.. _sphx_glr_api_gallery_kinetics_rate_theory:

Rate theory
-----------

Predicting a rate constant from molecular properties: hard-sphere
collision theory, Smoluchowski's diffusion-controlled encounter rate, and
Eyring's transition-state theory.


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    <div class="sphx-glr-thumbcontainer" tooltip="Trautz (1916) and Lewis (1918) computed a gas-phase rate constant as the number of collisions per unit time times the Boltzmann fraction with enough energy,">

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  .. image:: /api/gallery/kinetics/rate_theory/images/thumb/sphx_glr_plot_01_collision_theory_thumb.png
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  :doc:`/api/gallery/kinetics/rate_theory/plot_01_collision_theory`

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      <div class="sphx-glr-thumbnail-title">Trautz-Lewis collision theory: rate constants from molecular collisions</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Smoluchowski (1917) asked how fast two species meet if they react on first contact, so that diffusion alone limits the rate. Solving the diffusion equation around one reactant gives">

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  .. image:: /api/gallery/kinetics/rate_theory/images/thumb/sphx_glr_plot_02_smoluchowski_diffusion_limit_thumb.png
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  :doc:`/api/gallery/kinetics/rate_theory/plot_02_smoluchowski_diffusion_limit`

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      <div class="sphx-glr-thumbnail-title">Smoluchowski's diffusion-limited reaction rate</div>
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    <div class="sphx-glr-thumbcontainer" tooltip="Transition-state theory (Eyring; Evans and Polanyi, 1935) writes a rate constant as a universal frequency times an equilibrium constant for forming the activated complex,">

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  .. image:: /api/gallery/kinetics/rate_theory/images/thumb/sphx_glr_plot_03_eyring_transition_state_thumb.png
    :alt:

  :doc:`/api/gallery/kinetics/rate_theory/plot_03_eyring_transition_state`

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      <div class="sphx-glr-thumbnail-title">Eyring's transition-state theory: activation enthalpy and entropy</div>
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.. toctree::
   :hidden:

   /api/gallery/kinetics/rate_theory/plot_01_collision_theory
   /api/gallery/kinetics/rate_theory/plot_02_smoluchowski_diffusion_limit
   /api/gallery/kinetics/rate_theory/plot_03_eyring_transition_state