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Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
Published on: August 2, 2012
The associating lattice gas in the presence of interacting solutes
Mauricio Girardi1, Marcia M Szortyka1, Vera B Henriques2
1Universidade Federal de Santa Catarina, Rua Pedro João Pereira, 150 - Mato Alto, 88900-000 Araranguá SC, Brazil.
Abstract:
We have investigated the phase diagram of a statistical model for hydrogen-bonding solutions for polar solutes. The structured solvent is represented by an associating lattice gas, which presents anomalous density and liquid-liquid coexistence. Polar solute particles and solvent particles interact attractively, while the solvent-solvent interaction is made directional through bonding arms, which mimic hydrogen bonds. The model behavior is obtained via Monte Carlo simulations in the grand-canonical ensemble, for different sets of parameters. For small solute chemical potential and weak attraction between solute and solvent particles, addition of solute yields a shift in the transition lines of the pure solvent. This is the scenario explored by different authors, in the pursuit of stabilizing the water liquid-liquid coexistence line. However, as we show, in the case of larger solute chemical potentials, or of stronger solute-solvent attractions, new phases may arise.
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