Particle Aggregation
When the concentration of particles is high there is the possibility for them to collide and combine into larger particles. This is what we call aggregation, agglomeration or coagulation. The process can be described by the Smoluchowski coagulation equation
(3-176)
where v and Λ are particle volumes and K is the aggregation kernel. The equation only considers binary aggregation. The first right-hand side term describes the source (or birth) of new particles with a volume v that result from the aggregation of smaller particles with volumes of Λ and v-Λ. The second term describes the sink (or death) of particles with a volume v as they together with any other particle of a volume between 0 and infinity form a particle with a volume larger than v.
To get an equation that is compatible with the size-based formulation, we rewrite Equation 3-176 as (Ref. 1 and Ref. 7)
(3-177)
The volume of the two aggregating particles, Λ and v-Λ, have been replaced by the particle sizes λ and (L3-λ3)1/3. The discretized form of Equation 3-177 becomes
(3-178)
To ensure volume conservation on a discretized grid, the equation is rewritten to include weights as (Ref. 7 and Ref. 8)
(3-179)
where Kj,k is the aggregation kernel for two colliding particles belonging to intervals j and k and δij is the Kronecker delta defined as
(3-180)
Furthermore, the set Si contains all index combinations of j and k such that two particles of sizes Lmid,j and Lmid,k can form a larger particle with a size that lies within size interval i.
(3-181)
The index λi,j, in Equation 3-179, represents the interval that ensures that the two colliding particles from intervals i and j are included in the index pair set Sλi,j.
Note that with this size-based formulation of the coagulation equation, it is implicitly assumed that all three particles, the two colliding particles and the resulting particle, have the same shape. Or at least that the three sizes are selected such that when we calculate the volume of the particles using the same volume shape factor, the volume is conserved.