84 lines
3.2 KiB
C++
84 lines
3.2 KiB
C++
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#include "gridfire/engine/procedures/priming.h"
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#include "gridfire/engine/views/engine_priming.h"
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#include "gridfire/solver/solver.h"
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#include "gridfire/engine/engine_abstract.h"
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#include "gridfire/network.h"
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namespace gridfire {
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fourdst::composition::Composition primeNetwork(const NetIn& netIn, DynamicEngine& engine) {
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using fourdst::composition::Composition;
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using fourdst::atomic::Species;
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NetIn currentConditions = netIn;
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std::vector<Species> speciesToPrime;
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for (const auto &entry: netIn.composition | std::views::values) {
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if (entry.mass_fraction() == 0.0) {
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speciesToPrime.push_back(entry.isotope());
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}
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}
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if (speciesToPrime.empty()) {
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return netIn.composition; // No priming needed
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}
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const double T9 = netIn.temperature / 1e9; // Convert temperature to T9
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const double rho = netIn.density; // Density in g/cm^3
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for (const auto& primingSpecies :speciesToPrime) {
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NetworkPrimingEngineView primer(primingSpecies, engine);
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const auto Y = primer.mapNetInToMolarAbundanceVector(currentConditions);
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const double destructionRateConstant = calculateDestructionRateConstant(primer, primingSpecies, Y, T9, rho);
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const double creationRate = calculateCreationRate(primer, primingSpecies, Y, T9, rho);
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const double equilibriumMolarAbundance = creationRate / destructionRateConstant;
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const double equilibriumMassFraction = equilibriumMolarAbundance * primingSpecies.mass();
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currentConditions.composition.setMassFraction(
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std::string(primingSpecies.name()),
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equilibriumMassFraction
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);
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}
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return currentConditions.composition;
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}
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double calculateDestructionRateConstant(
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const DynamicEngine& engine,
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const fourdst::atomic::Species& species,
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const std::vector<double>& Y,
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const double T9,
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const double rho
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) {
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const int speciesIndex = engine.getSpeciesIndex(species);
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std::vector<double> Y_scaled(Y.begin(), Y.end());
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Y_scaled[speciesIndex] = 1.0; // Set the abundance of the species to 1.0 for rate constant calculation
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double destructionRateConstant = 0.0;
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for (const auto& reaction: engine.getNetworkReactions()) {
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if (reaction.contains_reactant(species)) {
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const int stoichiometry = reaction.stoichiometry(species);
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destructionRateConstant += std::abs(stoichiometry) * engine.calculateMolarReactionFlow(reaction, Y_scaled, T9, rho);
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}
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}
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return destructionRateConstant;
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}
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double calculateCreationRate(
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const DynamicEngine& engine,
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const fourdst::atomic::Species& species,
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const std::vector<double>& Y,
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const double T9,
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const double rho
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) {
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double creationRate = 0.0;
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for (const auto& reaction: engine.getNetworkReactions()) {
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const int stoichiometry = reaction.stoichiometry(species);
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if (stoichiometry > 0) {
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creationRate += stoichiometry * engine.calculateMolarReactionFlow(reaction, Y, T9, rho);
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}
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}
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return creationRate;
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}
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}
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