ArrheniusKinetics.hpp

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// Copyright (c) 2020 Maikel Nadolski
// Copyright (c) 2020 Christian Zenker
//
// Permission is hereby granted, free of charge, to any person obtaining a copy
// of this software and associated documentation files (the "Software"), to deal
// in the Software without restriction, including without limitation the rights
// to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
// copies of the Software, and to permit persons to whom the Software is
// furnished to do so, subject to the following conditions:
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// SOFTWARE.
 
#ifndef FUB_PERFECT_GAS_MIX_ARRHENIUS_KINETICS_HPP
#define FUB_PERFECT_GAS_MIX_ARRHENIUS_KINETICS_HPP
 
#include "fub/AMReX/IntegratorContext.hpp"
#include "fub/TimeStepError.hpp"
#include "fub/equations/PerfectGasMix.hpp"
#include "fub/ext/omp.hpp"
#include "fub/ext/outcome.hpp"
 
#include <cmath>
#include <memory>
 
namespace fub::perfect_gas_mix {
 
struct ArrheniusKineticsOptions {
  /* dimensionless thermochemical parameters */
  /* think of T1 as compressor exit temperature */
  // default values taken from SEC_C/SEC_C/Input/userdata_Combustion.c
 
  // Test
  double Q{3.0 / 0.4};   // heat of reaction
  double EA{10.0};       // activation energy
  double B{0.05 / 1.25}; // coefficient of reaction
  /* Reference: 0.11/1.25; 0.05/1.25 */
  double T_switch{1.05}; // switch temperature
};
 
/// \ingroup LevelIntegrator
template <int R> class ArrheniusKinetics {
public:
  static constexpr int Rank = R;
  static constexpr std::size_t sRank = static_cast<std::size_t>(Rank);
 
  ArrheniusKinetics(const PerfectGasMix<Rank>& eq);
 
  Duration ComputeStableDt(int level);
 
  Result<void, TimeStepTooLarge>
  AdvanceLevel(amrex::IntegratorContext& simulation_data, int level,
               Duration dt,
               const ::amrex::IntVect& ngrow = ::amrex::IntVect(0));
 
  ArrheniusKineticsOptions options;
 
private:
  OmpLocal<PerfectGasMix<Rank>> equation_;
  OmpLocal<CompleteArray<PerfectGasMix<Rank>>> state_;
  OmpLocal<KineticStateArray<PerfectGasMix<Rank>>> kinetic_state_;
};
 
extern template class ArrheniusKinetics<1>;
extern template class ArrheniusKinetics<2>;
extern template class ArrheniusKinetics<3>;
 
} // namespace fub::perfect_gas_mix
 
#endif