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

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 Area	FP5-GROWTH-1999, Cross-cutting generic materials technologies
Project Type	RTD
Contract Number	G5RD-CT-2000-00200
Co-ordinator	Helmholtz Zentrum Hereon (DE)

Total Eligible Costs (€)	Hereon Eligible Costs (€)	EC Funding for Hereon (€)
2.231.817	719.600

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

Participants

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

Last Update: 10. January 2022