ElectronCollisionPlasmaRate.cpp

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//! @file ElectronCollisionPlasmaRate.cpp
 
// This file is part of Cantera. See License.txt in the top-level directory or
// at https://cantera.org/license.txt for license and copyright information.
 
#include "cantera/kinetics/ElectronCollisionPlasmaRate.h"
#include "cantera/kinetics/Reaction.h"
#include "cantera/kinetics/Kinetics.h"
#include "cantera/numerics/funcs.h"
 
namespace Cantera
{
 
ElectronCollisionPlasmaData::ElectronCollisionPlasmaData()
{
    energyLevels.assign(1, 0.0);
    distribution.assign(1, 0.0);
}
 
bool ElectronCollisionPlasmaData::update(const ThermoPhase& phase, const Kinetics& kin)
{
    const PlasmaPhase& pp = dynamic_cast<const PlasmaPhase&>(phase);
 
    // The distribution number dictates whether the rate should be updated.
    // Three scenarios involving changes of the distribution number:
    // 1. Change of the electron energy levels
    // 2. Change of the electron energy distribution
    // 3. Combined changes of one and two
    if (pp.distributionNumber() == m_dist_number) {
        return false;
    }
 
    // Update distribution
    m_dist_number = pp.distributionNumber();
    distribution.resize(pp.nElectronEnergyLevels());
    pp.getElectronEnergyDistribution(distribution.data());
 
    // Update energy levels
    levelChanged = pp.levelNumber() != m_level_number;
    if (levelChanged) {
        m_level_number = pp.levelNumber();
        energyLevels.resize(pp.nElectronEnergyLevels());
        pp.getElectronEnergyLevels(energyLevels.data());
    }
 
    return true;
}
 
void ElectronCollisionPlasmaRate::setParameters(const AnyMap& node, const UnitStack& rate_units)
{
    ReactionRate::setParameters(node, rate_units);
    if (!node.hasKey("energy-levels") && !node.hasKey("cross-sections")) {
        return;
    }
    if (node.hasKey("energy-levels")) {
        m_energyLevels = node["energy-levels"].asVector<double>();
    }
    if (node.hasKey("cross-sections")) {
        m_crossSections = node["cross-sections"].asVector<double>();
    }
    if (m_energyLevels.size() != m_crossSections.size()) {
        throw CanteraError("ElectronCollisionPlasmaRate::setParameters",
            "Energy levels and cross section must have the same length.");
    }
}
 
void ElectronCollisionPlasmaRate::getParameters(AnyMap& node) const {
    node["type"] = type();
    node["energy-levels"] = m_energyLevels;
    node["cross-sections"] = m_crossSections;
}
 
double ElectronCollisionPlasmaRate::evalFromStruct(
    const ElectronCollisionPlasmaData& shared_data)
{
    // Interpolate cross-sections data to the energy levels of
    // the electron energy distribution function
    if (shared_data.levelChanged) {
        m_crossSectionsInterpolated.resize(0);
        for (double level : shared_data.energyLevels) {
            m_crossSectionsInterpolated.push_back(linearInterp(level,
                                                  m_energyLevels, m_crossSections));
        }
    }
 
    // Map cross sections to Eigen::ArrayXd
    auto cs_array = Eigen::Map<const Eigen::ArrayXd>(
        m_crossSectionsInterpolated.data(), m_crossSectionsInterpolated.size()
    );
 
    // Map energyLevels in Eigen::ArrayXd
    auto eps = Eigen::Map<const Eigen::ArrayXd>(
        shared_data.energyLevels.data(), shared_data.energyLevels.size()
    );
 
    // Map energyLevels in Eigen::ArrayXd
    auto distribution = Eigen::Map<const Eigen::ArrayXd>(
        shared_data.distribution.data(), shared_data.distribution.size()
    );
 
    // unit in kmol/m3/s
    return 0.5 * pow(2.0 * ElectronCharge / ElectronMass, 0.5) * Avogadro *
           simpson(distribution.cwiseProduct(cs_array), eps.pow(2.0));
}
 
void ElectronCollisionPlasmaRate::setContext(const Reaction& rxn, const Kinetics& kin)
{
    // ElectronCollisionPlasmaReaction is for a non-equilibrium plasma, and the reverse rate
    // cannot be calculated from the conventional thermochemistry.
    // @todo implement the reversible rate for non-equilibrium plasma
    if (rxn.reversible) {
        throw InputFileError("ElectronCollisionPlasmaRate::setContext", rxn.input,
            "ElectronCollisionPlasmaRate does not support reversible reactions");
    }
 
    // get electron species name
    string electronName;
    if (kin.thermo().type() == "plasma") {
        electronName = dynamic_cast<const PlasmaPhase&>(kin.thermo()).electronSpeciesName();
    } else {
        throw CanteraError("ElectronCollisionPlasmaRate::setContext",
                           "ElectronCollisionPlasmaRate requires plasma phase");
    }
 
    // Number of reactants needs to be two
    if (rxn.reactants.size() != 2) {
        throw InputFileError("ElectronCollisionPlasmaRate::setContext", rxn.input,
            "ElectronCollisionPlasmaRate requires exactly two reactants");
    }
 
    // Must have only one electron
    // @todo add electron-electron collision rate
    if (rxn.reactants.at(electronName) != 1) {
        throw InputFileError("ElectronCollisionPlasmaRate::setContext", rxn.input,
            "ElectronCollisionPlasmaRate requires one and only one electron");
    }
}
 
}