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PROJECT 01-0172
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Dynamic processes in amorphous glassy polymers and their effect on gas transport: theoretical, experimental and simulation studies
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June,1 2002 – May 31, 2005
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Co-ordinator - Doctor Damian Mooney
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The main goal of this Project is to study a influence
of chemical structure of the polymer unit on the gas transport parameters
by the methods of the conformational analysis, method Monte Carlo and molecular-dynamic method. The main
objectives of the project are:
- To develop and analyze new
correlations between conformational rigidity parameters (CRP),
small-scale mobility parameters (SSMP) and transport properties of
glassy polymers as well as other physicochemical properties.
- On the basis of the correlations, to
formulate the desired design of glassy homo-polymers and copolymers
that would provide improved permselective
characteristics.
- To prepare novel corresponding glassy
polymers and study their gas permeation properties.
- To find relations between CRP and
small-scale mobility parameters (SSMP) of new polymers by the
conformational probe method.
- To investigate dynamic processes in
the polymer-gas system by molecular simulation techniques and compare
the simulation data with experimental and theoretical data.
- To refine correlations between CRP,
SSMP and the transport parameters of glassy polymers on the basis of
obtained experimental and simulation data and improve the methods of
search for advanced membrane materials using CRP and SSMP as input
parameters.
- To develop a novel unified
approach for description of gas transport in glassy polymers, which
would combine the free volume model and transition state theory since
the parameters of both should be related to
conformational mobility of glassy polymer chains.
The
compulsory important part of the Project is the examination of the
developed polymeric materials in gas tranport.
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 five research teams (two from
INTAS members, three from Russia) with
complementary expertise will be involved in the project. Theoretical and
simulation methods
will be used for study of gas transport of glassy polymers . Theoretical
investigations will be supported by the experimental studies.
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Dr Damian Mooney
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Queen's
University Belfast, School of Chemical Engineering, Belfast, United
Kingdom
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Professor Maria Bruma
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Academia
Romania, Institute of Macromolecular Chemistry, Iasi, Romania
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Professor
Alexei Khokhlov
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Chair of Polymer and
Crystal Physics,
Physics Department, Moscow State University
Moscow, RUSSIA
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Professor
Yuri
Yampolskii
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Laboratory of
Membrane gas Separation
The Russian Academy of
Sciences,
Institute if Petrochemical
Synthesis, Moscow, Russia
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Professor
Alexander Remisov
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Chair of Chemical Technology
Kazan State Thechnological University,
Departament of Oil and Oil
Chemistry, Kazan, Russia
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