Reaktoro  v2.11.0
A unified framework for modeling chemically reactive systems
SpeciesElectroProps.hpp
1 // Reaktoro is a unified framework for modeling chemically reactive systems.
2 //
3 // Copyright © 2014-2024 Allan Leal
4 //
5 // This library is free software; you can redistribute it and/or
6 // modify it under the terms of the GNU Lesser General Public
7 // License as published by the Free Software Foundation; either
8 // version 2.1 of the License, or (at your option) any later version.
9 //
10 // This library is distributed in the hope that it will be useful,
11 // but WITHOUT ANY WARRANTY; without even the implied warranty of
12 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU
13 // Lesser General Public License for more details.
14 //
15 // You should have received a copy of the GNU Lesser General Public License
16 // along with this library. If not, see <http://www.gnu.org/licenses/>.
17 
18 #pragma once
19 
20 // Reaktoro includes
21 #include <Reaktoro/Common/Real.hpp>
22 
23 namespace Reaktoro {
24 
27 {
29  real reref = {};
30 
32  real re = {};
33 
35  real w = {};
36 
38  real wT = {};
39 
41  real wP = {};
42 
44  real wTT = {};
45 
47  real wTP = {};
48 
50  real wPP = {};
51 };
52 
53 } // namespace Reaktoro
The namespace containing all components of the Reaktoro library.
Definition: Algorithms.hpp:29
autodiff::real real
The number type used throughout the library.
Definition: Real.hpp:26
The electrostatic properties of an aqueous solute species.
Definition: SpeciesElectroProps.hpp:27
real wTT
The second-order partial derivative of the Born coefficient of the solute species with respect to tem...
Definition: SpeciesElectroProps.hpp:44
real wTP
The second-order partial derivative of the Born coefficient of the solute species with respect to tem...
Definition: SpeciesElectroProps.hpp:47
real wT
The first-order partial derivative of the Born coefficient of the solute species with respect to temp...
Definition: SpeciesElectroProps.hpp:38
real reref
The effective electrostatic radius of the solute species at referente temperature 298....
Definition: SpeciesElectroProps.hpp:29
real w
The Born coefficient of the solute species.
Definition: SpeciesElectroProps.hpp:35
real wPP
The second-order partial derivative of the Born coefficient of the solute species with respect to pre...
Definition: SpeciesElectroProps.hpp:50
real re
The effective electrostatic radius of the solute species.
Definition: SpeciesElectroProps.hpp:32
real wP
The first-order partial derivative of the Born coefficient of the solute species with respect to pres...
Definition: SpeciesElectroProps.hpp:41