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过冷简单液体在玻璃转变附近的密度标度。

Density scaling of supercooled simple liquids near the glass transition.

机构信息

Institute of Physics, Silesian University, Uniwersytecka 4, 40-007 Katowice, Poland.

出版信息

J Phys Chem B. 2010 Sep 9;114(35):11544-51. doi: 10.1021/jp104080f.

Abstract

In this work, we show that two competing equations of state, the first one derived from some effective approximation of intermolecular potential suspected to be responsible for so-called "thermodynamic scaling" and the second one following from the definition of isothermal bulk modulus, are able to describe very well experimental volumetric data of supercooled van der Waals liquids in the thermodynamic scaling regime. The values of the exponent gamma(EOS) experimentally established from both these equations of state are numerically very close, and moreover they enable us to achieve a high quality of the specific volume or density linear scaling suggested by these equations. However, the found density scaling requires a distinctly different value of gamma(EOS) than that leading to the scaling of dynamic quantities. The discrepancy can be explained by our modification of the Avramov model which assumes the density scaling of the maximal energy barrier with the scaling exponent gamma(EOS).

摘要

在这项工作中,我们展示了两个相互竞争的状态方程,第一个是从一些可能导致所谓“热力学标度”的分子间势的有效近似中推导出来的,第二个是从等温和体弹性模量的定义中推导出来的,这两个方程能够很好地描述在热力学标度范围内过冷范德瓦尔斯液体的实验体积数据。从这两个状态方程实验确定的指数γ(EOS)在数值上非常接近,而且它们使我们能够实现这些方程所建议的比容或密度线性标度的高质量。然而,发现的密度标度需要一个明显不同于导致动态量标度的γ(EOS)的值。这种差异可以通过我们对 Avramov 模型的修改来解释,该模型假设最大能量势垒的密度标度与标度指数γ(EOS)。

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