.. _sphx_glr_examples_python_kinetics:

Kinetics
--------



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    <div class="sphx-glr-thumbcontainer" tooltip="This script uses Graphviz to generate an image. You must have Graphviz installed and the program &#x27;dot&#x27; must be on your path for this example to work. Graphviz can be obtained from https://www.graphviz.org/ or (possibly) installed using your operating system&#x27;s package manager.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_reaction_path_thumb.svg
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  :ref:`sphx_glr_examples_python_kinetics_reaction_path.py`

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      <div class="sphx-glr-thumbnail-title">Viewing a reaction path diagram</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="This example computes the growth rate of a diamond film according to a simplified version of a particular published growth mechanism (see ../../input/diamond for details). Only the surface coverage equations are solved here; the gas composition is fixed. (For an example of coupled gas-phase and surface, see ../onedim/catalytic_combustion.) Atomic hydrogen plays an important role in diamond CVD, and this example computes the growth rate and surface coverages as a function of [H] at the surface for fixed temperature and [CH3].">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_diamond_cvd_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_diamond_cvd.py`

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      <div class="sphx-glr-thumbnail-title">Growth of diamond film using CVD</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Simulate species profiles for a shock tube as a function of time, and observe the impact of incorporating the reduced-pressure linear mixture rule (LMR-R) in such calculations.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_shock_tube_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_shock_tube.py`

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      <div class="sphx-glr-thumbnail-title">Shock-tube species profiles as a function of time</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="An example demonstrating how to use Species and Reaction objects to programmatically extract a reaction submechanism. In this example, the CO/H2 oxidation reactions are extracted from the GRI 3.0 mechanism.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_extract_submechanism_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_extract_submechanism.py`

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      <div class="sphx-glr-thumbnail-title">Extracting a sub-mechanism</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="A simplistic approach to mechanism reduction which demonstrates Cantera&#x27;s features for dynamically manipulating chemical mechanisms.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_mechanism_reduction_thumb.png
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  :ref:`sphx_glr_examples_python_kinetics_mechanism_reduction.py`

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      <div class="sphx-glr-thumbnail-title">Mechanism reduction</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="A simple example to demonstrate the difference between Blowers-Masel reaction and elementary reaction.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_blowers_masel_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_blowers_masel.py`

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      <div class="sphx-glr-thumbnail-title">Blowers-Masel reaction rates</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Simulate temperature profiles and species profiles in a jet-stirred reactor across a range of initial temperatures, and observe the impact of incorporating the reduced-pressure linear mixture rule (LMR-R) in such calculations.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_jet_stirred_reactor_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_jet_stirred_reactor.py`

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      <div class="sphx-glr-thumbnail-title">Jet-stirred reactor temperature and species profiles</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="In this example, we illustrate how to calculate the open circuit voltage (voltage when the external applied current is zero) for a lithium ion battery as a function of anode and cathode lithium content. The open circuit voltage here is calculated via two means: kinetically and thermodynamically.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_lithium_ion_battery_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_lithium_ion_battery.py`

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      <div class="sphx-glr-thumbnail-title">Lithium Ion Battery Discharge Curve</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="An example demonstrating how to use custom reaction objects.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_custom_reactions_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_custom_reactions.py`

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      <div class="sphx-glr-thumbnail-title">Custom reaction rates</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="A simple model of a solid oxide fuel cell.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_sofc_thumb.png
    :alt:

  :ref:`sphx_glr_examples_python_kinetics_sofc.py`

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      <div class="sphx-glr-thumbnail-title">Solid oxide fuel cell using elementary kinetics</div>
    </div>


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    <div class="sphx-glr-thumbcontainer" tooltip="This example uses ipywidgets to create interactive displays of reaction path diagrams from Cantera simulations.">

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  .. image:: /examples/python/kinetics/images/thumb/sphx_glr_interactive_path_diagram_thumb.svg
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  :ref:`sphx_glr_examples_python_kinetics_interactive_path_diagram.py`

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      <div class="sphx-glr-thumbnail-title">Interactive Reaction Path Diagrams</div>
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    </div>


.. toctree::
   :hidden:

   /examples/python/kinetics/reaction_path
   /examples/python/kinetics/diamond_cvd
   /examples/python/kinetics/shock_tube
   /examples/python/kinetics/extract_submechanism
   /examples/python/kinetics/mechanism_reduction
   /examples/python/kinetics/blowers_masel
   /examples/python/kinetics/jet_stirred_reactor
   /examples/python/kinetics/lithium_ion_battery
   /examples/python/kinetics/custom_reactions
   /examples/python/kinetics/sofc
   /examples/python/kinetics/interactive_path_diagram