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Commit cbf35490 authored by Roman Winter's avatar Roman Winter
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remove equations of state, change chemistry

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...@@ -19,9 +19,14 @@ title: Material system ...@@ -19,9 +19,14 @@ title: Material system
* Solid system * Solid system
* Binary coefficients * Binary coefficients
* Fluid-matrix interactions * Fluid-matrix interactions
## <ins> Chemical properties and equation of states: </ins>
* Chemistry * Chemistry
* Equation of state (Eos) * Equation of state (Eos)
**Note:** _These contains some specific example implementations. One can implement specific things according to their need here._
## <ins> Dumux-specific containers and solvers </ins> ## <ins> Dumux-specific containers and solvers </ins>
- Fluid states - Fluid states
...@@ -54,8 +59,7 @@ title: Material system ...@@ -54,8 +59,7 @@ title: Material system
## <ins> What it does: </ins> ## <ins> What it does: </ins>
* Expresses the **thermodynamic relations between fluid quantities** (e.g. calculation of density or viscosity based on composition, fugacity coefficient based on temperature and pressure...) Expresses the **thermodynamic relations between fluid quantities** (e.g. calculation of density or viscosity based on composition, fugacity coefficient based on temperature and pressure...)
* Stateless classes (all member functions are static)
## <ins> Example implementations: </ins> ## <ins> Example implementations: </ins>
...@@ -71,13 +75,11 @@ title: Material system ...@@ -71,13 +75,11 @@ title: Material system
## <ins> What it does: </ins> ## <ins> What it does: </ins>
**Contains** data required for binary mixtures (e.g. binary diffusion coefficients, coefficients needed for constitutive relationships (like Henry coefficient)) **Contains** data and equations required for binary mixtures (e.g. binary diffusion coefficients, coefficients needed for constitutive relationships (like Henry coefficient))
## <ins> Example implementations: </ins> ## <ins> Example implementations: </ins>
* _H2O_Air_ * _H2O_Air_ : Henry coefficient, gas diffusion coefficient, liquid diffusion coefficent for water and air
* _Brine_CO2_
# Material system: Solid system # Material system: Solid system
...@@ -87,8 +89,12 @@ title: Material system ...@@ -87,8 +89,12 @@ title: Material system
## <ins> What it does: </ins> ## <ins> What it does: </ins>
* Expresses the **thermodynamic properties of the solid matrix** (e.g. calculation of the solid density and solid heat capacity based on the composition...) Expresses the **thermodynamic properties of the solid matrix** (e.g. calculation of the solid density and solid heat capacity based on the composition...)
* Stateless classes (all member functions are static)
<ins> Note to solid system </ins>
_Specifying a solid system is only necessary if you work with a non-isothermal or mineralization model. If no solid system is specified in the problem file, the default is the inert solid phase with the constant component. For the constant component you can set properties in the input file._
## <ins> Implementations: </ins> ## <ins> Implementations: </ins>
...@@ -103,14 +109,13 @@ title: Material system ...@@ -103,14 +109,13 @@ title: Material system
## <ins> What it does: </ins> ## <ins> What it does: </ins>
* Description of the **interaction of the fluid phases with the porous medium** (e.g. capillary pressure and relative permeability relationships) * Description of the **interaction of the fluid phases with the porous medium** (e.g. capillary pressure-saturation and relative permeability relationships)
* Through modular adapters, regularization schemes can be imposed for extreme values * Through modular adapters, regularization schemes can be imposed for extreme values
## <ins> Example implementations: </ins> ## <ins> Example implementations: </ins>
* _VanGenuchten_ * _VanGenuchten_ :
* _BrooksCorey_ :
* _BrooksCorey_
# Material system: Chemistry # Material system: Chemistry
...@@ -120,32 +125,13 @@ title: Material system ...@@ -120,32 +125,13 @@ title: Material system
## <ins> What it does: </ins> ## <ins> What it does: </ins>
* Expresses the **electrochemical models for a fuel cell application** (e.g. calculattion of reaction sources with an electrochemical model approach) Reactions between different components. There are extra models, usually they are realized with the introduction of a **source term**.
* Stateless classes (all member functions are static)
## <ins> Example implementations: </ins> ## <ins> Example implementations: </ins>
Expresses the **electrochemical models for a fuel cell application**
* _Electrochemistry_ : for isothermal system * _Electrochemistry_ : for isothermal system
* _Electrochemistryni_ : for non-isothermal system * _Electrochemistryni_ : for non-isothermal system
# Material system: Equation of state
## Equation of state
<img src="img/eos.png" width="250"/>
## <ins> What it does: </ins>
* Implements the **equation of state** for liquids and gases, and also for mixture (e.g. compute vapor pressure, molar volume, etc.)
* Stateless classes (all member functions are static)
## <ins> Example implementations: </ins>
* _Pengrobinson_ : eos for liquid and gas
* _Pengrobinsonmixture_ : eos for a mixture
# Material system: Fluid state # Material system: Fluid state
## Fluid state ## Fluid state
...@@ -159,8 +145,8 @@ title: Material system ...@@ -159,8 +145,8 @@ title: Material system
## <ins> Example implementations: </ins> ## <ins> Example implementations: </ins>
* _ImmiscibleFluidState_: assumes immiscibility of the fluid phases. Phase compositions and fugacity coefficients do not need to be stored explicitly * _ImmiscibleFluidState_ : assumes immiscibility of the fluid phases. Phase compositions and fugacity coefficients do not need to be stored explicitly
* _CompositionalFluidState_: assumes thermodynamic equilibrium, only a single temperature needs to be stored * _CompositionalFluidState_ : assumes thermodynamic equilibrium, only a single temperature needs to be stored
# Material system: Solid state # Material system: Solid state
...@@ -175,9 +161,9 @@ title: Material system ...@@ -175,9 +161,9 @@ title: Material system
## <ins> Example implementations: </ins> ## <ins> Example implementations: </ins>
* _InertSolidState_: assumes an inert solid phase. Solid volume fractions do not change * _InertSolidState_ : assumes an inert solid phase. Solid volume fractions do not change
* _CompositionalSolidState_: assumes a solid matrix composed out of two components. The volume fractions can change and properties such as heat capacity are adapted * _CompositionalSolidState_ : assumes a solid matrix composed out of two components. The volume fractions can change and properties such as heat capacity are adapted
# Material system: Constraint Solver # Material system: Constraint Solver
...@@ -191,11 +177,11 @@ title: Material system ...@@ -191,11 +177,11 @@ title: Material system
## <ins> Example implementation: </ins> ## <ins> Example implementation: </ins>
CompositionFromFugacities: takes all component fugacities, the temperature and pressure of a phase as input and calculates the phase composition _CompositionFromFugacities_ : takes all component fugacities, the temperature and pressure of a phase as input and calculates the phase composition
# Example: From component to fluid system # Example: From component to fluid system
## Component ---> fluid system ## Component **--->** fluid system
<img src="img/component-fluidsystem.png" width="500"/> <img src="img/component-fluidsystem.png" width="500"/>
...@@ -253,9 +239,6 @@ struct SolidSystem<TypeTag, TTag::ThermoChem> ...@@ -253,9 +239,6 @@ struct SolidSystem<TypeTag, TTag::ThermoChem>
using type = SolidSystems::CompositionalSolidPhase<Scalar, ComponentOne, ComponentTwo>; using type = SolidSystems::CompositionalSolidPhase<Scalar, ComponentOne, ComponentTwo>;
}; };
``` ```
## Note to solid system
Specifying a solid system is only necessary if you work with a non-isothermal or mineralization model. If no solid system is specified in the problem file, the default is the inert solid phase with the constant component. For the constant component you can set properties in the input file.
# Exercise # Exercise
...@@ -269,3 +252,4 @@ Specifying a solid system is only necessary if you work with a non-isothermal or ...@@ -269,3 +252,4 @@ Specifying a solid system is only necessary if you work with a non-isothermal or
5. Advanced: Use van Genuchten relationship with parameters: alpha = 0.0037 and alphalense = 0.00045, n = 4.7 and nlense = 7.3 5. Advanced: Use van Genuchten relationship with parameters: alpha = 0.0037 and alphalense = 0.00045, n = 4.7 and nlense = 7.3
**First step:** Go to <https://git.iws.uni-stuttgart.de/dumux-repositories/dumux-course/tree/master/exercises/exercise-fluidsystem> and check out the README **First step:** Go to <https://git.iws.uni-stuttgart.de/dumux-repositories/dumux-course/tree/master/exercises/exercise-fluidsystem> and check out the README
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