Accelerated stochastic simulation of free radical polymerization through a hybrid algorithm

24 February 2025, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Stochastic Simulation Algorithms (SSA) are a cornerstone in simulating Free Radical Polymerization (FRP) due to their accuracy and reliability. However, computational inefficiency remains a challenge for large-scale and complex polymerization systems. This work introduces a novel stochastic simulation algorithm designed to significantly enhance computational efficiency while maintaining high accuracy. By streamlining simulation processes, the proposed algorithm reduces computational time and extends the scalability of stochastic methods. Beyond FRP, the algorithm is also applied to Degenerative Transfer (DT) systems as a demonstration of its versatility. These results showcase the algorithm's potential as a universal tool for accelerating stochastic simulations in polymer science, enabling deeper insights and broader applications across various polymerization processes.

Keywords

Monte Carlo Simulation
Stochastic Simulation Algorithm
Free Radical Polymerization

Supplementary materials

Title
Description
Actions
Title
Benchmark results
Description
This file contains benchmark results of SSA and new algorithms in Julia environment on FRP and DT systems. Each combination is tested 10 times.
Actions
Title
Partial Code
Description
This file is the simulation code of the new algorithm in FRP and DT systems
Actions

Comments

Comments are not moderated before they are posted, but they can be removed by the site moderators if they are found to be in contravention of our Commenting Policy [opens in a new tab] - please read this policy before you post. Comments should be used for scholarly discussion of the content in question. You can find more information about how to use the commenting feature here [opens in a new tab] .
This site is protected by reCAPTCHA and the Google Privacy Policy [opens in a new tab] and Terms of Service [opens in a new tab] apply.