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Molecular Thermodynamics and Modelling of Materials Laboratory (MTMML)
Institute of Physical Chemistry,  National Center for Scientific Research "Demokritos"
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Phase Equilibrium of Water-Soluble Polymers with Molecular Simulation Techniques

 

 


Dr. Ioannis G. Economou, Dr. Efthimia Tritopoulou

Water-soluble polymers have numerous chemical and biological applications. Poly(ethylene glycol) belongs in this category of polymers. This polymer is widely used in several areas of chemical technology, medicine and biological sciences. Several PEG-based technologies have now appeared as commercial therapeutic, research, and diagnostic products. Research in PEG applications is escalating, and is driven primarily by the many useful properties of the polymer.

Our scope is to study the influence of the chemical structure and the molecular architecture on the structure and the thermodynamic properties of poly(ethylene glycol) both in melt state and in aqueous environment. For this purpose Monte Carlo simulation will be performed using chain molecule techniques.

 Selected publications


 E.A. Tritopoulou and I.G. Economou, “Molecular Simulation of Structure and Thermodynamic Properties of Pure Tri- and Tetra-Ethylene Glycols and Their Aqueous Mixtures”, Fluid Phase Equil., 248(2), 134 – 146 (2006).


 


 

 


 


 


 


Molecular Thermodynamics and Modelling of Materials Laboratory (MTMML)
Institute of Physical Chemistry,  National Center for Scientific Research "Demokritos" ,  Aghia Paraskevi, 15310 Greece