mpacts.contact.models.reactions. reactions

In order to be able to use this module import it like this:

import mpacts.contact.models.reactions.reactions
#or assign it to a shorter name
import mpacts.contact.models.reactions.reactions as rea

Bonding

Description: Contact model to calculate reaction probabilities between two particles. Geometry combinations available:

PC2 | PC1 - Sphere
Sphere YES

Bonding (Sphere Sphere)

Contact model to calculate reaction probabilities between two particles.

Parallel Compatible: Yes

Properties:

  • Required keywords:
    • R12 — Sum of microscopic interaction radii of reaction partners, in m
    • diffusivity1 — Diffusivity reaction partner 1, in m^2/s
    • diffusivity2 — Diffusivity reaction partner 2, in m^2/s
    • k_macro — Microscopic reaction rate, in m^3/s
    • pc1 — The first particle container in the binary contact detection.
    • pc2 — The second particle container in the binary contact detection. If contact detection within the same particle container is desired, and it is applicable for the contactmodel, pass the same pc to both pc1 and pc2.

This contact model is composed out of following pieces (click on the chain elements to get more information):

DefaultBoilerPlateSphere0_2_DataSphere0_1_DataSphere_SphereMolecularReactionsFeedback