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Molecular modelling for the competitive molecular design of polymer materials with controlled permeability properties


Project timeline
March 2000
46 months
December 2003
General Information
Materials with precisely controlled permeability properties are very important to solve a wide scale of separation problems in chemical industry, environmental protection, biomedicine and biotechnology. Developing such materials based on experimentation and correlative thinking alone is unreliable, time consuming and expensive. Molecular modelling offers a very attractive alternative, but its techniques need to be further developed and validated by application to complex systems of technological interest. With the computer-aided materials design approaches that will be developed in the course of the project, it will be possible not only to optimise materials selection for existing applications, but also to think about new membrane-based processes of chemical synthesis, separation and controlled delivery that will be more economical, energy-saving and environmentally friendly than existing ones.
EU-Programme Acronym and Subprogramme AreaFP5-GROWTH-1999, Cross-cutting generic materials technologies
Project TypeRTD
Contract NumberG5RD-CT-2000-00200
Co-ordinatorHelmholtz Zentrum Hereon (DE)
Total Eligible Costs (€) Hereon Eligible Costs (€) EC Funding for Hereon (€)
Contact Person at Hereon Dr. Laura Schwabe, Research Funding Department, phone: +49 (0)4152 87-1670, (initial contact: Dr. Dieter Hofmann, Institute of Polymer Research)
E-mail contact
Worldwide Europe

L'Air Liquide S.A. (FR), Molecular Simulations Ltd (UK), National Centre for Scientific Research "Demokritos" (GR)

(completed December 2003)

Last Update: 10. January 2022