| title: | Modelling ion and proton conducting polymer materials |
|---|---|
| reg no: | ETF6763 |
| project type: | Estonian Science Foundation research grant |
| subject: |
1.3. Physics 1.6. Physical, Analytical and Inorganic Chemistry 2.2. Materials Science |
| status: | accepted |
| institution: | Tartu University Institute of Technology |
| head of project: | Alvo Aabloo |
| duration: | 01.01.2006 - 31.12.2009 |
| description: | Polymers are today finding ever more applications in modern technologies. This is especially true for electrochemically active polymers. It is therefore essential that we should understand how these materials function in applications at a basic level, so that we can develop their properties further. This is well illustrated by a family of proton conducting polymers which are currently finding application in low-temperature Polymer Electrolyte Membrane and Direct Methanol Fuel Cells (PEMFC:s and DMFC:s), and in Ionic Polymer Metal Composite (IPMC) for artificial muscles (so-called Electro-Active Polymers, EAP:s), and in ion conducting polymer electrolytes for polymer-ion batteries. During current project we apply molecular dynamics (MD) technique to study local structural and dynamical properties of DMFC ja IPMC polymer materials and their conduction mechanisms. We develop and enhance simulation models and force fields to explain more precisely the basics of macroscopic properties. We will create more powerful material simulation tool by combining MD with Finite Element Simulation method for IPMC modelling. Together with experimental scientists we try to predict and find more advanced polymer materials for EAP and DMFC. |
| project group | ||||
|---|---|---|---|---|
| no | name | institution | position | |
| 1. | Alvo Aabloo | Tartu Ülikooli Tehnoloogiainstituut | ||
| 2. | Daniel Brandell | |||
| 3. | Jaanus Karo | |||
| 4. | Heiki Kasemägi | |||
| 5. | Maarja Kruusmaa | |||
| 6. | Anti Liivat | |||