From 99e75ad410e406a6ad873a06c1a85e7af92753bf Mon Sep 17 00:00:00 2001
From: Dmitri Naumov <github@naumov.de>
Date: Fri, 15 Sep 2023 22:37:11 +0200
Subject: [PATCH] [TES] Use constexpr for static const values
Moving some of the variables into translation unit where
they are used. The variables are renamed as they are no
longer member variables.
Define public ones directly in the header.
---
MaterialLib/Adsorption/ReactionCaOH2.cpp | 42 ++++++++++++------------
MaterialLib/Adsorption/ReactionCaOH2.h | 16 +++------
2 files changed, 25 insertions(+), 33 deletions(-)
diff --git a/MaterialLib/Adsorption/ReactionCaOH2.cpp b/MaterialLib/Adsorption/ReactionCaOH2.cpp
index ba7b2ec855d..fb69fb5b380 100644
--- a/MaterialLib/Adsorption/ReactionCaOH2.cpp
+++ b/MaterialLib/Adsorption/ReactionCaOH2.cpp
@@ -17,25 +17,25 @@
namespace Adsorption
{
-const double ReactionCaOH2::_reaction_enthalpy = -1.12e+05;
-const double ReactionCaOH2::_reaction_entropy = -143.5;
-const double ReactionCaOH2::_M_carrier =
- MaterialLib::PhysicalConstant::MolarMass::N2;
-const double ReactionCaOH2::_M_react =
- MaterialLib::PhysicalConstant::MolarMass::Water;
-const double ReactionCaOH2::_tol_l = 1e-4;
-const double ReactionCaOH2::_tol_u = 1.0 - 1e-4;
-const double ReactionCaOH2::_tol_rho = 0.1;
+//! reaction enthalpy in J/mol; negative for exothermic composition reaction
+constexpr double reaction_enthalpy = -1.12e+05;
+//! reaction entropy in J/mol/K
+constexpr double reaction_entropy = -143.5;
+//! inert component molar mass
+constexpr double M_carrier = MaterialLib::PhysicalConstant::MolarMass::N2;
+//! reactive component molar mass
+constexpr double M_react = MaterialLib::PhysicalConstant::MolarMass::Water;
-const double ReactionCaOH2::rho_low = 1656.0;
-const double ReactionCaOH2::rho_up = 2200.0;
+constexpr double tol_l = 1e-4;
+constexpr double tol_u = 1.0 - 1e-4;
+constexpr double tol_rho = 0.1;
double ReactionCaOH2::getEnthalpy(const double /*p_Ads*/,
const double /*T_Ads*/,
const double /*M_Ads*/) const
{
- return -_reaction_enthalpy / _M_react;
+ return -reaction_enthalpy / M_react;
}
double ReactionCaOH2::getReactionRate(const double /*p_Ads*/,
@@ -68,7 +68,7 @@ void ReactionCaOH2::calculateQR()
{
// Convert mass fraction into mole fraction
const double mol_frac_react =
- AdsorptionReaction::getMolarFraction(_x_react, _M_react, _M_carrier);
+ AdsorptionReaction::getMolarFraction(_x_react, M_react, M_carrier);
_p_r_g = std::max(mol_frac_react * _p_gas, 1.0e-3); // avoid illdefined log
setChemicalEquilibrium();
@@ -81,19 +81,19 @@ void ReactionCaOH2::setChemicalEquilibrium()
{
const double R = MaterialLib::PhysicalConstant::IdealGasConstant;
- _X_D = (_rho_s - rho_up - _tol_rho) / (rho_low - rho_up - 2.0 * _tol_rho);
+ _X_D = (_rho_s - rho_up - tol_rho) / (rho_low - rho_up - 2.0 * tol_rho);
_X_D = (_X_D < 0.5)
- ? std::max(_tol_l, _X_D)
- : std::min(_X_D, _tol_u); // constrain to interval [tol_l;tol_u]
+ ? std::max(tol_l, _X_D)
+ : std::min(_X_D, tol_u); // constrain to interval [tol_l;tol_u]
_X_H = 1.0 - _X_D;
// calculate equilibrium
// using the p_eq to calculate the T_eq - Clausius-Clapeyron
- _T_eq = (_reaction_enthalpy / R) /
- ((_reaction_entropy / R) + std::log(_p_r_g)); // unit of p in bar
+ _T_eq = (reaction_enthalpy / R) /
+ ((reaction_entropy / R) + std::log(_p_r_g)); // unit of p in bar
// Alternative: Use T_s as T_eq and calculate p_eq - for Schaube kinetics
- _p_eq = std::exp((_reaction_enthalpy / R) / _T_s - (_reaction_entropy / R));
+ _p_eq = std::exp((reaction_enthalpy / R) / _T_s - (reaction_entropy / R));
}
double ReactionCaOH2::CaHydration()
@@ -114,7 +114,7 @@ double ReactionCaOH2::CaHydration()
dXdt = -1.0 * (1.0 - X_H) * (T_s - T_eq) / T_eq * 0.2 *
conversion_rate::x_react;
#else // this is from Schaube
- if (_X_H == _tol_u || _rho_s == rho_up)
+ if (_X_H == tol_u || _rho_s == rho_up)
{
dXdt = 0.0;
}
@@ -139,7 +139,7 @@ double ReactionCaOH2::CaHydration()
#ifdef SIMPLE_KINETICS // this is from P. Schmidt
dXdt = -1.0 * (1.0 - X_D) * (T_s - T_eq) / T_eq * 0.05;
#else
- if (_X_D == _tol_u || _rho_s == rho_low)
+ if (_X_D == tol_u || _rho_s == rho_low)
{
dXdt = 0.0;
}
diff --git a/MaterialLib/Adsorption/ReactionCaOH2.h b/MaterialLib/Adsorption/ReactionCaOH2.h
index dede8349e9a..f868522dfb5 100644
--- a/MaterialLib/Adsorption/ReactionCaOH2.h
+++ b/MaterialLib/Adsorption/ReactionCaOH2.h
@@ -65,24 +65,16 @@ private:
nan; //!< mass fraction of dehydration (CaO) in the solid phase
double _X_H = nan; //!< mass fraction of hydration in the solid phase
- //! reaction enthalpy in J/mol; negative for exothermic composition reaction
- static const double _reaction_enthalpy;
- static const double _reaction_entropy; //!< reaction entropy in J/mol/K
- static const double _M_carrier; //!< inert component molar mass
- static const double _M_react; //!< reactive component molar mass
-
- static const double _tol_l;
- static const double _tol_u;
- static const double _tol_rho;
-
const BaseLib::ConfigTree _ode_solver_config;
template<typename>
friend class ProcessLib::TESFEMReactionAdaptorCaOH2;
public:
- static MATERIALLIB_EXPORT const double rho_low; //! lower density limit
- static MATERIALLIB_EXPORT const double rho_up; //! upper density limit
+ static MATERIALLIB_EXPORT constexpr double rho_low =
+ 1656.0; //!< lower density limit
+ static MATERIALLIB_EXPORT constexpr double rho_up =
+ 2200.0; //!< upper density limit
};
} // namespace Adsorption
--
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