2024
DOI: 10.1063/5.0217827
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The temperature of maximum in density of aqueous solutions of nitrate and ammonium salts: Testing the Madrid-2019 force field

S. Blazquez,
M. de Lucas,
C. Vega
et al.

Abstract: The shift in the temperature of maximum in density (TMD) at room pressure of aqueous solutions of a set of five salts containing NO3− and/or NH4+ groups is studied both through experiments and through molecular dynamics simulations using the Madrid-2019 force field for ions and the TIP4P/2005 model for water. The experiments demonstrate the potential transferability and limitations of the Madrid-2019 force field for nitrate and ammonium ions recently developed by our group at different temperatures and add upd… Show more

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