Skip to content

Latest commit

 

History

History
108 lines (69 loc) · 3.1 KB

File metadata and controls

108 lines (69 loc) · 3.1 KB

Bimolecular Reactions

Tutorial Overview

This tutorial will define a single bimolecular reaction.

Initial Configuration

This tutorial builds upon what was done in :ref:`unimol_reactions`. Either complete that tutorial yourself or use the unimol_reactions.blend file to get started.

Save the File with a New Name in Your Working Directory

  • Select File > Save As...
  • Change add_meshgeom.blend to bimol_reactions.blend
  • Click Save As Blender File button

Define a New Molecule Type

  • Click the Molecules button

./images/shared/button_panels/molecules_panel_h.png

  • Click the "plus" sign (+) to the right of the Defined Molecules box
  • Click in the Molecule Name field, type the letter b and press the Enter key
  • Click in the Diffusion Constant box, type 1e-6 and press the Enter key

./images/bimol_reactions/define_b.png

Release "b" Molecules into the Simulation

  • Click the Molecule Placement button

./images/shared/button_panels/release_placement_panel_h.png

  • Click the "plus" sign (+) to the right of the Release/Placement Sites box
  • Click in the Molecule field, type b and hit enter
  • Change Release Shape to Object/Region
  • Type Icosphere in the Object/Region field
  • Click in the Quantity to Release field and set it to 1000

./images/bimol_reactions/release_site2.png

Define a Bimolecular Reaction

  • Click the Reactions button.

./images/shared/button_panels/reactions_panel_h.png

  • Change the Reactants text field from a to a + b
  • Type 1e8 in the Forward Rates text field

./images/bimol_reactions/change_reaction.png

Simulate the Model

  • Click the Run Simulation button

./images/shared/button_panels/run_panel_h.png

  • Change the Time Step to 1e-5
  • Click the Export & Run button

./images/single_molecule/run_sim.png

  • Wait for the simulation to complete
  • Press the "Reload Visualization Data" button to load the results of the simulation.

./images/shared/button_panels/reload_viz_h.png

Change the Shape of "b"

  • Click the Molecules button

./images/shared/button_panels/molecules_panel_h.png

  • Open the Display Options subpanel if it isn't already
  • Change the Sphere_1 to Cube
  • Change the Scale to 2.5
  • Change the color to a bright red

View the Results

  • Press the "Play" (play) button below the time line

Save Your File

  • File > Save