Formal Reaction Kinetics Seminar: Rebeka Szabó, 2023.10.31.

webinar

The lecture of Rebeka Szabó (University of Pécs) entitled "Final nanoparticle size distribution under unusual parameter regimes" will be presented in the Formal Reaction Kinetics Seminar series organized by BME. The presentation will be online on Tuesday, October 31, 2023 at 5:15 p.m.

Enrico Bibbona, Daniele Cappelletti, Paola Siri, Elena Sabbioni, Rebeka SZABÓ, Gábor Lente:

Final nanoparticle size distribution under unusual parameter regimes

Abstract:

A kinetic model of nanoparticle formation is examined, where the first step is called nucleation, in which some monomer units (n) come together to form a nucleus. This nucleus can then grow incrementally by adding one monomer unit at a time to the nanoparticle, with the exclusion of the aggregation and any reversible reactions. Let γ denote the rate constant of the growth process and ν the rate constant of nucleation. It is well-known that when γ ~ O(1/N), and ν ~ O(1/N(n-1)), the stochastic model converges to the solution of the Becker-Döring equations, and the final size distributions of the stochastic model can be approximated by using Lifshitz-Slyozov-Wagner’s theory. We are investigating another parameter regime where the process appears to exhibit an interesting final size distribution that we are attempting to characterize. So far, a simulation study is conducted first by using the exact Gillespie algorithm, then it is compared with some sophisticated versions of the tau-leap method. The results will be carefully analyzed.

You can join the event at the following link:

https://us06web.zoom.us/j/83343838206?pwd=pqce0aaWvYXm2IEx7wPIGj1Pa9BQqd.1