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  1. No Access

    Article

    Permeability of Polymer Membranes Based on Polyimides Towards Helium

    The approach to the prediction of permeability of polymer membranes based on polyimides and polyamidoimides towards helium is described. According to the approach, the activation energy of helium penetration i...

    A. A. Askadskii, A. V. Matseevich, I. V. Volgin, S. V. Lyulin in Polymer Science, Series A (2023)

  2. No Access

    Article

    Combined Use of Atomic Force Microscopy and Molecular Dynamics in the Study of Biopolymer Systems

    Publications showing the prospects of combining computer simulation with atomic force microscopy in the study of polymer biological objects and materials for various purposes are analyzed. The problems that ar...

    M. A. Smirnov, D. A. Tolmachev, A. D. Glova, M. P. Sokolova… in Polymer Science, Series C (2021)

  3. No Access

    Article

    The Initial Stage of Thermoplastic Polyimide Crystallization: Computer Simulations and Experiments

    The following review focuses on the analysis of computer simulation and experimental research of the initial crystallization stage of crystallizable thermoplastic polyimides, which have a strong potential as b...

    V. M. Nazarychev, S. V. Larin, J. M. Kenny… in Reviews and Advances in Chemistry (2021)

  4. No Access

    Article

    Drying and redispersion of plant cellulose nanofibers for industrial applications: a review

    The broad range of applications of cellulose (CNFs) nanofibers derived from plant sources has promoted different strategies for their production and commercialization. Nevertheless, issues concerning its trans...

    P. Posada, J. Velásquez-Cock, C. Gómez-Hoyos, A. M. Serpa Guerra, S. V. Lyulin… in Cellulose (2020)

  5. No Access

    Article

    Computer Simulation of Asphaltenes

    The review describes theoretical approaches based on computer simulations at various levels of details (from quantum chemical calculations to atomistic and coarse-grained models) to study asphaltenes and syste...

    S. V. Lyulin, A. D. Glova, S. G. Falkovich, V. A. Ivanov… in Petroleum Chemistry (2018)

  6. No Access

    Article

    Diffusion of Nanoparticles in Polymer Systems

    The state-of-the-art in research of the mobility of nanoparticles in polymer melts is presented. It is important to determine the mechanisms of diffusion processes in these systems and factors affecting the di...

    I. V. Volgin, S. V. Larin, S. V. Lyulin in Polymer Science, Series C (2018)

  7. No Access

    Article

    Multiscale computer simulation of polymer nanocomposites based on thermoplastics

    A literature review is presented on a multiscale approach to the simulation of nanocomposites based on thermoplastic polymers that includes calculations using quantum-chemical methods and molecular dynamics si...

    S. V. Lyulin, S. V. Larin, V. M. Nazarychev, S. G. Fal’kovich… in Polymer Science Series C (2016)

  8. No Access

    Article

    Computer simulation of the heat-resistant polyimides ULTEM™ and EXTEM™ with the use of GROMOS53a6 and AMBER99 force fields

    An atomistic computer simulation was performed for the polyimides ULTEM™ and EXTEM™ via the molecular-dynamics method with the use of Gromos53a6 and Amber99 force fields. For parameterization of electrostatic ...

    S. G. Fal’kovich, S. V. Larin, V. M. Nazarychev, I. V. Volgin… in Polymer Science Series A (2014)

  9. No Access

    Article

    Evaluation of the characteristic equilibration times of bulk polyimides via full-atomic computer simulation

    The full-atomic computer simulation of bulk plastic polyimides based on dianhydride 1,3-bis(3′,4-dicarboxyphenoxy)benzene and two types of diamines, 4,4′-bis(4″-aminophenoxy)diphenyl sulfone and 4,4′-bis(amino...

    V. M. Nazarychev, S. V. Larin, N. V. Lukasheva, A. D. Glova… in Polymer Science Series A (2013)

  10. No Access

    Article

    Effect of the SO2 group in the diamine fragment of polyimides on their structural, thermophysical, and mechanical properties

    Experimental and theoretical investigations, including an all-atom computer simulation, are performed for block samples of thermoplastic polyimides, amorphous R-BAPS (based on R dianhydride 1,3-bis(3′,4-dicarb...

    S. V. Lyulin, S. V. Larin, A. A. Gurtovenko, N. V. Lukasheva… in Polymer Science Series A (2012)

  11. No Access

    Article

    Structural behavior of hyperbranched polymers in solvents of various qualities: Brownian dynamics simulation

    Structural characteristics of third- and fourth-generation dendrimers and irregular hyperbranched polymers of various topologies equal to regular dendrimers in terms of molecular mass in solutions of various t...

    S. V. Lyulin, E. V. Reshetnikov, A. A. Darinskii, A. V. Lyulin in Polymer Science Series A (2011)

  12. No Access

    Article

    Charge inversion of dendrimers in complexes with linear polyelectrolytes in the solutions with low pH

    Complexes of fully ionized third-generation dendrimers with oppositely charged linear polyelectrolyte chains are studied by the Brownian dynamics method. A freely jointed model of a dendrimer and a linear chai...

    S. V. Larin, S. V. Lyulin, A. V. Lyulin, A. A. Darinskii in Polymer Science Series A (2009)

  13. No Access

    Article

    Local orientational mobility in dendrimers. Theory and computer-aided simulation

    The orientational mobility of segments in dendrimers are studied by the method of Brownian dynamics, and the results are analyzed in terms of an earlier proposed analytical theory. The orientational autocorrel...

    D. A. Markelov, Yu. Ya. Gotlib, A. A. Darinskii, A. V. Lyulin… in Polymer Science Series A (2009)

  14. No Access

    Chapter and Conference Paper

    Influence of Mechanical Deformation on Electro-Optical Birefringence in Polymer Networks

    A theory of the Kerr effect (electro-optical birefringence) for polymer networks has been developed. The optical birefringence of polymers in the external electric field E is connected with orientation of optical...

    Yu. Ya. Gotlib, S. V. Lyulin, V. P. Toshchevikov in Progress and Trends in Rheology V (1998)