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|---|---|---|---|
| 1 | // -*- mode: C++; tab-width: 4; indent-tabs-mode: nil; c-basic-offset: 4 -*- | ||
| 2 | // vi: set et ts=4 sw=4 sts=4: | ||
| 3 | // | ||
| 4 | // SPDX-FileCopyrightInfo: Copyright © DuMux Project contributors, see AUTHORS.md in root folder | ||
| 5 | // SPDX-License-Identifier: GPL-3.0-or-later | ||
| 6 | // | ||
| 7 | /*! | ||
| 8 | * \file | ||
| 9 | * \ingroup Chemistry | ||
| 10 | * \brief Electrochemical model for a fuel cell application. | ||
| 11 | */ | ||
| 12 | #ifndef DUMUX_ELECTROCHEMISTRY_NI_HH | ||
| 13 | #define DUMUX_ELECTROCHEMISTRY_NI_HH | ||
| 14 | |||
| 15 | #include <dumux/material/constants.hh> | ||
| 16 | #include <dumux/material/chemistry/electrochemistry/electrochemistry.hh> | ||
| 17 | |||
| 18 | namespace Dumux { | ||
| 19 | |||
| 20 | /*! | ||
| 21 | * \ingroup Chemistry | ||
| 22 | * \brief Class calculating source terms and current densities for fuel cells | ||
| 23 | * with the electrochemical models suggested by Ochs (2008) \cite ochs2008 or Acosta (2006) \cite A3:acosta:2006 | ||
| 24 | * for the non-isothermal case. | ||
| 25 | * \todo TODO: Scalar type should be extracted from VolumeVariables! | ||
| 26 | * \todo TODO: This shouldn't depend on discretization and grid!! | ||
| 27 | */ | ||
| 28 | template <class Scalar, class Indices, class FluidSystem, class GridGeometry, ElectroChemistryModel electroChemistryModel> | ||
| 29 | class ElectroChemistryNI : public ElectroChemistry<Scalar, Indices, FluidSystem, GridGeometry, electroChemistryModel> | ||
| 30 | { | ||
| 31 | using ParentType = ElectroChemistry<Scalar, Indices, FluidSystem, GridGeometry, electroChemistryModel>; | ||
| 32 | using Constant = Constants<Scalar>; | ||
| 33 | |||
| 34 | enum { | ||
| 35 | //equation indices | ||
| 36 | contiH2OEqIdx = Indices::conti0EqIdx + FluidSystem::H2OIdx, | ||
| 37 | contiO2EqIdx = Indices::conti0EqIdx + FluidSystem::O2Idx, | ||
| 38 | energyEqIdx = Indices::energyEqIdx, //energy equation | ||
| 39 | }; | ||
| 40 | |||
| 41 | using GridView = typename GridGeometry::GridView; | ||
| 42 | static constexpr bool isBox = GridGeometry::discMethod == DiscretizationMethods::box; | ||
| 43 | using GlobalPosition = typename Dune::FieldVector<typename GridView::ctype, GridView::dimensionworld>; | ||
| 44 | using CellVector = typename Dune::FieldVector<typename GridView::ctype, GridView::dimension>; | ||
| 45 | |||
| 46 | public: | ||
| 47 | /*! | ||
| 48 | * \brief Calculates reaction sources with an electrochemical model approach. | ||
| 49 | * | ||
| 50 | * \param values The primary variable vector | ||
| 51 | * \param currentDensity The current density | ||
| 52 | * \param paramGroup The group containing the needed parameters | ||
| 53 | * | ||
| 54 | * For this method, the \a values parameter stores source values | ||
| 55 | */ | ||
| 56 | template<class SourceValues> | ||
| 57 | 48384 | static void reactionSource(SourceValues &values, Scalar currentDensity, | |
| 58 | const std::string& paramGroup = "") | ||
| 59 | { | ||
| 60 | //correction to account for actually relevant reaction area | ||
| 61 | //current density has to be divided by the half length of the box | ||
| 62 | //\todo Do we have multiply with the electrochemically active surface area (ECSA) here instead? | ||
| 63 |
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48384 | static Scalar gridYMax = getParamFromGroup<GlobalPosition>(paramGroup, "Grid.UpperRight")[1]; |
| 64 |
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48384 | static Scalar nCellsY = getParamFromGroup<GlobalPosition>(paramGroup, "Grid.Cells")[1]; |
| 65 | |||
| 66 | // Warning: This assumes the reaction layer is always just one cell (cell-centered) or half a box (box) thick | ||
| 67 | 48384 | const auto lengthBox = gridYMax/nCellsY; | |
| 68 | if (isBox) | ||
| 69 | 48384 | currentDensity *= 2.0/lengthBox; | |
| 70 | else | ||
| 71 | currentDensity *= 1.0/lengthBox; | ||
| 72 | |||
| 73 |
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48384 | static Scalar transportNumberH2O = getParam<Scalar>("ElectroChemistry.TransportNumberH20"); |
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48384 | static Scalar thermoneutralVoltage = getParam<Scalar>("ElectroChemistry.ThermoneutralVoltage"); |
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48384 | static Scalar cellVoltage = getParam<Scalar>("ElectroChemistry.CellVoltage"); |
| 76 | |||
| 77 | //calculation of flux terms with faraday equation | ||
| 78 | 48384 | values[contiH2OEqIdx] = currentDensity/(2*Constant::F); //reaction term in reaction layer | |
| 79 | 48384 | values[contiH2OEqIdx] += currentDensity/Constant::F*transportNumberH2O; //osmotic term in membrane | |
| 80 | 48384 | values[contiO2EqIdx] = -currentDensity/(4*Constant::F); //O2-equation | |
| 81 | 48384 | values[energyEqIdx] = (thermoneutralVoltage - cellVoltage)*currentDensity; //energy equation | |
| 82 | 48384 | } | |
| 83 | }; | ||
| 84 | |||
| 85 | } // end namespace Dumux | ||
| 86 | |||
| 87 | #endif | ||
| 88 |