Algorithms for the simulation of network models of the Yamamoto type

✍ Scribed by Peter Biller; Francesco Petruccione

• Publisher: Elsevier Science
• Year: 1990
• Tongue: English
• Weight: 612 KB
• Volume: 61
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/0010-4655(90)90042-y

✦ Synopsis

Concentrated polymer solutions and melts are usually simulated by molecular dynamics, Brownian dynamics or Monte Carlo methods. In this paper we describe another simulation approach. It is based on transient polymer network theories which can correctly describe the rheological behaviour. Due to a stochastic interpretation of the fundamental equations of these theories it is possible to formulate algorithms to simulate the dynamics of the network. Network models that cannot be treated analytically can then be studied. One of the algorithms presented here works with small discrete time steps. It can be applied to the most general models. For some simpler models it is possible to formulate a continuous-time algorithm which is generally more efficient.