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On the evaluation of the Kirkwood-Buff integrals of aqueous acetone mixtures

机译:关于丙酮水溶液混合物的Kirkwood-Buff积分的评估

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摘要

The Kirkwood-Buff integrals of acetone-water mixtures are determined using two experimental techniques:small-angle neutron scattering and vapor pressure measurements,in order to test the precision and reliability that can be achieved.The data are then compared with those previously reported by different authors,which tend to show considerable variation between them.The various possible sources of inaccuracies are pointed out,both from experimental origins and from the numerical treatment of the data.Comparison with recent simulation results allows to critically compare different models and provide some information about the microstructure of the aqueous mixture.
机译:丙酮-水混合物的Kirkwood-Buff积分是使用两种实验技术确定的:小角度中子散射和蒸气压测量,以测试可实现的精度和可靠性,然后将数据与之前由Chem。指出了各种可能的误差来源,包括实验来源和数据的数值处理。与最近的模拟结果进行比较可以对不同的模型进行严格比较,并提供一些信息。关于水性混合物的微观结构。

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