• EVY A SALCEDO TORRES

      Articles written in Journal of Chemical Sciences

    • A coarse-grained model based on core-softened potentials for anomalous polymers

      RONALDO J C BATISTA EVY A SALCEDO TORRES ALAN BARROS DE OLIVEIRA MARCIA C B BARBOSA

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      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.

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