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Activation volume in the density scaling regime: Equation of state and its test by using experimental and simulation data

机译：密度缩放模式下的激活体积：状态方程及其使用实验和模拟数据的测试

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摘要

In this paper, a formalism for the activation volume of glass-forming materials is suggested. An isothermal equation of state for the activation volume is formulated, which is extended to a generalized equation of state that describes the activation volume as a function of temperature and pressure. Both the equations of state are very successfully validated by using experimental and simulation data collected for supercooled Kob-Andersen binary Lennard-Jones liquid and materials from various material groups such as van der Waals liquids, polymers, protic ionic liquids, and strongly hydrogen-bonded liquids. Some predictions based on these equations of state for the activation volume are also very satisfactorily verified in the case of each considered system, especially a kind of activation volume scaling is confirmed, which is possible by using the scaling exponent that also constitutes the slope of the expected linear pressure dependence of the isothermal bulk modulus for the activation volume. The until recently unexpected negative value of the slope is explained in the case of the systems that obey the thermodynamic scaling law, at least to a good approximation.
机译：在本文中，提出了一种形式化的玻璃形成材料的活化量。制定了活化体积的等温状态方程，将其扩展为描述活化体积随温度和压力变化的广义状态方程。通过使用为过冷的Kob-Andersen二元Lennard-Jones液体以及范德华液体，聚合物，质子离子液体和强氢键合等各种材料组收集的实验和模拟数据，非常成功地验证了两个状态方程液体。在每个考虑的系统中，也非常令人满意地验证了基于这些状态方程的激活体积的一些预测，尤其是确认了一种激活体积的缩放比例，这可以通过使用比例指数来实现，该指数也构成了传感器的斜率。活化体积的等温体积模量的预期线性压力依赖性。在至少遵循良好的热力学定律的系统中，解释了直到最近才出现的斜率负值。

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  • 来源
    《Physical review》 |2013年第5期|054105.1-054105.15|共15页
  • 作者

    A. Grzybowski; K. Koperwas; A. Swiety-Pospiech; K. Grzybowska; M. Paluch;

  • 作者单位

    Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland;

    Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland;

    Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland;

    Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland;

    Institute of Physics, University of Silesia, Uniwersytecka 4, 40-007 Katowice, Poland;

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