超临界流体是否存在三级相变?
Is there a third order phase transition for supercritical fluids?
摘要:
我们证明,根据分子动力学(MD)模拟的液体混合物的Lennard-Jones(L-J)粒子,有没有三级相变在超临界制度超过安德鲁的临界点。这一结果与最近的理论研究和实验形成鲜明对比,这些研究和实验不仅表明了它的存在,而且还表明了它在流体化学性质方面的普遍性。我们认为,我们的结果是坚实的,足以超越MD的局限性和L-J模型的一般特征,从而表明在超临界状态下的流体的液-汽热力学行为相当平滑。
英文摘要:
We prove that according to Molecular Dynamics (MD) simulations of liquid mixtures of Lennard-Jones (L-J) particles, there is no third order phase transition in the supercritical regime beyond Andrew's critical point. This result is in open contrast with recent theoretical studies and experiments which instead suggest not only its existence but also its universality regarding the chemical nature of the fluid. We argue that our results are solid enough to go beyond the limitations of MD and the generic character of L-J models, thus suggesting a rather smooth liquid-vapor thermodynamic behavior of fluids in supercritical regime.
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