dissociativeIonization

Dissociative Ionization

Works with a VSimPD license. Collision of the form

\[AB + e \rightarrow A^+ + B + e + e\]

or

\[AB + e \rightarrow A^+ + B^+ + e + e + e\]

A generator of 4 product particles, two atoms that have been dissociated and two electrons: one that impacted to cause the ionization and other from the ionization caused the dissociation. Double ionization is achieved by including a third electron product and a second ionized atom in a the Reactants and Product vectors in the RxnProcess Block

Any RxnProcess Block block which points to a productGenerator of kind = dissociativeIonization should have the Reactants and Products in the order

reactants = [AB electron]
products = [ionizedA (ionized)B electron electron (electron)]

dissociativeIonization Attributes

dissociationEnergy(float, required)

The energy required to dissociate the molecule, in eV. This value also sets a threshold for whether or not the reaction will occur. So a pair of particle will need at least this much relative energy (i.e. energy in center of momentum frame) in order to react. This can be set as a negative value to have the products gain kinetic energy.

randomSeed (int, optional, default: random int)

Manually set a random seed used to determine the final velocities of the product particles.

The default is to choose a random seed at run time. To produce identical simulations, advanced users may want to manually set a seed. It is recommended not to include this parameter so that a different random number will be generated for each run.

Example dissociativeIonization Block

<RxnProductGenerator productGenerator>
  kind = dissociativeIonization
  dissociationEnergy = 1.0
  #randomSeed = 499
</RxnProductGenerator>