✦ LIBER ✦

Multiscale Modeling of Branch Length in Butyl Acrylate Solution Polymerization: Molecular Versus Continuum Kinetics

✍ Scribed by Jonathan A. Rawlston; Francis Joseph Schork; Martha A. Grover

Publisher: John Wiley and Sons
Year: 2011
Tongue: English
Weight: 475 KB
Volume: 20
Category: Article
ISSN: 1022-1344
DOI: 10.1002/mats.201000094

No coin nor oath required. For personal study only.

✦ Synopsis

Abstract

A well‐mixed kinetic Monte Carlo (KMC) simulation is used to examine branch formation by both backbiting and intermolecular chain transfer to polymer in the solution polymerization of butyl acrylate. The results of the KMC simulations are compared to those of a rate‐equation simulation based on ordinary differential equations. The rate‐equation simulation is modified based on insight gained from the KMC simulation. While the KMC simulation requires significantly more computational time, its high resolution is advantageous when studying the branching topology of individual molecules. magnified image

📜 SIMILAR VOLUMES

Multiscale Modeling of Branch Length in

Multiscale Modeling of Branch Length in Butyl Acrylate Solution Polymerization

✍ Jonathan A. Rawlston; Francis Joseph Schork; Martha A. Grover 📂 Article 📅 2010 🏛 John Wiley and Sons 🌐 English ⚖ 365 KB

## Abstract Branch lengths resulting from both backbiting and intermolecular chain transfer to polymer are examined for the solution polymerization of butyl acrylate, using a rate‐equation model and ordinary differential equations. Backbiting is allowed to generate branches of varying length, accor