Molecular based approach to the simulation of polymer fluid flows in processing operations

• Research unit: EU RFP
• Project number: 95.0299

Key words (English)

Polymer processing; polymer melt flow; molecular structure; theology; computational fluid dynamics; CONNFFESSIT

Alternative project number (English)

EU project number: BRPR-CT96-145

Research programs (English)

EU-programme: 4. Frame Research Programme - 2.1 Industrial and materials technologies

Short description (English)

See abstract

Partners and International Organizations (English)

UP Madrid, Dow Benelux NV, REPSOL Madrid, Shell The Hague, ARGO Koropi, ICE/HT-FORTH Patras, Uni Louvain, TU Delft

Abstract (English)

IIndustries in the petrochemical and plastic transformation sectors face the challenge of predicting:
the rheological behaviour of existing or new polymers based on their molecular structure
the flow behaviour of complex polymeric systems in processing equipment.

There exist nowadays several software packages that allow the prediction of mechanical and some rheological properties of a polymer given its (microscopic) molecular structure, and simulation of the (macroscopic) flow of polymeric fluids. These two types of tools deal with processes which are separated by a huge gap in characteristic time scales and length scales. Currently, there is however no software package able to bridge this gap of many orders of magnitude.

The present project aimed at developing a design tool that will be able to calculate macroscopic flow of polymeric systems described by constitutive equations of almost arbitrary complexity in realistic geometries.

The group at the ETH has produced new stochastic dynamic models for integral constitutive equations. These models are a generalization of standard network models. They prove to be especially useful in combination with variance reduction methods. By combining these models with the ideas of reptation models and with the principles of nonequilibrium thermodynamics, a realistic description of polymer melts has been obtained.

References in databases (English)

Swiss Database: Euro-DB of the
State Secretariat for Education and Research
Hallwylstrasse 4
CH-3003 Berne, Switzerland
Tel. [phone]
Swiss Project-Number: 95.0299