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Simulation of ionic water solutions and verification of the Jones-Dole relation

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Treballs Finals de Grau de Física, Facultat de Física, Universitat de Barcelona, Curs: 2016, Tutor: Giancarlo Franzese

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Despite the diffusion anomalies of water ionic solutions have been widely studied in recent years, a complete connection between them and the nature of the intermolecular interaction of water and ions is still lacking. In this work, we hypothesise a mean-field like specific form for the inuence of the concentration on the hydrogen bond energy. We find that the diffusivity vs concentration curves follow the empirical Jones-Dole expression over regions of the phase diagram where the diffusion anomaly is present

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Simulation of ionic water solutions and verification of the Jones-Dole relation