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Solvent-mediated interactions between nanostructures: From water to Lennard-Jones liquid

机译:纳米结构之间的溶剂介导的相互作用:从水到Lennard-Jones液体

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Solvent-mediated interactions emerge from complex mechanisms that depend on the solute structure, its wetting properties, and the nature of the liquid. While numerous studies have focused on the first two influences, here, we compare the results from water and Lennard-Jones liquid in order to reveal to what extent solvent-mediated interactions are universal with respect to the nature of the liquid. Besides the influence of the liquid, the results were obtained with classical density functional theory and brute-force molecular dynamics simulations which allow us to contrast these two numerical techniques. Published by AIP Publishing.
机译:溶剂介导的相互作用从依赖于溶质结构,润湿性能和液体的性质的复杂机理中出现。 虽然许多研究专注于前两项影响,但在这里,我们将水和Lennard-Jones液体的结果进行比较,以揭示溶剂介导的相互作用在多大程度上是液体的普遍性。 除了液体的影响之外,通过经典密度泛函理论获得结果,并使我们允许我们对比这两个数值技术进行对比。 通过AIP发布发布。

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