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Micro-scale Polymer Processing 2:
Multiscale Modelling of Entangled Polymers
Polymer Processing in the 21st
century?
  Reaction Chemistry




           Molecular shape




                       Melt Rheology




                             “Good processing”
The Scaffold Concept

     INDUSTRY

                      Solid state                 Materials testing
      Properties      Modelling




                                                 Model Processing
                                                    Flow Rig

      Processing   Flow computation
                                                                       Molecular Configuration
                                                                               Probes



                                               Advanced Rheological
                                                 Characterisation


      Rheology     Molecular Theory



                                      Polymer characterisation


     Synthesis
                       Synthesis                            Scale up
The Principle

• “Follow the
  processing path of       Solid state                 Materials testing
  well characterised       Modelling


  polymers from
  synthesis through                                    Model Processing
                                                          Flow Rig
  processing and        Flow computation
                                                                            Molecular Configuration
  property evaluation                                                               Probes


  combined with the                                  Advanced Rheological
                                                       Characterisation
  parallel
  development of a      Molecular Theory


  mathematical and                         Polymer characterisation

  computational             Synthesis                            Scale up
  protocol.”
The μPP2 Structure

   A Matrix approach to Industrial demand and technical opportunity

Platform V: Solid State Properties


Platform IV: Flow Visualisation


Platform III: Experimental Probes

Platform II: Theoretical Molecular Modelling


Platform I: Synthesis and Characterisation


                                                             Stm2: TOOLBOX   Stm3: 2-PHASE
                                             Stm1: CRYSTAL
The μPP2 Management




     + Special task groups:
     • Rheology team
     • Synthesis team
     • Solid State team
     • Flow solving software team
     • PDRA conference
The μPP2 in numbers
                ~ £5 000 000 (EPSRC)
Funding
                ~ £500 000 (Industrial Partners – membership fee)
                4 years (2006 – 2009)
Duration

Organisations 8 UK and European Universities
                8 Chemical and Polymer Industries
                24 Academic Faculty and Staff Members
Academic
participants    26 Postdoctoral and Research Associates
                           Synthesis                   and Experimental
                •Polymer                  •Theoretical
Areas of
                                          Rheology and Polymer
Interest        •Multi-phase systems
                                          Processing
                •Crystallizing Polymers
                                          •Scattering Methods and Optical
                •Software development
                                          Visualization
                •Knowledge Transfer
                •Solid State Properties
The Academic Team
    Tom McLeish, Peter Olmsted, Oliver Harlen, Peter Hine, Peter
    Jimack, Alexei Likhtman, Daniel Read, Rozen Tenchev, Mark
    Walkley, John Embery, Jorge Ramirez, Chinmay Das, Richard
    Graham, Harley Klein, Dietmar Auhl, Kamakshi Jagannathan, Manlio
    Tassieri, Suneel Kunamaneni, Michael Kapnistos, Frederico
    Roschzttardtz, Ahamadi Malidi.
    Malcolm Mackley, David Hassell, Simon Butler, Moises Garcia-
    Morales, Tim Lord
    Paul Buckley, Huaxiang Li , Davide de Focatiis

    Lian Hutchins, Nigel Clarke, Eduardo de Luca, Solomon Kumani,
    Jonathan Dodds
    Tony Ryan, Ellen Heeley, Patrick Fairclough, Ron Young, Christine
    Fernyhough, Sasha Mykhaylyk, Pierre Chambon
    Phil Coates, Tim Gough, Fin Caton-Rose

    Han Meijer, Leon Govaert, Gerit Peters, Rudi Steenbakkers

    Helen Wilson, Mehmet Sahin
The Past & Future of Polymer R&D




         Z Tadmor, Workshop : Touchstones of modern polymer processing, 2002
Knowledge Transfer Role

• Liaison between Academia and Industry.
• Investigate feasibility of suggested projects within μPP
  framework. Identify goals of project.
• Identify people, expertise and resources to be put
  together and have the job done.
• Follow the progress and provide timeframes within the
  projects should be deliverable.
• Ensure confidentiality of research and data and
  knowledge exchange.
Final Notes
                                                       business
•Gap exists between polymer science
and processing & performance.

•Advances in molecular rheology can          science          technology
integrate business needs with scientific
expertise and technology.

•A strategic project has to be established
for a thriving relationship between
university and industry to drive
innovations.

•For project ideas to succeed both
technically and economically, we have to
work with other businesses in the
product life cycle.

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M.KapnistosFORTH

  • 1. Micro-scale Polymer Processing 2: Multiscale Modelling of Entangled Polymers
  • 2. Polymer Processing in the 21st century? Reaction Chemistry Molecular shape Melt Rheology “Good processing”
  • 3. The Scaffold Concept INDUSTRY Solid state Materials testing Properties Modelling Model Processing Flow Rig Processing Flow computation Molecular Configuration Probes Advanced Rheological Characterisation Rheology Molecular Theory Polymer characterisation Synthesis Synthesis Scale up
  • 4. The Principle • “Follow the processing path of Solid state Materials testing well characterised Modelling polymers from synthesis through Model Processing Flow Rig processing and Flow computation Molecular Configuration property evaluation Probes combined with the Advanced Rheological Characterisation parallel development of a Molecular Theory mathematical and Polymer characterisation computational Synthesis Scale up protocol.”
  • 5. The μPP2 Structure A Matrix approach to Industrial demand and technical opportunity Platform V: Solid State Properties Platform IV: Flow Visualisation Platform III: Experimental Probes Platform II: Theoretical Molecular Modelling Platform I: Synthesis and Characterisation Stm2: TOOLBOX Stm3: 2-PHASE Stm1: CRYSTAL
  • 6. The μPP2 Management + Special task groups: • Rheology team • Synthesis team • Solid State team • Flow solving software team • PDRA conference
  • 7. The μPP2 in numbers ~ £5 000 000 (EPSRC) Funding ~ £500 000 (Industrial Partners – membership fee) 4 years (2006 – 2009) Duration Organisations 8 UK and European Universities 8 Chemical and Polymer Industries 24 Academic Faculty and Staff Members Academic participants 26 Postdoctoral and Research Associates Synthesis and Experimental •Polymer •Theoretical Areas of Rheology and Polymer Interest •Multi-phase systems Processing •Crystallizing Polymers •Scattering Methods and Optical •Software development Visualization •Knowledge Transfer •Solid State Properties
  • 8. The Academic Team Tom McLeish, Peter Olmsted, Oliver Harlen, Peter Hine, Peter Jimack, Alexei Likhtman, Daniel Read, Rozen Tenchev, Mark Walkley, John Embery, Jorge Ramirez, Chinmay Das, Richard Graham, Harley Klein, Dietmar Auhl, Kamakshi Jagannathan, Manlio Tassieri, Suneel Kunamaneni, Michael Kapnistos, Frederico Roschzttardtz, Ahamadi Malidi. Malcolm Mackley, David Hassell, Simon Butler, Moises Garcia- Morales, Tim Lord Paul Buckley, Huaxiang Li , Davide de Focatiis Lian Hutchins, Nigel Clarke, Eduardo de Luca, Solomon Kumani, Jonathan Dodds Tony Ryan, Ellen Heeley, Patrick Fairclough, Ron Young, Christine Fernyhough, Sasha Mykhaylyk, Pierre Chambon Phil Coates, Tim Gough, Fin Caton-Rose Han Meijer, Leon Govaert, Gerit Peters, Rudi Steenbakkers Helen Wilson, Mehmet Sahin
  • 9. The Past & Future of Polymer R&D Z Tadmor, Workshop : Touchstones of modern polymer processing, 2002
  • 10. Knowledge Transfer Role • Liaison between Academia and Industry. • Investigate feasibility of suggested projects within μPP framework. Identify goals of project. • Identify people, expertise and resources to be put together and have the job done. • Follow the progress and provide timeframes within the projects should be deliverable. • Ensure confidentiality of research and data and knowledge exchange.
  • 11. Final Notes business •Gap exists between polymer science and processing & performance. •Advances in molecular rheology can science technology integrate business needs with scientific expertise and technology. •A strategic project has to be established for a thriving relationship between university and industry to drive innovations. •For project ideas to succeed both technically and economically, we have to work with other businesses in the product life cycle.