Hydration properties of Al3+ ion using empirical ion-water potential by Monte Carlo simulation

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Barlette, Vania Elisabeth; Freitas, Luiz Carlos Gomide; Guadagnini, Paulo Henrique; Bertran, Celso Aparecido; (2008)
  • Publisher: Sociedade Brasileira de Química
  • Subject: aluminum ion hydration | ion-water interaction | aluminum aqueous solution | empirical potential | Monte Carlo simulation

In this work, hydration properties of Al3+ ion are investigated by statistical mechanics Monte Carlo simulations in the NpT ensemble at 298.15 K and 1 atm using an effective ion-water potential model whose parameters were developed through empirical search in configurat... View more
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