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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 01.11.2022

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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

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

Scientific results:

  1. At our Laboratory, with the use of a wide range of experimental and theoretical methods, we have researched the relation between the structure and properties of nanocomposites based on superconstruction thermoplastic polymers of various classes (polyetherimides, polyetheretherketone and others). We synthesized new types of polymers. Experimental methodologies have been created for producing nanocomposites based on these  thermoplastics filled with carbon nanofibers, nanotubes, graphene, basalt fiber and other fillers. The results of the Laboratory’s basic research have high applied significance.
  2. The Laboratory have conducted a research of the possibility of using asphaltenes as cheap natural counterparts of carbon nanoparticles in polymer nanocomposites for various applications, including for developing heat-accumulating batteries. This direction is related not only to the development of efficient methods of power conservation, but also to recycling components of oil reducing its quality and comprising up to 30 per cent in Russian crude oil types.

Implementation of research results:

  • Nanocomposite of original compositions developed by the Laboratory and protected with patents have been used for developing technologies of producing fastening elements from polymer composite materials (PCM) for applications in shipbuilding as part of a state contract with the Ministry of Industry and Trade of the Russian Federation (overall funding — 90 million rubles). 
  • At the Institute of Macromolecular Compounds of the Russian Academy of Sciences we have created a center for polymer materials in shipbuilding, which has been initiated by Prof. Jose Kenny. We are currently working to launch the production of fasting elements with  enhanced strength made of PCM. 

Education and career development:

  • 4 Candidate of Sciences dissertations, 8 student theses have been prepared and defended.
  • Employees of the Laboratory have developed the course «Computer modeling of polymer nanocomposites» that is part of the program of master s degree training at the Faculty of Physics of Saint Petersburg State University.
  • From 2014 to 2019, on the grounds of the Laboratory we conducted an international conference on thermoplastic polymers that was a platform to promote of international cooperation of the Laboratory’s team, exchange of experience and the most modern research results in the Laboratory’s area of studies.

Organizational and structural changes:

In an effort to proliferate the work of the Laboratory to develop new composite materials based on thermally resistant thermoplastic materials, chair of the Laboratory Jose Kenny developed a project of an engineering center for materials chemistry in shipbuilding. In 2019, on the grounds of the Laboratory we opened the first phase of the center, which is furnished with technological equipment to adapt injection molding methods for thermoplastics. This equipment is crucial for implementing materials developed by the Laboratory and products made of them in industry, in particular, composite fasteners.

Other results:

As part of the Laboratory’s work, the Institute of Macromolecular Compounds of the Russian Academy of Sciences conducts the International Conference on Thermoplastic  Polymers every year, which is devoted to both the results of the Laboratory’s work and to experience exchange with invited foreign researchers working in the domain of polymer composite materials. Within the conference, in 2015 and 2016 round tables were staged that were devoted to transferring results of scientific research to industry, which featured representatives of leading Russian   research and industrial organizations. 


  • Eindhoven University of Technology (the Netherlands); Pontifical Bolivarian University (Colombia); Institute of Technology in Polymers and Nanotechnology (ITPN) of the National Scientific and Technical Research Council of Argentina (CONICET); University of Perugia (Italy); University of Extremadura (Spain): joint research.
  • Among the key Russian partners of the Laboratory are: Moscow State University, A. V. Topchiev Institute of Petrochemical Synthesis of the Russian Academy of Sciences; A. E. Arbuzov Institute of Organic and Physical Chemistry of the Kazan Scientific Center of the Russian Academy of Sciences: implementing major research projects in collaboration with the said organizations that allowed to broaden the scope of the research conducted at the Laboratory, establish long-term partnerships that are still lasting.
  • Close cooperation in the training of young processionals has been established with Saint Petersburg State University and Peter the Great Saint Petersburg Polytechnic University. Students of these universities prepare their thesis on the grounds of our laboratory, often continuing to work at the Laboratory after graduating from university. 

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l. peponi, d. puglia, l. torre, l. valentini, j.m. kenny
Processing of nanostructured polymers and advanced polymeric based nanocomposites. Mat. Sci. Eng. R. 2014. V. 85. P. 1.
s.v. lyulin, s.v. larin, a.a. gurtovenko, v.m. nazarychev, s.g. falkovich, v.e. yudin, v.m. svetlichnyi, i.v. gofman, a.v. lyulin.
Thermal properties of bulk polyimides: insights from computer modeling versus experiment. Soft Matter. 2014. V. 10. P. 1224.
s.v. larin, a.d. glova, e.b. serebryakov, v.m. nazarychev, j.m. kenny, s.v. lyulin
Influence of the carbon nanotube surface modification on the microstructure of thermoplastic binders. RSC Adv. 2015. V. 5. P. 51621.
v.m. nazarychev, a.v. lyulin, s.v. larin, i.v. gofman, j.m. kenny, s.v. lyulin
Correlation between the High-Temperature Local Mobility of Heterocyclic Polyimides and Their Mechanical Properties. Macromolecules. 2016. V. 49. № 17. P. 6700.
v.m. nazarychev, a.v. lyulin, s.v. larin, a.a. gurtovenko, j.m. kenny, s.v. lyulin
Molecular dynamics simulations of uniaxial deformation of thermoplastic polyimides. Soft Matter. 2016. V. 12. P. 3972.
a. markina, v. ivanov, p. komarov, s. larin, j.m. kenny, s. lyulin
Effect of polymer chain stiffness on initial stages of crystallization of polyetherimides: Coarse-grained computer simulation. J. Polym. Sci. B: Polym. Phys. 2017. V. 55. № 16. P. 1254.
s.v. larin, v.m. nazarychev, a.yu. dobrovskiy, a.v. lyulin, s.v. lyulin
Structural Ordering in SWCNT-Polyimide Nanocomposites and Its Influence on Their Mechanical Properties. Polymers. 2018. V. 10. P. 1245.
i.v. volgin, s.v. larin, a.v. lyulin, s.v. lyulin
Coarse-grained molecular-dynamics simulations of nanoparticle diffusion in polymer nanocomposites. Polymer. 2018. V. 145. P. 80-87.
i.v. volgin, m.v. andreeva, s.v. larin, a.l. didenko, g.v. vaganov, i.l. borisov, a.v. volkov, l.i. klushin, s.v. lyulin
Transport Properties of Thermoplastic R-BAPB Polyimide: Molecular Dynamics Simulations and Experiment. Polymers. 2019. V. 11. P. 1775
v.m. nazarychev, a.d. glova, i.v. volgin, s.v. larin, a.v. lyulin, s.v. lyulin, a.a. gurtovenko
Evaluation of thermal conductivity of organic phase-change materials from equilibrium and non-equilibrium computer simulations: Paraffin as a test case. Int. J. Heat Mass Transf. 2021. V. 165. P. 120639.
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