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(funded by NATO Science for Peace program and Greek Secretariat of Research and Technology, 1999 - 2003)
Dr. Ioannis G. Economou, Dr. Vasilios E. Raptis, Dr. Vasilios S. Melissas
Polymeric membranes are used widely in separation devices for various industrial processes. In this project, the aim is to develop stable membranes for the separation of light and heavy hydrocarbons in natural and petroleum gas. Existing polysiloxanes are inadequate for such separations due to stability problems. Molecular dynamics is used to study the structure, thermodynamic and transport properties of novel silicon-based polymers. Furthermore, diffusion coefficients and solubilities of light hydrocarbons are calculated. Simulation work is supported by experimental measurements performed at the Russian Academy of Sciences. |
Selected publications
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- V.E. Raptis, I.G. Economou,
D.N. Theodorou, J. Petrou and J.H. Petropoulos, "Molecular Dynamics Simulation
of Structure and Thermodynamic Properties of Poly (dimethyl-silamethylene) and
Hydrocarbon Solubility Therein: Towards the Development of Novel Membrane
Materials for Hydrocarbon Separation", Macromolecules, 37(3),
1102-1112 (2004).
- I.G. Economou, V.E. Raptis,
V.S. Melissas, D.N. Theodorou, J. Petrou and J.H. Petropoulos, “Molecular
Simulation of Structure, Thermodynamic and Transport Properties of Polymeric
Membrane Materials for Hydrocarbon Separation”, Fluid Phase Equil., 228-229,
15 – 20 (2005).
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