Simulation of Interdiffusion in Between Compartments Having Heterogenously Distributed Donors and Acceptors

TL;DR

This study simulates the final stage of latex film formation by modeling interdiffusion of donors and acceptors in compartments with various distributions using Monte Carlo methods, analyzing energy transfer decay profiles.

Contribution

It introduces a Monte Carlo simulation approach to study interdiffusion and energy transfer in heterogeneous and homogeneous donor-acceptor systems during latex film formation.

Findings

Decay curves fitted to phenomenological equations for fractional mixing

Gaussian noise added for realistic decay profiles

Discussion on Fickian diffusion model reliability

Abstract

The final stage of latex film formation was simulated by introducing donors and acceptors into the adjacent compartments of a cube. Homogenous and/or heterogeneous donor-acceptor distributions were chosen for different types of simulations. The interdiffusion of the donors and the acceptors within these cubes was generated using the Monte-Carlo technique. The decay of the donor intensity I(t) by direct energy transfer (DET) was simulated for several interdiffusion steps. Gaussian noise was added to the I(t) curves to obtain more realistic decay profiles. I(t) decay curves were fitted to the phenomenological equation to calculate the fractional mixing at each interdiffusion step. The reliability of the Fickian diffusion model in the case of heterogenous and homogeneous donor-acceptor distributions are discussed for latex film formation.