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Coagulation Fragmentation and Sectional Population Balance Numerics — Examples

1 · Prerequisites

2 · Summary

Summary

These worked examples calculate constant-kernel number decay with conserved mass, a concrete barycentric pivot split, a binary fragmentation event, and an above-cutoff event routed to the reported reservoir. The final counterexample combines the explicit product-kernel pre-gelation moment formula with mass-one finite-grid states to show why finite-grid mass conservation cannot supply a uniform continuum second-moment bound.

3 · Logical flowchart

4 · Definitions, theorems and proofs

None yet.

5 · Examples, counterexamples and false statements

ExampleConstruction: AI-adaptedVerification: AI-generatedOpen item page →

A binary split preserves first moment and increases number by one

Statement

For a parent of size 5a, let its expected daughters be one cluster of size 2a and one of size 3a. The event removes one parent and adds two daughters, so number increases by one and mass is unchanged.

Facts & Assumptions

Given: The finite fragmentation event convention with daughter counts b5(2)=b5(3)=1 and all other b5(k)=0.

[F1]

Finite discrete coagulation and fragmentation with a mass reservoir: one fragmentation event has increment −ei+∑k<ibi(k)ek and requires ∑k<ikbi(k)=i.

[F2]

Stoichiometric number and mass changes for finite coagulation and fragmentation events: a fragmentation event changes number by ∑bi(k)−1 and mass by zero.

Proof

1.1givenF1algebra

The daughter mass sum is 2a+3a=5a, so this daughter law satisfies the required parent-mass normalization in [F1].

2.1givenF2step 1.1algebra∎

Its number increment is 1+1−1=1. Its mass increment is −5a+2a+3a=0, agreeing with [F2].

ExampleConstruction: AI-adaptedVerification: AI-generatedOpen item page →

Constant-kernel aggregation conserves mass and has explicit number decay

Statement

Let μt be any positive weak solution of the continuous model with constant aggregation kernel K(x,y)=κ≥0 and no active fragmentation (β=0). If N0=M0(μ0) and M=M1(μ0), then M1(μt)=M,M0(μt)=N01+κN0t/2.

Facts & Assumptions

Given: The weak formulation for a positive solution and the choices φ=1,x.

[F1]

Continuous-size coagulation-fragmentation weak model: coagulation has ordered-pair factor 1/2, while fragmentation vanishes when β=0.

Proof

1.1givenF1algebra

With φ(x)=x, the coagulation increment is (x+y)−x−y=0. The integral equation therefore gives M1(μt)=M on the solution interval.

2.1givenF1step 1.1algebra∎

With φ=1, the increment is 1−1−1=−1, so N′(t)=−κN(t)2/2. If N0>0, then on every interval where N>0, differentiating 1/N(t) gives (1/N)′=κ/2, hence N(t)=N0/(1+κN0t/2). This expression is positive at every finite t≥0, so continuity precludes a first finite zero and the formula holds throughout the solution interval. If N0=0, positivity gives N(t)≥0 and the differential equation gives N′(t)≤0, so N(t)=0, again the formula.

ExampleConstruction: AI-adaptedVerification: AI-generatedOpen item page →

A product between pivots is split without changing number or mass

Statement

On the grid (1,2,4), the product size z=3 is replaced by PΔ(3)=12δ2+12δ4. It remains one particle in expectation, has mass 3, and its second moment is 10, an excess of 1 over z2=9.

Facts & Assumptions

Given: The fixed-pivot rule on a grid containing adjacent nodes 2 and 4.

[F1]

Conservative fixed-pivot redistribution on a finite positive grid: at z∈[xi,xi+1], the pivot weights are (xi+1−z)/(xi+1−xi) and (z−xi)/(xi+1−xi).

[F2]

Fixed-pivot weights are nonnegative and reproduce number and mass: the weights sum to one and reproduce first moment z.

Proof

1.1givenF1algebra

Substituting xi=2, xi+1=4, and z=3 in [F1] gives both weights equal to (4−3)/(4−2)=1/2. Thus the replacement is exactly 12δ2+12δ4.

2.1F2step 1.1algebra∎

The weights sum to 1, their weighted mass is (2+4)/2=3, and their weighted second moment is (22+42)/2=10. Hence the number and mass statements agree with [F2], and the second-moment excess is 10−32=1.

CounterexampleConstruction: AI-adaptedVerification: AI-generatedOpen item page →

Finite-grid mass conservation does not bound the product-kernel continuum second moment

Statement

For every cutoff N, the finite state nN=1/N at the sole occupied size N has mass 1 and second moment N. Hence finite-grid mass conservation alone yields no second-moment bound uniform in the cutoff. Separately, the infinite product-kernel solution from The discrete product-kernel solution has finite-time second-moment blow-up has conserved first moment 1 but M2(t)=1/(1−t)→∞ as t↑1. Thus finite-grid augmented-mass conservation does not prove a global continuum second-moment estimate or rule out gelation for a superlinear kernel.

Facts & Assumptions

Given: The finite sectional mass identity and the product-kernel pre-gelation solution.

[F1]

Finite sectional event dynamics preserve positivity and retained-plus-reservoir mass: finite sectional event dynamics conserve retained-plus-reservoir mass exactly.

[F2]

The discrete product-kernel solution has finite-time second-moment blow-up: for the product kernel, M1(t)=1 and M2(t)=1/(1−t) on 0≤t<1.

Proof

1.1givenF1algebra

On a grid with top pivot N, the state with nN=1/N and all other retained coordinates zero has first moment N(1/N)=1 and second moment N2(1/N)=N. Its reservoir may be zero, so the conserved augmented mass is 1. As N increases these admissible mass-one states have unbounded second moment, proving the finite mass identity alone gives no cutoff-independent moment bound.

2.1givenF2algebra∎

The continuum product-kernel solution in [F2] has M2(t)=1/(1−t), which diverges at the finite time 1 while its first moment remains 1. The kernel K(x,y)=xy is superlinear and unbounded, outside the bounded-kernel global theorem's hypotheses; therefore this example warns against inferring continuum mass-conserving global moment control from finite-grid conservation.

Remark

Laurençot's full-text lecture notes separately state a post-gel mass-loss theorem for nontrivial weak solutions with K(x,y)≥κ(xy)λ/2, λ∈(1,2], under the solution hypotheses there (Theorem 3.13, §3.3); that source result is contextual and is not used to prove the pre-gelation formula here. Kumar's dissertation reports fixed-pivot moment deviations from analytical product-kernel comparisons near gelation in its numerical examples (Chapter 3, §3.2.2); this is a numerical warning, not a substitute for the local proof above. (Laurençot, §§3.3; Kumar, Chapter 3)

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An above-cutoff product moves mass into the reported reservoir

Statement

On a grid ending at cutoff R=4, an aggregation event between two particles of mass 2 has product mass 4 and stays in range, while an event between masses 2 and 3 has product mass 5>R and removes retained mass 5 while adding reservoir mass 5.

Facts & Assumptions

Given: A finite sectional grid containing pivots 2,3,4 and the reported-overflow rule.

[F1]

Finite sectional coagulation-fragmentation balance with reported overflow: when xi+xj>R, both parents are removed and the sum of their masses is added to L.

[F2]

Proof

1.1givenF1algebra

For masses 2 and 3, their sum is 5, which exceeds R=4. The rule [F1] therefore consumes masses 2+3 and increments the reservoir by 5.

2.1F1F2step 1.1algebra∎

The retained mass change is −(2+3)=−5 and the reservoir change is +5, so augmented mass change is zero, as asserted in [F2]. This reservoir entry has no later fragmentation dynamics under [F1].

Sources