223 lines
9.0 KiB
C++
223 lines
9.0 KiB
C++
// -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*-
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// vi: set et ts=4 sw=4 sts=4:
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/*
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Copyright 2022 SINTEF Digital, Mathematics and Cybernetics.
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This file is part of the Open Porous Media project (OPM).
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OPM is free software: you can redistribute it and/or modify
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it under the terms of the GNU General Public License as published by
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the Free Software Foundation, either version 2 of the License, or
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(at your option) any later version.
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OPM is distributed in the hope that it will be useful,
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but WITHOUT ANY WARRANTY; without even the implied warranty of
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MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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GNU General Public License for more details.
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You should have received a copy of the GNU General Public License
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along with OPM. If not, see <http://www.gnu.org/licenses/>.
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Consult the COPYING file in the top-level source directory of this
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module for the precise wording of the license and the list of
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copyright holders.
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*/
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/*!
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* \file
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*
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* \brief This is test for the PTFlash flash solver.
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*/
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#include "config.h"
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#define BOOST_TEST_MODULE PtFlash
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#include <boost/test/unit_test.hpp>
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#include <boost/version.hpp>
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#if BOOST_VERSION / 100000 == 1 && BOOST_VERSION / 100 % 1000 > 66
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#include <boost/test/data/test_case.hpp>
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#endif
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#include <opm/material/constraintsolvers/PTFlash.hpp>
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#include <opm/material/fluidsystems/ThreeComponentFluidSystem.hh>
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#include <opm/material/densead/Evaluation.hpp>
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#include <opm/material/constraintsolvers/ComputeFromReferencePhase.hpp>
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#include <opm/material/fluidstates/CompositionalFluidState.hpp>
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#include <opm/material/fluidmatrixinteractions/LinearMaterial.hpp>
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// It is a three component system
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using Scalar = double;
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using FluidSystem = Opm::ThreeComponentFluidSystem<Scalar>;
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constexpr auto numComponents = FluidSystem::numComponents;
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using Evaluation = Opm::DenseAd::Evaluation<double, numComponents>;
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using ComponentVector = Dune::FieldVector<Evaluation, numComponents>;
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using FluidState = Opm::CompositionalFluidState<Evaluation, FluidSystem>;
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std::vector<std::string> test_methods {"newton", "ssi", "ssi+newton"};
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#if BOOST_VERSION / 100000 == 1 && BOOST_VERSION / 100 % 1000 > 66
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BOOST_DATA_TEST_CASE(PtFlash, test_methods)
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#else
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BOOST_AUTO_TEST_CASE(PtFlash)
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#endif
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{
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#if BOOST_VERSION / 100000 == 1 && BOOST_VERSION / 100 % 1000 < 67
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for (const auto& sample : test_methods) {
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#endif
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// Initial: the primary variables are, pressure, molar fractions of the first and second component
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Evaluation p_init = Evaluation::createVariable(10e5, 0); // 10 bar
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ComponentVector comp;
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comp[0] = Evaluation::createVariable(0.5, 1);
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comp[1] = Evaluation::createVariable(0.3, 2);
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comp[2] = 1. - comp[0] - comp[1];
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// TODO: not sure whether the saturation matter here.
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ComponentVector sat;
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// We assume that currently everything is in the oil phase
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sat[0] = 1.0; sat[1] = 1.0-sat[0];
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Scalar temp = 300.0;
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// FluidState will be the input for the flash calculation
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FluidState fluid_state;
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fluid_state.setPressure(FluidSystem::oilPhaseIdx, p_init);
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fluid_state.setPressure(FluidSystem::gasPhaseIdx, p_init);
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fluid_state.setMoleFraction(FluidSystem::oilPhaseIdx, FluidSystem::Comp0Idx, comp[0]);
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fluid_state.setMoleFraction(FluidSystem::oilPhaseIdx, FluidSystem::Comp1Idx, comp[1]);
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fluid_state.setMoleFraction(FluidSystem::oilPhaseIdx, FluidSystem::Comp2Idx, comp[2]);
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fluid_state.setMoleFraction(FluidSystem::gasPhaseIdx, FluidSystem::Comp0Idx, comp[0]);
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fluid_state.setMoleFraction(FluidSystem::gasPhaseIdx, FluidSystem::Comp1Idx, comp[1]);
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fluid_state.setMoleFraction(FluidSystem::gasPhaseIdx, FluidSystem::Comp2Idx, comp[2]);
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// It is used here only for calculate the z
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fluid_state.setSaturation(FluidSystem::oilPhaseIdx, sat[0]);
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fluid_state.setSaturation(FluidSystem::gasPhaseIdx, sat[1]);
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fluid_state.setTemperature(temp);
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// ParameterCache paramCache;
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{
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typename FluidSystem::template ParameterCache<Evaluation> paramCache;
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paramCache.updatePhase(fluid_state, FluidSystem::oilPhaseIdx);
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paramCache.updatePhase(fluid_state, FluidSystem::gasPhaseIdx);
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fluid_state.setDensity(FluidSystem::oilPhaseIdx, FluidSystem::density(fluid_state, paramCache, FluidSystem::oilPhaseIdx));
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fluid_state.setDensity(FluidSystem::gasPhaseIdx, FluidSystem::density(fluid_state, paramCache, FluidSystem::gasPhaseIdx));
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}
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ComponentVector z(0.); // TODO; z needs to be normalized.
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{
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Scalar sumMoles = 0.0;
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for (unsigned phaseIdx = 0; phaseIdx < FluidSystem::numPhases; ++phaseIdx) {
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for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
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Scalar tmp = Opm::getValue(fluid_state.molarity(phaseIdx, compIdx) * fluid_state.saturation(phaseIdx));
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z[compIdx] += Opm::max(tmp, 1e-8);
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sumMoles += tmp;
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}
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}
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z /= sumMoles;
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// p And z is the primary variables
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Evaluation z_last = 1.;
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for (unsigned compIdx = 0; compIdx < numComponents - 1; ++compIdx) {
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z[compIdx] = Evaluation::createVariable(Opm::getValue(z[compIdx]), int(compIdx) + 1);
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z_last -= z[compIdx];
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}
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z[numComponents - 1] = z_last;
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}
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const double flash_tolerance = 1.e-12; // just to test the setup in co2-compositional
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const int flash_verbosity = 0;
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// TODO: should we set these?
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// Set initial K and L
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for (unsigned compIdx = 0; compIdx < numComponents; ++compIdx) {
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const Evaluation Ktmp = fluid_state.wilsonK_(compIdx);
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fluid_state.setKvalue(compIdx, Ktmp);
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}
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const Evaluation Ltmp = 1.;
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fluid_state.setLvalue(Ltmp);
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using Flash = Opm::PTFlash<double, FluidSystem>;
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Flash::solve(fluid_state, z, sample, flash_tolerance, flash_verbosity);
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ComponentVector x, y;
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const Evaluation L = fluid_state.L();
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for (unsigned comp_idx = 0; comp_idx < numComponents; ++comp_idx) {
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x[comp_idx] = fluid_state.moleFraction(FluidSystem::oilPhaseIdx, comp_idx);
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y[comp_idx] = fluid_state.moleFraction(FluidSystem::gasPhaseIdx, comp_idx);
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}
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if (flash_verbosity >= 1) {
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for (unsigned comp_idx = 0; comp_idx < numComponents; ++comp_idx) {
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std::cout << " x for component: " << comp_idx << "is " << x[comp_idx] << std::endl;
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for (int i = 0; i < 3; ++i) {
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std::cout << " x deriv " << i << " is: " << x[comp_idx].derivative(i) << std::endl;
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}
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std::cout << " y for component: " << comp_idx << "is " << y[comp_idx] << std::endl;
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for (int i = 0; i < 3; ++i) {
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std::cout << " y deriv " << i << " is: " << y[comp_idx].derivative(i) << std::endl;
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}
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}
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std::cout << " L is " << L << std::endl;
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for (int i = 0; i < L.size(); ++i) {
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std::cout << " L deriv " << i << " is: " << L.derivative(i) << std::endl;
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}
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}
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Evaluation ref_L = 1 - 0.763309246;
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ref_L.setDerivative(0, 4.072857907696467e-8);
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ref_L.setDerivative(1, -1.1606117844565438);
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ref_L.setDerivative(2, -1.2182584016253868);
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ComponentVector ref_x;
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ref_x[0].setValue(0.134348016);
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ref_x[0].setDerivative(0, 1.225204984e-7);
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ref_x[0].setDerivative(1, 0.1193427625186);
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ref_x[0].setDerivative(2, -0.15685356397);
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ref_x[1].setValue(0.021791990);
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ref_x[1].setDerivative(0, 2.1923329015033e-8);
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ref_x[1].setDerivative(1, -0.030587169734517);
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ref_x[1].setDerivative(2, 0.0402010686143);
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ref_x[2].setValue(0.84385999349);
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ref_x[2].setDerivative(0, -1.44443827440285e-7);
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ref_x[2].setDerivative(1, -0.088755592784150);
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ref_x[2].setDerivative(2, 0.11665249535641);
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ComponentVector ref_y;
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ref_y[0].setValue(0.61338319);
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ref_y[0].setDerivative(0, -1.2431457946797125e-8);
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ref_y[0].setDerivative(1, 0.5447055650444589);
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ref_y[0].setDerivative(2, -0.7159127825498286);
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ref_y[1].setValue(0.38626813278337335);
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ref_y[1].setDerivative(0, 1.2649586224979342e-8);
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ref_y[1].setDerivative(1, -0.5447013877995585);
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ref_y[1].setDerivative(2, 0.7159072923488614);
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ref_y[2].setValue(0.00034866911404565206);
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ref_y[2].setDerivative(0,-2.1812827818225162e-10);
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ref_y[2].setDerivative(1, -4.177244900520176e-6);
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ref_y[2].setDerivative(2, 5.490200967341757e-6);
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for (unsigned comp_idx = 0; comp_idx < numComponents; ++comp_idx) {
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BOOST_CHECK_MESSAGE(Opm::MathToolbox<Evaluation>::isSame(x[comp_idx],
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ref_x[comp_idx], 2e-3),
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"component " << comp_idx << " of x does not match");
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BOOST_CHECK_MESSAGE(Opm::MathToolbox<Evaluation>::isSame(y[comp_idx],
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ref_y[comp_idx], 2e-3),
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"component " << comp_idx << " of y does not match");
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}
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BOOST_CHECK_MESSAGE(Opm::MathToolbox<Evaluation>::isSame(L, ref_L, 2e-3),
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"L does not match");
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#if BOOST_VERSION / 100000 == 1 && BOOST_VERSION / 100 % 1000 < 67
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}
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#endif
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}
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