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首页> 外文期刊>The Journal of Chemical Physics >Phase-ordering kinetics of the liquid-liquid transition in single-component molecular liquids
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Phase-ordering kinetics of the liquid-liquid transition in single-component molecular liquids

机译:单组分分子液体中液-液相转变的相序动力学

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摘要

Recently it has been revealed that even a single-component liquid can have more than two liquid states. The transition between these liquid states is called the "liquid-liquid transition." Most known liquid-liquid transitions occur at temperatures and pressures which are difficult to access experimentally, so the physical nature of the transition, particularly the kinetics, has remained elusive. However, the recent discovery of liquid-liquid transitions in molecular liquids opens up a possibility to study the kinetics in detail. Here, we report the first phase field simulation on the kinetics of a liquid-liquid transition and its direct comparison with experimental results of the molecular liquids. Both nucleation-growth-type and spinodal-decomposition-type liquid-liquid transformation observed experimentally are well reproduced by numerical simulation based on a two-order-parameter model of liquid that regards the liquid-liquid transition as the cooperative formation of locally favored structures. Thus, phase field calculations may allow us to predict the kinetics of liquid-liquid transitions and the resulting spatiotemporal change of various physical properties of the liquid, such as density and refractive index. (C) 2007 American Institute of Physics.
机译:近来已经揭示,即使是单组分液体也可以具有两种以上的液态。这些液态之间的转变称为“液-液转变”。最已知的液-液转变发生在难以通过实验获得的温度和压力下,因此转变的物理性质,尤其是动力学仍然难以捉摸。但是,最近在分子液体中发现液-液转变的可能性为详细研究动力学开辟了可能性。在这里,我们报告有关液-液过渡动力学的第一相场模拟及其与分子液体实验结果的直接比较。基于液体的二阶参数模型的数值模拟,通过数值模拟很好地再现了实验观察到的成核生长型和旋节线分解型的液-液转化,其中液-液转化为局部偏爱的结构的协同形成。因此,相场计算可以使我们预测液-液转变的动力学以及液体各种物理性质(例如密度和折射率)的时空变化。 (C)2007美国物理研究所。

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