Solvent Isotherms and Structural Transitions in Nanoparticle Superlattice Assembly
Leandro L. Missoni,
Alex Upah,
Gervasio Zaldívar
et al.
Abstract:We introduce a Molecular Theory for Compressible Fluids (MOLT-CF) that enables us to compute free energies and other thermodynamic functions for nanoparticle superlattices with any solvent content, including the dry limit. Quantitative agreement is observed between MOLT-CF and united-atom molecular dynamics simulations performed to assess the reliability and precision of the theory. Among other predictions, MOLT-CF shows that the amount of solvent within the superlattice decreases approximately linearly with i… Show more
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