From 4de1f03788b0979e48f3f0a9a2d6343c88c3991f Mon Sep 17 00:00:00 2001 From: xavierr Date: Thu, 12 Dec 2024 12:05:05 +0000 Subject: [PATCH] deploy: c5960bf82638fff8536ff3988183c2b8b5f2bb31 --- _images/runProtonicMembrane_01.png | Bin 0 -> 18152 bytes _images/runProtonicMembrane_02.png | Bin 0 -> 18154 bytes _images/runProtonicMembrane_03.png | Bin 0 -> 16636 bytes _images/runProtonicMembrane_04.png | Bin 0 -> 18739 bytes .../runProtonicMembrane.rst.txt | 153 ++++++ .../runProtonicMembranePreamble.rst.txt | 114 +++++ .../runProtonicMembrane_source.rst.txt | 115 +++++ advancedtopics.html | 15 + architecture.html | 15 + basicusage.html | 15 + bibliography.html | 15 + compositeElectrode.html | 15 + computationalGraph/graphdoc.html | 15 + controlinput.html | 15 + genindex.html | 15 + geometryinput.html | 15 + gui.html | 19 +- gui_calculations.html | 15 + gui_features.html | 15 + gui_troubleshooting.html | 15 + index.html | 15 + installation.html | 15 + intermediate.html | 17 +- json.html | 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run_temperature_example.html | 15 + search.html | 15 + searchindex.js | 2 +- seealso.html | 15 + soliddiffusion.html | 15 + thermal.html | 15 + tutorials.html | 15 + units.html | 15 + 55 files changed, 2197 insertions(+), 6 deletions(-) create mode 100644 _images/runProtonicMembrane_01.png create mode 100644 _images/runProtonicMembrane_02.png create mode 100644 _images/runProtonicMembrane_03.png create mode 100644 _images/runProtonicMembrane_04.png create mode 100644 _sources/publishedExamples/runProtonicMembrane.rst.txt create mode 100644 _sources/publishedExamples/runProtonicMembranePreamble.rst.txt create mode 100644 _sources/publishedExamples/runProtonicMembrane_source.rst.txt create mode 100644 publishedExamples/runProtonicMembrane.html create mode 100644 publishedExamples/runProtonicMembranePreamble.html create mode 100644 publishedExamples/runProtonicMembrane_source.html diff --git a/_images/runProtonicMembrane_01.png b/_images/runProtonicMembrane_01.png new file mode 100644 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zD$)9%jrfqGZm$eL`U?RV{1Uc+2HFVVYmY|YiZ6SZ` and :battmofile:`1d-PM-geometry.json` + +.. code-block:: matlab + + filename = fullfile(battmoDir(), 'ProtonicMembrane', 'jsonfiles', 'protonicMembrane.json'); + jsonstruct_material = parseBattmoJson(filename); + + filename = fullfile(battmoDir(), 'ProtonicMembrane', 'jsonfiles', '1d-PM-geometry.json'); + jsonstruct_geometry = parseBattmoJson(filename); + + jsonstruct = mergeJsonStructs({jsonstruct_material, jsonstruct_geometry}); + + +Input structure setup +===================== +We setup the input parameter structure which will we be used to instantiate the model + +.. code-block:: matlab + + inputparams = ProtonicMembraneCellInputParams(jsonstruct); + + % We setup the grid, which is done by calling the function :battmo:`setupProtonicMembraneCellGrid` + [inputparams, gen] = setupProtonicMembraneCellGrid(inputparams, jsonstruct); + + +Model setup +=========== +We instantiate the model for the protonic membrane cell + +.. code-block:: matlab + + model = ProtonicMembraneCell(inputparams); + +The model is equipped for simulation using the following command (this step may become unnecessary in future versions) + +.. code-block:: matlab + + model = model.setupForSimulation(); + + +Initial state setup +=================== +We setup the initial state using a default setup included in the model + +.. code-block:: matlab + + state0 = model.setupInitialState(); + + +Schedule schedule +================= +We setup the schedule, which means the timesteps and also the control we want to use. In this case we use current control and the current equal to zero (see here :battmofile:`here`). +We compute the steady-state solution so that the time stepping here is more an artifact to reach the steady-state solution. In particular, it governs the pace at which we increase the non-linearity (not detailed here). + +.. code-block:: matlab + + schedule = model.Control.setupSchedule(inputparams.jsonstruct); + +We change the default tolerance + +.. code-block:: matlab + + model.nonlinearTolerance = 1e-8; + + +Simulation +========== +We run the simulation + +.. code-block:: matlab + + [~, states, report] = simulateScheduleAD(state0, model, schedule); + + +Plotting +======== +We setup som shortcuts for convenience + +.. code-block:: matlab + + an = 'Anode'; + ct = 'Cathode'; + elyte = 'Electrolyte'; + ctrl = 'Control'; + + set(0, 'defaultlinelinewidth', 3); + set(0, 'defaultaxesfontsize', 15); + +We recover the position of the mesh cell of the discretization grid. This is used when plotting the spatial distribution of some of the variables. + +.. code-block:: matlab + + xc = model.(elyte).grid.cells.centroids(:, 1); + +We consider the solution obtained at the last time step, which corresponds to the solution at steady-state. + +.. code-block:: matlab + + state = states{end}; + state = model.addVariables(state, schedule.control); + + figure(1) + plot(xc, state.(elyte).pi) + title('Electromotive potential (\pi)') + xlabel('x / m') + ylabel('\pi / V') + + figure(2) + plot(xc, state.(elyte).pi - state.(elyte).phi) + title('Electronic chemical potential (E)') + xlabel('x / m') + ylabel('E / V') + + figure(3) + plot(xc, state.(elyte).phi) + title('Electrostatic potential (\phi)') + xlabel('x / m') + ylabel('\phi / V') + + figure(4) + plot(xc, log(state.(elyte).sigmaEl)) + title('logarithm of conductivity (\sigma)') + xlabel('x / m') + xlabel('log(\sigma/Siemens)') + +.. figure:: runProtonicMembrane_01.png + :figwidth: 100% + +.. figure:: runProtonicMembrane_02.png + :figwidth: 100% + +.. figure:: runProtonicMembrane_03.png + :figwidth: 100% + +.. figure:: runProtonicMembrane_04.png + :figwidth: 100% + + + +complete source code can be found :ref:`here` diff --git a/_sources/publishedExamples/runProtonicMembranePreamble.rst.txt b/_sources/publishedExamples/runProtonicMembranePreamble.rst.txt new file mode 100644 index 00000000..cc6581d6 --- /dev/null +++ b/_sources/publishedExamples/runProtonicMembranePreamble.rst.txt @@ -0,0 +1,114 @@ +Model overview +============== + +We consider the model of a mixed proton and electron conducting membrane, as described in :cite:`V_llestad_2019` from 2019. + +Governing equations +------------------- + +We have three components given by the proton (:math:`H^+`), the :math:`p` and :math:`n` type. We want to find expressions for the fluxes for each of the components + +We denote by :math:`\phi` the electrostatic potential. For each of the components :math:`\alpha=\{H^+, p, n\}`, we +introduce the electrochemical potential denoted :math:`\bar\mu_\alpha` and the chemical potential denoted +:math:`\mu_\alpha`. The potentials are related with each other through the relation + +.. math:: + + \bar\mu_\alpha = \mu_\alpha + z_\alpha F \phi + +The fluxes are governed by the gradient of the electrochemical potential. We have + +.. math:: + + j_{\alpha} = -k_\alpha\nabla\bar\mu_\alpha + +for some coefficient :math:`k_\alpha` which is not necessarily a constant. + +We assume that the chemical potential of :math:`H^+`, that is :math:`\mu_{H^+}`, is constant in the electrolyte and that +:math:`k_{H^+}` is constant. Hence, the current density of :math:`H^+` is given + +.. math:: + + i_{H^+} = -\sigma_{H^+} \nabla \phi, + +for a constant conductivity :math:`\sigma_{H^+}`. We denote by :math:`E = -\frac{\mu_n}{F}` the electronic chemical potential and :math:`\pi = E + \phi` the electromotive potential. Since we have equilibrium for the n-p reaction, we have the identity + +.. math:: + + d\mu_p + d\mu_n = 0. + +For the :math:`p` and :math:`n` type conductivities, we use the empirical relations + +.. math:: + + \sigma_p(E) = \sigma_p^0\exp\left(\frac{F(E - E_{\text{ref},p})}{RT}\right)\quad\text{ and }\quad\sigma_n(E) = \sigma_n^0\exp\left(\frac{-F(E - E_{\text{ref},n})}{RT}\right). + +Here :math:`E_{\text{ref},p}` and :math:`E_{\text{ref},n}` are two reference potentials (see below). + +We consider the steady state. We could introduce later charge and mass capacitors. The unknowns are the functions :math:`\phi(x)` and :math:`E(x)` in the electrolyte. The governing equations are given by the mass conservation for the proton and the charge conservation. + +The mass conservation for $H^+$ is given by + +.. math:: + + \nabla\cdot j_{H^+} = 0. + +The current density is given by :math:`i = F (j_{H^+} + j_p - j_n)` and the \textbf{charge +conservation equation} is + +.. math:: + + \nabla\cdot i = 0. + +We introduce the electronic current density :math:`i_{\text{el}} = F(j_p - j_n)` and we get + +.. math:: + + \nabla\cdot i_{\text{el}} = 0. + +We can rewrite :math:`i_{\text{el}}` as + +.. math:: + + i_{\text{el}} = - (\sigma_p(E) + \sigma_n(E))\nabla ( E + \phi ). + +The governing equations for :math:`\phi(x)` and :math:`\pi(x)` are therefore the differential equations + +.. math:: + + \begin{align} + -\nabla\cdot(\sigma_{H^+}\nabla\phi) &= 0,\\ + -\nabla\cdot((\sigma_p(E) + \sigma_n(E))\nabla \pi) &= 0. + \end{align} + +Boundary conditions +------------------- + +We define the over-potential :math:`\eta` as + +.. math:: + + \eta_\text{elde} = \pi_\text{elde} - \phi_\text{elde} - \text{OCP}_\text{elde} + +where :math:`\text{OCP}_\text{elde}` is the open-circuit potential for the given electrode. The value of the +$\text{OCP}$ at each electrode depend on the composition at the electrode (see :cite:`V_llestad_2019` for the expressions). + +At the anode, we imposte that the proton current is given through the following Buttler-Volmer type expression + +.. math:: + i_{H^+, \text{an}} = -i_0\frac{e^{-\beta\frac{ z F \eta_{\text{an}}}{RT}} - e^{( 1- \beta)\frac{ z F \eta_{\text{an}}}{RT}}}{ 1+ \frac{i_0}{i_{l,c}}e^{-\beta\frac{ z F \eta_{\text{an}}}{RT}} - \frac{i_0}{i_{l,a}}e^{( 1- \beta)\frac{ z F \eta_{\text{an}}}{RT}}} + + +Here, :math:`i_{l,c}` and :math:`i_{l,a}` are given constants. The value of the reference current density $i_0$ is also constant + +The total current is given by :math:`i_{\text{an}} = I` for some constant current $I$. + +At the cathode, we impose that the electrostatic potential is equal to zero and +a relation between the :math:`H^+` current and the over-potential that takes a linear form, + +.. math:: + + R_\text{CT} \ i_{H^+, \text{ct}} = \eta_\text{ct}, + +for a given charge transfer constant :math:`R_\text{CT}`. + diff --git a/_sources/publishedExamples/runProtonicMembrane_source.rst.txt b/_sources/publishedExamples/runProtonicMembrane_source.rst.txt new file mode 100644 index 00000000..c0bd70d5 --- /dev/null +++ b/_sources/publishedExamples/runProtonicMembrane_source.rst.txt @@ -0,0 +1,115 @@ +:orphan: + +.. _runProtonicMembrane_source: + +Source code for runProtonicMembrane +----------------------------------- + +.. code:: matlab + + + %% Protonic Membrane model + + + %% Load and parse input from given json files + % The source of the json files can be seen in :battmofile:`protonicMembrane` and + % :battmofile:`1d-PM-geometry.json` + + filename = fullfile(battmoDir(), 'ProtonicMembrane', 'jsonfiles', 'protonicMembrane.json'); + jsonstruct_material = parseBattmoJson(filename); + + filename = fullfile(battmoDir(), 'ProtonicMembrane', 'jsonfiles', '1d-PM-geometry.json'); + jsonstruct_geometry = parseBattmoJson(filename); + + jsonstruct = mergeJsonStructs({jsonstruct_material, jsonstruct_geometry}); + + %% Input structure setup + % We setup the input parameter structure which will we be used to instantiate the model + + inputparams = ProtonicMembraneCellInputParams(jsonstruct); + + % We setup the grid, which is done by calling the function :battmo:`setupProtonicMembraneCellGrid` + [inputparams, gen] = setupProtonicMembraneCellGrid(inputparams, jsonstruct); + + %% Model setup + % We instantiate the model for the protonic membrane cell + model = ProtonicMembraneCell(inputparams); + + %% + % The model is equipped for simulation using the following command (this step may become unnecessary in future versions) + model = model.setupForSimulation(); + + %% Initial state setup + % We setup the initial state using a default setup included in the model + state0 = model.setupInitialState(); + + %% Schedule schedule + % We setup the schedule, which means the timesteps and also the control we want to use. In this case we use current + % control and the current equal to zero (see here :battmofile:`here`). + % + % We compute the steady-state solution so that the time stepping here is more an artifact to reach the steady-state + % solution. In particular, it governs the pace at which we increase the non-linearity (not detailed here). + + schedule = model.Control.setupSchedule(inputparams.jsonstruct); + + %% + % We change the default tolerance + model.nonlinearTolerance = 1e-8; + + %% Simulation + % We run the simulation + + [~, states, report] = simulateScheduleAD(state0, model, schedule); + + %% Plotting + % + + %% + % We setup som shortcuts for convenience + an = 'Anode'; + ct = 'Cathode'; + elyte = 'Electrolyte'; + ctrl = 'Control'; + + set(0, 'defaultlinelinewidth', 3); + set(0, 'defaultaxesfontsize', 15); + + %% + % We recover the position of the mesh cell of the discretization grid. This is used when plotting the spatial + % distribution of some of the variables. + xc = model.(elyte).grid.cells.centroids(:, 1); + + %% + % We consider the solution obtained at the last time step, which corresponds to the solution at steady-state. + state = states{end}; + state = model.addVariables(state, schedule.control); + + figure(1) + plot(xc, state.(elyte).pi) + title('Electromotive potential (\pi)') + xlabel('x / m') + ylabel('\pi / V') + + figure(2) + plot(xc, state.(elyte).pi - state.(elyte).phi) + title('Electronic chemical potential (E)') + xlabel('x / m') + ylabel('E / V') + + figure(3) + plot(xc, state.(elyte).phi) + title('Electrostatic potential (\phi)') + xlabel('x / m') + ylabel('\phi / V') + + figure(4) + plot(xc, log(state.(elyte).sigmaEl)) + title('logarithm of conductivity (\sigma)') + xlabel('x / m') + xlabel('log(\sigma/Siemens)') + + + + + + diff --git a/advancedtopics.html b/advancedtopics.html index 591fb5b8..af973cc0 100644 --- a/advancedtopics.html +++ b/advancedtopics.html @@ -163,6 +163,21 @@

+
  • Protonic Membrane +
  • BattMo App
    • Features
      • +
    • Protonic Membrane +
    • BattMo App
      • Features
        • +
      • Protonic Membrane +
      • BattMo App
        • Features
          • +
        • Protonic Membrane +
        • BattMo App
          • Features
            • Use default materials
              • diff --git a/compositeElectrode.html b/compositeElectrode.html index 2374ee7f..688b13ba 100644 --- a/compositeElectrode.html +++ b/compositeElectrode.html @@ -161,6 +161,21 @@
            • pH distribution plot
            • +
          • Protonic Membrane +
          • BattMo App
            • Features
              • Use default materials
                • diff --git a/computationalGraph/graphdoc.html b/computationalGraph/graphdoc.html index 33164b91..28d394be 100644 --- a/computationalGraph/graphdoc.html +++ b/computationalGraph/graphdoc.html @@ -164,6 +164,21 @@
              • pH distribution plot
              • +
            • Protonic Membrane +
            • BattMo App
              • Features
                • +
              • Protonic Membrane +
              • BattMo App
                • Features
                  • +
                • Protonic Membrane +
                • BattMo App
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                    • +
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                      • +
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                      • Features
                        • +
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                            • Use default materials
                              • diff --git a/gui_troubleshooting.html b/gui_troubleshooting.html index 5609824b..04018a8f 100644 --- a/gui_troubleshooting.html +++ b/gui_troubleshooting.html @@ -163,6 +163,21 @@
                            • pH distribution plot
                            • +
                          • Protonic Membrane +
                          • BattMo App
                            • Features
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                                      • @@ -340,7 +355,7 @@

                                      File links and insertions with jsonstruct that is obtained is equivalent to the one where we would have copied and paste the content of graphite.json.

                                      -
                                      +
                                      "NegativeElectrode": {
   "Coating": {
     "ActiveMaterial": {
diff --git a/json.html b/json.html
index bc28ff45..775fb46d 100644
--- a/json.html
+++ b/json.html
@@ -163,6 +163,21 @@
 
                                    • pH distribution plot
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                                    • +
                                  • Protonic Membrane +
                                  • BattMo App
                                    • Features
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                                            • diff --git a/modelinitialisation.html b/modelinitialisation.html index aacd74b8..abff701c 100644 --- a/modelinitialisation.html +++ b/modelinitialisation.html @@ -163,6 +163,21 @@
                                          • pH distribution plot
                                          • +
                                        • Protonic Membrane +
                                        • BattMo App
                                          • Features
                                            • Use default materials
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                                            • +
                                          • Protonic Membrane +
                                          • BattMo App
                                            • Features
                                              • +
                                            • Protonic Membrane +
                                            • BattMo App
                                              • Features
                                                • +
                                              • Protonic Membrane +
                                              • BattMo App
                                                • Features
                                                  • Use default materials
                                                    • diff --git a/publishedExamples/battMoTutorial.html b/publishedExamples/battMoTutorial.html index e7380f43..86117545 100644 --- a/publishedExamples/battMoTutorial.html +++ b/publishedExamples/battMoTutorial.html @@ -161,6 +161,21 @@
                                                  • pH distribution plot
                                                  • +
                                                • Protonic Membrane +
                                                • BattMo App
                                                  • Features
                                                    • Use default materials
                                                      • diff --git a/publishedExamples/battMoTutorial_source.html b/publishedExamples/battMoTutorial_source.html index 533d8369..b5e9b500 100644 --- a/publishedExamples/battMoTutorial_source.html +++ b/publishedExamples/battMoTutorial_source.html @@ -161,6 +161,21 @@
                                                    • pH distribution plot
                                                    • +
                                                  • Protonic Membrane +
                                                  • BattMo App
                                                    • Features
                                                      • Use default materials
                                                        • diff --git a/publishedExamples/runBatteryP2D.html b/publishedExamples/runBatteryP2D.html index 4854ca2d..02895b70 100644 --- a/publishedExamples/runBatteryP2D.html +++ b/publishedExamples/runBatteryP2D.html @@ -161,6 +161,21 @@
                                                      • pH distribution plot
                                                      • +
                                                    • Protonic Membrane +
                                                    • BattMo App
                                                      • Features
                                                        • Use default materials
                                                          • diff --git a/publishedExamples/runBatteryP2D_source.html b/publishedExamples/runBatteryP2D_source.html index 0a87f5e2..7f93c7ca 100644 --- a/publishedExamples/runBatteryP2D_source.html +++ b/publishedExamples/runBatteryP2D_source.html @@ -161,6 +161,21 @@
                                                        • pH distribution plot
                                                        • +
                                                      • Protonic Membrane +
                                                      • BattMo App
                                                        • Features
                                                          • Use default materials
                                                            • diff --git a/publishedExamples/runElectrolyser.html b/publishedExamples/runElectrolyser.html index 2ed88465..c0838e55 100644 --- a/publishedExamples/runElectrolyser.html +++ b/publishedExamples/runElectrolyser.html @@ -28,7 +28,7 @@ - + @@ -164,6 +164,21 @@
                                                          • pH distribution plot
                                                          • +
                                                        • Protonic Membrane +
                                                        • BattMo App
                                                          • Features
                                                            • Use default materials
                                                              • @@ -478,7 +493,7 @@

                                                              pH distribution plot
                                                              diff --git a/publishedExamples/runElectrolyserPreamble.html b/publishedExamples/runElectrolyserPreamble.html index df948e10..80b2342e 100644 --- a/publishedExamples/runElectrolyserPreamble.html +++ b/publishedExamples/runElectrolyserPreamble.html @@ -162,6 +162,21 @@
                                                            • pH distribution plot

                                                            • +
                                                          • Protonic Membrane +
                                                          • BattMo App
                                                            • Features
                                                              • Use default materials
                                                                • diff --git a/publishedExamples/runElectrolyser_source.html b/publishedExamples/runElectrolyser_source.html index 86ef1dda..7a48dea8 100644 --- a/publishedExamples/runElectrolyser_source.html +++ b/publishedExamples/runElectrolyser_source.html @@ -161,6 +161,21 @@
                                                              • pH distribution plot
                                                              • +
                                                            • Protonic Membrane +
                                                            • BattMo App
                                                              • Features
                                                                • Use default materials
                                                                  • diff --git a/publishedExamples/runJsonScript.html b/publishedExamples/runJsonScript.html index 8c805a6d..e1defb19 100644 --- a/publishedExamples/runJsonScript.html +++ b/publishedExamples/runJsonScript.html @@ -161,6 +161,21 @@
                                                                • pH distribution plot
                                                                • +
                                                              • Protonic Membrane +
                                                              • BattMo App
                                                                • Features
                                                                  • Use default materials
                                                                    • diff --git a/publishedExamples/runJsonScript_source.html b/publishedExamples/runJsonScript_source.html index b1a6f07e..ab47585c 100644 --- a/publishedExamples/runJsonScript_source.html +++ b/publishedExamples/runJsonScript_source.html @@ -161,6 +161,21 @@
                                                                  • pH distribution plot
                                                                  • +
                                                                • Protonic Membrane +
                                                                • BattMo App
                                                                  • Features
                                                                    • +
                                                                  • Protonic Membrane +
                                                                  • BattMo App
                                                                    • Features
                                                                      • Use default materials
                                                                        • diff --git a/publishedExamples/runSEIActiveMaterial_source.html b/publishedExamples/runSEIActiveMaterial_source.html index 3137cbf2..ef4c45d8 100644 --- a/publishedExamples/runSEIActiveMaterial_source.html +++ b/publishedExamples/runSEIActiveMaterial_source.html @@ -161,6 +161,21 @@
                                                                      • pH distribution plot
                                                                      • +
                                                                    • Protonic Membrane +
                                                                    • BattMo App
                                                                      • Features
                                                                        • Use default materials
                                                                          • diff --git a/publishedExamples/runSiliconGraphiteBattery.html b/publishedExamples/runSiliconGraphiteBattery.html index 2101cfca..c10e3bd4 100644 --- a/publishedExamples/runSiliconGraphiteBattery.html +++ b/publishedExamples/runSiliconGraphiteBattery.html @@ -161,6 +161,21 @@
                                                                        • pH distribution plot
                                                                        • +
                                                                      • Protonic Membrane +
                                                                      • BattMo App
                                                                        • Features
                                                                          • Use default materials
                                                                            • diff --git a/publishedExamples/runSiliconGraphiteBattery_source.html b/publishedExamples/runSiliconGraphiteBattery_source.html index a4397730..eee3ff36 100644 --- a/publishedExamples/runSiliconGraphiteBattery_source.html +++ b/publishedExamples/runSiliconGraphiteBattery_source.html @@ -161,6 +161,21 @@
                                                                          • pH distribution plot
                                                                          • +
                                                                        • Protonic Membrane +
                                                                        • BattMo App
                                                                          • Features
                                                                            • Use default materials
                                                                              • diff --git a/run_temperature_example.html b/run_temperature_example.html index 24341d8f..db4e7138 100644 --- a/run_temperature_example.html +++ b/run_temperature_example.html @@ -161,6 +161,21 @@
                                                                            • pH distribution plot
                                                                            • +
                                                                          • Protonic Membrane +
                                                                          • BattMo App
                                                                            • Features
                                                                              • +
                                                                            • Protonic Membrane +
                                                                            • BattMo App
                                                                              • Features
                                                                                • Use default materials
                                                                                  • diff --git a/searchindex.js b/searchindex.js index b5a8bfa7..9ee943eb 100644 --- a/searchindex.js +++ b/searchindex.js @@ -1 +1 @@ -Search.setIndex({"docnames": ["advancedtopics", "architecture", "basicusage", "bibliography", "compositeElectrode", "computationalGraph/graphdoc", "controlinput", "geometryinput", "gui", "gui_calculations", "gui_features", "gui_troubleshooting", "index", "installation", "intermediate", "json", "jsonexample", "juliabridge", "modelinitialisation", "octave", "optimisation", "parsets", "publishedExamples/battMoTutorial", "publishedExamples/battMoTutorial_source", "publishedExamples/runBatteryP2D", "publishedExamples/runBatteryP2D_source", "publishedExamples/runElectrolyser", "publishedExamples/runElectrolyserPreamble", "publishedExamples/runElectrolyser_source", "publishedExamples/runJsonScript", "publishedExamples/runJsonScript_source", "publishedExamples/runSEIActiveMaterial", "publishedExamples/runSEIActiveMaterial_source", "publishedExamples/runSiliconGraphiteBattery", "publishedExamples/runSiliconGraphiteBattery_source", "run_temperature_example", "seealso", "soliddiffusion", "thermal", "tutorials", "units"], "filenames": ["advancedtopics.rst", "architecture.rst", "basicusage.rst", "bibliography.rst", "compositeElectrode.rst", "computationalGraph/graphdoc.rst", "controlinput.rst", "geometryinput.rst", "gui.rst", "gui_calculations.rst", "gui_features.rst", "gui_troubleshooting.rst", "index.rst", "installation.rst", "intermediate.rst", "json.rst", "jsonexample.rst", "juliabridge.rst", "modelinitialisation.rst", "octave.rst", "optimisation.rst", "parsets.rst", "publishedExamples/battMoTutorial.rst", "publishedExamples/battMoTutorial_source.rst", "publishedExamples/runBatteryP2D.rst", "publishedExamples/runBatteryP2D_source.rst", "publishedExamples/runElectrolyser.rst", "publishedExamples/runElectrolyserPreamble.rst", "publishedExamples/runElectrolyser_source.rst", "publishedExamples/runJsonScript.rst", "publishedExamples/runJsonScript_source.rst", "publishedExamples/runSEIActiveMaterial.rst", "publishedExamples/runSEIActiveMaterial_source.rst", "publishedExamples/runSiliconGraphiteBattery.rst", "publishedExamples/runSiliconGraphiteBattery_source.rst", "run_temperature_example.rst", "seealso.rst", "soliddiffusion.rst", "thermal.rst", "tutorials.rst", "units.rst"], "titles": ["Advanced Usage", "BattMo Model Architecture", "Basic Usage", "Reference lists", "Composite electrode json input file", "Computation Graph Model Design ang Assembly", "Control models", "Battery Geometries", "BattMo App", "Calculations", "Features", "Troubleshooting", "Welcome", "Installation and First Steps", "Intermediate usage", "JSON input specification", "Json input example", "BattMo Julia bridge", "The Battery Simulation Model", "Note on Octave Support", "Optimization", "Parameter sets", "BattMo Tutorial", "Source code for 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"runprotonicmembran": 33, "particl": 34, "sei": 34, "growth": 34, "runseiactivemateri": 35, "silicon": 36, "graphit": 36, "shortcut": 36, "instanti": 36, "discharg": 36, "perio": 36, "visualis": 36, "runsilicongraphitebatteri": 37, "runthermalmodel": 38, "see": 39, "also": 39, "factori": 39, "fair": 39, "curat": 42, "unit": 43, "convert": 43}, "envversion": {"sphinx.domains.c": 2, "sphinx.domains.changeset": 1, "sphinx.domains.citation": 1, "sphinx.domains.cpp": 8, "sphinx.domains.index": 1, "sphinx.domains.javascript": 2, "sphinx.domains.math": 2, "sphinx.domains.python": 3, "sphinx.domains.rst": 2, "sphinx.domains.std": 2, "sphinxcontrib.bibtex": 9, "sphinx.ext.intersphinx": 1, "sphinx": 57}, "alltitles": {"Advanced Usage": [[0, "advanced-usage"]], "BattMo Model Architecture": [[1, "battmo-model-architecture"]], "Basic Usage": [[2, "basic-usage"]], "A First BattMo Model": [[2, "a-first-battmo-model"]], "Define Parameters": [[2, "define-parameters"], [14, "define-parameters"]], "Run Simulation": [[2, "run-simulation"], [14, "run-simulation"]], "Show the Dashboard": [[2, "show-the-dashboard"]], "Explore the Output": [[2, "explore-the-output"]], "Explore the Grid": [[2, "explore-the-grid"]], "Explore the States": [[2, "explore-the-states"]], "Plot a Result": [[2, "plot-a-result"]], "Change Control Parameters": [[2, "change-control-parameters"]], "Change Structural Parameters": [[2, "change-structural-parameters"]], "Change Material Parameters": [[2, "change-material-parameters"]], "Notebooks": [[2, "notebooks"]], "Next Steps": [[2, "next-steps"]], "Reference lists": [[3, "reference-lists"]], "Composite electrode json input file": [[4, "composite-electrode-json-input-file"]], "Computation Graph Model Design ang Assembly": [[5, "computation-graph-model-design-ang-assembly"]], "A simple introduction example": [[5, "a-simple-introduction-example"]], "Graph composition": [[5, "graph-composition"]], "Graph Setup and Implementation": [[5, "graph-setup-and-implementation"]], "Control models": [[6, "control-models"]], "Json input control interface": [[6, "json-input-control-interface"]], "Control model description": [[6, "control-model-description"]], "Battery Geometries": [[7, "battery-geometries"]], "BatteryGeneratorP2D": [[7, "batterygeneratorp2d"]], "Parameters with values used in plot above": [[7, "id2"], [7, "id3"], [7, "id4"]], "BatteryGeneratorP3D": [[7, "batterygeneratorp3d"]], "BatteryGeneratorP4D": [[7, "batterygeneratorp4d"]], "SpiralBatteryGenerator": [[7, "spiralbatterygenerator"]], "Thickness and discretization number (N) are passed through the dictionaries widthDict and nrDict, with values used in plot above.": [[7, "id5"]], "Other parameters, with values used in plot above.": [[7, "id6"]], "CoinCellBatteryGenerator": [[7, "coincellbatterygenerator"]], "Parameters for each component : thickness, diameter, number of cell layers (Nl), with the values used in the plot above (a CR 2016 coin cell)": [[7, "id7"]], "Other parameters, with values used in plot above": [[7, "id8"], [7, "id10"]], "BatteryGeneratorMultilayerPouch": [[7, "batterygeneratormultilayerpouch"]], "Parameters for each component : thickness and number of cell (Nl) for a layer, with the values used in the plot above": [[7, "id9"]], "BattMo App": [[8, "battmo-app"]], "Calculations": [[9, "calculations"]], "Features": [[10, "features"]], "Use default materials": [[10, "use-default-materials"]], "Define your own materials": [[10, "define-your-own-materials"]], "Visualize your geometry": [[10, "visualize-your-geometry"]], "Download your input data": [[10, "download-your-input-data"]], "Visualize and download your results": [[10, "visualize-and-download-your-results"]], "Troubleshooting": [[11, "troubleshooting"]], "Unnatural artifacts in your results": [[11, "unnatural-artifacts-in-your-results"]], "Welcome": [[12, "welcome"]], "Acknowledgements": [[12, "acknowledgements"]], "Installation and First Steps": [[13, "installation-and-first-steps"]], "Intermediate usage": [[14, "intermediate-usage"]], "Setup a P4D Model using mergeJsonStructs": [[14, "setup-a-p4d-model-using-mergejsonstructs"]], "Visualize Results": [[14, "visualize-results"]], "File links and insertions with parseBattmoJson": [[14, "file-links-and-insertions-with-parsebattmojson"]], "JSON input specification": [[15, "json-input-specification"]], "Simulation Schema": [[15, "simulation-schema"]], "Material Parameters": [[15, "material-parameters"]], "Electrolyte": [[15, "electrolyte"], [16, "electrolyte"]], "Electrode": [[15, "electrode"]], "Coating": [[15, "coating"], [16, "coating"]], "Active Material": [[15, "active-material"], [16, "active-material"]], "Interface": [[15, "interface"], [16, "interface"]], "Solid Diffusion": [[15, "solid-diffusion"], [16, "solid-diffusion"]], "Full Solid Diffusion": [[15, "full-solid-diffusion"]], "Binder": [[15, "binder"], [16, "binder"]], "Conducting Additive": [[15, "conducting-additive"], [16, "conducting-additive"]], "Current Collector": [[15, "current-collector"], [16, "current-collector"]], "Separator": [[15, "separator"], [16, "separator"]], "Thermal Model": [[15, "thermal-model"], [16, "thermal-model"]], "Geometry Setup": [[15, "geometry-setup"]], "Simulation Control Parameters": [[15, "simulation-control-parameters"]], "Time Stepping Parameters": [[15, "time-stepping-parameters"]], "Solver Parameters": [[15, "solver-parameters"]], "Output Parameters": [[15, "output-parameters"]], "Json input example": [[16, "json-input-example"]], "Simulation": [[16, "simulation"], [31, "simulation"]], "Battery": [[16, "battery"]], "Negative Electrode": [[16, "negative-electrode"]], "Positive Electrode": [[16, "positive-electrode"]], "Geometry": [[16, "geometry"], [29, "geometry"]], "Model Specification": [[16, "model-specification"]], "Control": [[16, "control"], [29, "control"]], "Time Stepping": [[16, "time-stepping"]], "State Initialization": [[16, "state-initialization"]], "BattMo Julia bridge": [[17, "battmo-julia-bridge"]], "Introduction": [[17, "introduction"]], "Start Server": [[17, "start-server"]], "Send simulation parameters": [[17, "send-simulation-parameters"]], "Run the simulation": [[17, "run-the-simulation"], [24, "run-the-simulation"], [26, "run-the-simulation"]], "Post process the output": [[17, "post-process-the-output"]], "The Battery Simulation Model": [[18, "the-battery-simulation-model"]], "Initialisation of a battery simulation model": [[18, "initialisation-of-a-battery-simulation-model"]], "Inspection of the model": [[18, "inspection-of-the-model"]], "Computing and inspecting some standard static properties of the model": [[18, "computing-and-inspecting-some-standard-static-properties-of-the-model"]], "Note on Octave Support": [[19, "note-on-octave-support"]], "Optimization": [[20, "optimization"]], "Parameter identification example": [[20, "parameter-identification-example"]], "Optimization example": [[20, "optimization-example"]], "Parameter sets": [[21, "parameter-sets"], [21, "id4"]], "BattMo Tutorial": [[22, "battmo-tutorial"]], "Setting up the environment": [[22, "setting-up-the-environment"], [29, "setting-up-the-environment"]], "Specifying the physical model": [[22, "specifying-the-physical-model"]], "Setting up the geometry": [[22, "setting-up-the-geometry"]], "Initialising the battery model object": [[22, "initialising-the-battery-model-object"]], "Plotting the OCP curves against state of charge": [[22, "plotting-the-ocp-curves-against-state-of-charge"]], "Controlling the simulation": [[22, "controlling-the-simulation"]], "Setting the initial state of the battery": [[22, "setting-the-initial-state-of-the-battery"]], "Running the simulation": [[22, "running-the-simulation"]], "Plotting the results": [[22, "plotting-the-results"]], "Source code for battMoTutorial": [[23, "source-code-for-battmotutorial"]], "Pseudo-Two-Dimensional (P2D) Lithium-Ion Battery Model": [[24, "pseudo-two-dimensional-p2d-lithium-ion-battery-model"]], "Import the required modules from MRST": [[24, "import-the-required-modules-from-mrst"], [34, "import-the-required-modules-from-mrst"], [36, "import-the-required-modules-from-mrst"]], "Setup the properties of Li-ion battery materials and cell design": [[24, "setup-the-properties-of-li-ion-battery-materials-and-cell-design"], [34, "setup-the-properties-of-li-ion-battery-materials-and-cell-design"]], "Setup the geometry and computational grid": [[24, "setup-the-geometry-and-computational-grid"]], "Initialize the battery model.": [[24, "initialize-the-battery-model"]], "Compute the nominal cell capacity and choose a C-Rate": [[24, "compute-the-nominal-cell-capacity-and-choose-a-c-rate"]], "Setup the schedule": [[24, "setup-the-schedule"]], "Setup the initial state of the model": [[24, "setup-the-initial-state-of-the-model"], [36, "setup-the-initial-state-of-the-model"]], "Setup the properties of the nonlinear solver": [[24, "setup-the-properties-of-the-nonlinear-solver"], [36, "setup-the-properties-of-the-nonlinear-solver"]], "Process output and recover the output voltage and current from the output states.": [[24, "process-output-and-recover-the-output-voltage-and-current-from-the-output-states"]], "Source code for runBatteryP2D": [[25, "source-code-for-runbatteryp2d"]], "Alkaline Membrane Electrolyser": [[26, "alkaline-membrane-electrolyser"]], "Load MRST modules": [[26, "load-mrst-modules"]], "Setup input": [[26, "setup-input"]], "Setup model": [[26, "setup-model"]], "Setup the initial condition": [[26, "setup-the-initial-condition"]], "Setup the schedule with the time discretization": [[26, "setup-the-schedule-with-the-time-discretization"]], "Setup the non-linear solver": [[26, "setup-the-non-linear-solver"]], "Visualize the results": [[26, "visualize-the-results"]], "pH distribution plot": [[26, "ph-distribution-plot"]], "Source code for runElectrolyser": [[28, "source-code-for-runelectrolyser"]], "BattMo example Json input": [[29, "battmo-example-json-input"]], "We load the json files": [[29, "we-load-the-json-files"]], "Material properties": [[29, "material-properties"]], "Simulation parameters": [[29, "simulation-parameters"]], "Ouput specificiations": [[29, "ouput-specificiations"]], "We start the simulation": [[29, "we-start-the-simulation"]], "Plotting": [[29, "plotting"], [31, "plotting"], [34, "plotting"]], "Source code for runJsonScript": [[30, "source-code-for-runjsonscript"]], "Protonic Membrane model": [[31, "protonic-membrane-model"]], "Model overview": [[31, "model-overview"], [32, "model-overview"]], "Governing equations": [[31, "governing-equations"], [32, "governing-equations"]], "Boundary conditions": [[31, "boundary-conditions"], [32, "boundary-conditions"]], "Load and parse input from given json files": [[31, "load-and-parse-input-from-given-json-files"]], "Input structure setup": [[31, "input-structure-setup"]], "Model setup": [[31, "model-setup"]], "Initial state setup": [[31, "initial-state-setup"]], "Schedule schedule": [[31, "schedule-schedule"]], "Source code for runProtonicMembrane": [[33, "source-code-for-runprotonicmembrane"]], "Particle simulation with SEI layer growth": [[34, "particle-simulation-with-sei-layer-growth"]], "Setup the model": [[34, "setup-the-model"]], "Setup initial state": [[34, "setup-initial-state"]], "Setup schedule": [[34, "setup-schedule"]], "Setup non-linear solver": [[34, "setup-non-linear-solver"]], "Run simulation": [[34, "run-simulation"]], "Source code for runSEIActiveMaterial": [[35, "source-code-for-runseiactivematerial"]], "Composite Silicon Graphite electrode": [[36, "composite-silicon-graphite-electrode"]], "Shortcuts": [[36, "shortcuts"]], "Setup the properties of the battery": [[36, "setup-the-properties-of-the-battery"]], "Model Instantiation": [[36, "model-instantiation"]], "Setup schedule (control and time stepping)": [[36, "setup-schedule-control-and-time-stepping"]], "Run the simulation for the discharge": [[36, "run-the-simulation-for-the-discharge"]], "Setup charge schedule": [[36, "setup-charge-schedule"]], "Run the simulation for the charge perios": [[36, "run-the-simulation-for-the-charge-perios"]], "Visualisation": [[36, "visualisation"]], "Source code for runSiliconGraphiteBattery": [[37, "source-code-for-runsilicongraphitebattery"]], "runThermalModel": [[38, "runthermalmodel"]], "See Also": [[39, "see-also"]], "MRST": [[39, "mrst"]], "Visualization Tutorial": [[39, "visualization"]], "Grid Factory Tutorial": [[39, "id2"]], "FAIR Data": [[39, "fair-data"]], "Solid Diffusion Models": [[40, "solid-diffusion-models"]], "Thermal Simulation": [[41, "thermal-simulation"]], "List of curated examples": [[42, "list-of-curated-examples"]], "Units": [[43, "units"]], "Converting units in BattMo": [[43, "converting-units-in-battmo"]], "Units and JSON input": [[43, "units-and-json-input"]]}, "indexentries": {}}) \ No newline at end of file diff --git a/seealso.html b/seealso.html index cd976f5f..a54bfc01 100644 --- a/seealso.html +++ b/seealso.html @@ -163,6 +163,21 @@
                                                                                • pH distribution plot
                                                                                • +
                                                                              • Protonic Membrane +
                                                                              • BattMo App
  • pH distribution plot