Reaktoro  v2.1.1
A unified framework for modeling chemically reactive systems
SpeciesElectroProps Struct Reference

The electrostatic properties of an aqueous solute species. More...

#include <SpeciesElectroProps.hpp>

Public Attributes

real reref = {}
 The effective electrostatic radius of the solute species at referente temperature 298.15 K and pressure 1 bar.
 
real re = {}
 The effective electrostatic radius of the solute species.
 
real w = {}
 The Born coefficient of the solute species.
 
real wT = {}
 The first-order partial derivative of the Born coefficient of the solute species with respect to temperature.
 
real wP = {}
 The first-order partial derivative of the Born coefficient of the solute species with respect to pressure.
 
real wTT = {}
 The second-order partial derivative of the Born coefficient of the solute species with respect to temperature.
 
real wTP = {}
 The second-order partial derivative of the Born coefficient of the solute species with respect to temperature and pressure.
 
real wPP = {}
 The second-order partial derivative of the Born coefficient of the solute species with respect to pressure.
 

Detailed Description

The electrostatic properties of an aqueous solute species.


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