
PalabanPitzer1987	Correction model based on formula \eq{} from Palaban and Pitzer (1987) (see Table 8 in 10.1016/j.chemgeo.2007.07.023).
Polya2001	Correction model based on formula \eq{} from Polya et al. (2001) (see Table 10 in 10.1016/j.chemgeo.2007.07.023).
LiDuan2007	Correction model based on formula \eq{} from Li and Duan (2007) (see Table 12 in 10.1016/j.chemgeo.2007.07.023).

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The documentation for this struct was generated from the following file:

• Reaktoro/Models/ActivityModels/ActivityModelPitzer.hpp