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      Permanent link:
      https://www.ias.ac.in/article/fulltext/jcsc/129/07/0999-1003

    • Keywords

       

      Polymers; anomaly; water.

    • Abstract

       

      Starting from an anomalous monomeric system, where particles interact via a two-scale cores oftened potential, we investigate how the system properties evolve inasmuch as particles are put together to form polymers whose chain size varies from 4 up to 32 monomers. We observed that the density and diffusionanomaly regions in the pressure versus temperature phase diagram of the monomeric system is smaller in the monomeric system when compared with the polymers. We also found that the polymers do not fold into themselves to form solid spheres instead they tend to maximize the chain-fluid contact.Also, Rouse and Reptation models can be employed to describe the polymers diffusive behaviour. But, in contrast to results of simulations where mere interacts via Lennard-Jones potentials, our results shown a much shorter entanglement length of at most 8 monomers.

    • Author Affiliations

       

      RONALDO J C BATISTA1 EVY A SALCEDO TORRES2 ALAN BARROS DE OLIVEIRA1 MARCIA C B BARBOSA3

      1. Departamento de Física, Universidade Federal de Ouro Preto, Ouro Preto, MG 35400-000, Brazil
      2. Coordenadoria Especial de Física, Química e Matemática, Universidade Federal de Santa Catarina, Rua Pedro João Pereira, 150, Araranguá, SC 88900-000, Brazil
      3. Instituto de Física, Universidade Federal do Rio Grande do Sul, Porto Alegre, RS 91501-970, Brazil
    • Dates

       
  • Journal of Chemical Sciences | News

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