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Multi-Scale Experimental Research and Modelling of Composites Based on Advanced Thermoplastics for Industrial Applications (POLYCOMPLAB)

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As of 30.01.2020

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General information

Name of the project: Multi-scale experimental research and modeling polymer composites based on prospective thermoplastic materials for industrial applications

Strategy for Scientific and Technological Development Priority Level: а

Goals and objectives

Research directions: New materials, production technologies and processes

Project objective: Developing new polymer composite materials with enhanced characteristics, technologies of their synthesis as well as research of main factors influencing their structure, mechanical, heat and electric qualities using methods of multi-scale computer modeling and experimental methods.

The practical value of the study

  • We have tested and optimized methods of synthesizing nanocomposites based on thermoplastic polymers of various classes using solution and molten methods. We have conducted research of impact of the method of synthesis of polymers (including imidization of polyamic acid) on qualities of synthesized polymers and produced nanocomposites.
  • Developed experimental methods have been used for producing nanoomposites based on polyimides, polyetheretherketone, polyphenylsulfone and other thermoplastic polymers using a wide range of nanoparticles as fillers (carbon fibers, nanotubes including with modified surfaces, graphene).
  • We have conducted research of mechanical characteristics of produced materials and their dependence on structure of polymer matrix near the surface of nanoparticles, crystallization processes and transcrystallization occurring in materials.
  • The Laboratory has researched impact of chemical structures of polymer binding component as well as of type and volume of injected nano-filler on qualities of produced materials. The research used methods of multi-scale computer modeling, including quantum chemical computations, full-atom modeling using the molecular dynamics method, mesoscopic and continual methods.
  • Our researchers have studied impact of particles of nano-filler on the structure of the polymer binding component in nanocomposites and determined main conditions which ensure capability of carbon nanoparticles to initiate crystallization of polymers. Using experimental methods and computer modeling we have studied kinetics of crystallization of polymers in nanocomposites.
  • We have proven that crystallization of polymers leads to changes in mechanical qualities of composites based on them that are caused by anisotropy of qualities of the polymer binding component near the surface of nanofiller particles.

Education and career development:

  • We have developed 2 new courses: «Materials science» and «Polymer composite materials».
  • One doctoral dissertation and one candidate dissertation have been defended.

Organizational and structural changes:

  • We have developed a project of an engineering center for chemistry of new polymer and hybrid materials that includes and R&D bureau of engineering design, mathematical computation and multi-scale modeling, a laboratory for chemistry of modern materials, a laboratory for technologies of production of composite materials, a laboratory for control of physical qualities of developed products.
  • A cooperation memorandum has been signed between the Institute for High-Molecular Compounds and the United Shipbuilding Corporation.
  • The Institute for High-Molecular Compounds has been invited to work at the Saint Petersburg Composite Cluster and entered the Cluster in 2016; facilitator of the project doctor of physical and mathematical sciences S. V. Lyulin is the chair of Council for Science and Technology of the Composite Cluster.
  • Collaboration agreements have been signed for developing and producing new composite materials based on thermoplastic polymers with the Plastic Processing Plant named after Komsomolskaya pravda (Saint Petersburg) and the Moscow Region State University (Korolyov). A representative of the Institute for High-Molecular Compounds has received an invitation to enter the Director's Board of the Plastic Processing Plant named after Komsomolskaya pravda.
  • We have been preparing a project to create a technology for producing brackets from polymer composite materials for the shipbuilding industry. The project has been approved by the Council for Science and Technology of the United Shipbuilding Corporation, workgroup No 2 for reviewing proposals submitted within the State Program of the Russian Federation «Development of shipbuilding and technologies for surveying shelf oil and gas fields for 2013-2030», the Scientific Coordination Council of the Ministry of Industry and trade of the Russian Federation. The Institute for High-Molecular Compounds and the Sredne-Nevskiy Shipyard have signed agreements with aggregate value of over 7 million rubles.

Other results:

As a part of the Laboratory's work at the Institute for High-Molecular Compounds annually conducts International Conference on Thermoplastic Polymers that is devoted to results of the Laboratory's work and experience exchange with foreign researchers working on polymer composite materials. Within this conference in 2015 and 2016 we conducted round tables devoted to transfer of results of research to industry with participation of leading research and industrial institutions.


Saint Petersburg State University (Russia), Moscow State University (Russia), University of Perugia (Italy), European Centre for Nanostructured Polymers (Italy), Institute or Polymer Technologies and Nanotechnologies (Argentina), TU Eindhoven (the Netherlands), Dutch Polymer Institute (the Netherlands), Universidad Pontificia Bolivariana (Colombia), A.V.Topchiev Institute of Petrochemical Synthesis of the Russian Academy of Sciences (Russia), Kurchatov Institute (Russia): joint research



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Nazarychev V., Toshchevikov V., Larin S., Lyulin S.
Local orientational mobility of polyimide-based nanocomposites. Polymer 147: 142-149 (2018).
Lukasheva N., Tolmachev D., Nazarychev V., Kenny J., Lyulin S.
Influence of specific intermolecular interactions on the thermal and dielectric properties of bulk polymers: atomistic molecular dynamics simulations of Nylon 6. Soft Matter 13: 474-485 (2017).
Nazarychev V., Lyulin A., Larin S., Gurtovenko A., Kenny J., Lyulin S.
Molecular dynamics simulations of uniaxial deformation of thermoplastic polyimides. Soft Matter 12: 3972-3981 (2016).
Falkovich S., Nazarychev V., Larin S., Kenny J.M., Lyulin S.
Mechanical Properties of a Polymer at the Interface Structurally Ordered by Graphene. The Journal of Physical Chemistry C 120(12): 6771–6777 (2016).
Nazarychev V., Lyulin A., Larin S., Gofman I., Kenny J.M., Lyulin S.
Correlation between the High-Temperature Local Mobility of Heterocyclic Polyimides and Their Mechanical Properties. Macromolecules 49(17): 6700–6710 (2016).
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