19.4.2. Implementation for Method of Moments

Assuming spherical particles, equation Equation 19–50 can be written as

(19–54)

where

(19–55)

and is the Boltzmann constant.

Following Method II proposed by Frenklach and Harris[135], the coagulation effect on the r -th size moment is defined as

(19–56)

where

(19–57)

Or, by lumping all the terms inside the summation, the coagulation terms for the r -th moment can be rewritten as

(19–58)

where

(19–59)

Note that by definition the function is symmetric, that is, . The summations in can be resolved in terms of the particle size moments, whole and fractional, positive and negative as

(19–60)

where

(19–61)

The whole-order positive moments are obtained by solving their own transport equations, that is, the equations of size moments. The fractional-order positive moments are determined by logarithmic interpolation between the whole positive moments, that is,

.

The fractional-order negative moments, on the other hand, are computed by logarithmic extrapolation from the whole positive moments

Derivation and evaluation of and are described in detail in references[134], [135]. The final forms of the free-molecular coagulation source terms for the equations of moments are

(19–62)

(19–63)

and

(19–64)

With an assumption of a spherical particle, the collision kernel for the continuum regime as given by Equation 19–51 can be written in terms of particle class i and j. Additionally, while retaining the Cunningham slip correction factor [144], the following expression is written.

(19–65)

The slip correction factor is written as = = 1 += Kn. The source terms for the moments equations for collisions in the continuum regime then become

(19–66)

Details of the derivation of coagulation source terms in the continuum regime can be found in the paper by Kazakov and Frenklach[144] .

As mentioned earlier, the collision frequency in the transition regime is approximated by the harmonic mean of the two limiting values[145].

(19–67)

Note that G 1 is always zero. That is, the total number of bulk species molecules in particles (or total particle mass) is not affected by coagulation although the total number of particles decreases.