Polymers with nearest- and next nearest-neighbor interactions on the Husimi lattice

• Autor(a) principal: Oliveira, Tiago J.
• Data de Publicação: 2016
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: LOCUS Repositório Institucional da UFV
• Texto Completo: http://dx.doi.org/10.1088/1751-8113/49/15/155001; http://www.locus.ufv.br/handle/123456789/24064
• topic: Polymer; Coil-globule transition; Exact solution; Husimi lattice

The exact grand-canonical solution of a generalized interacting self-avoid walk (ISAW) model, placed on a Husimi lattice built with squares, is presented. In this model, beyond the traditional interaction ω1=eϵ1/kBT between (nonconsecutive) monomers on nearest-neighbor (NN) sites, an additional energy ϵ2 is associated to next-NN (NNN) monomers. Three definitions of NNN sites/interactions are considered, where each monomer can have, effectively, at most 2, 4 or 6 NNN monomers on the Husimi lattice. The phase diagrams found in all cases have (qualitatively) the same thermodynamic properties: a non-polymerized (NP) and a polymerized (P) phase separated by a critical and a coexistence surface that meet at a tricritical (θ-) line. This θ-line is found even when one of the interactions is repulsive, existing for ω1 in the range [0,∞), i. e., for ϵ1/kBT in the range [−∞,∞). Counterintuitively, a θ-point exists even for an infinite repulsion between NN monomers (ω1=0), being associated to a coil-"soft globule" transition. In the limit of an infinite repulsive force between NNN monomers, however, the coil-globule transition disappears and only a NP-P continuous transition is observed. This particular case, with ω2=0, is also solved exactly on the square lattice, using a transfer matrix calculation, where a discontinuous NP-P transition is found. For attractive and repulsive forces between NN and NNN monomers, respectively, the model becomes quite similar to the semiflexible-ISAW one, whose crystalline phase is not observed here, as a consequence of the frustration due to competing NN and NNN forces. The mapping of the phase diagrams in canonical ones is discussed and compared with recent results from Monte Carlo simulations.