重新审视类水网络形成格点模型
Revisiting waterlike network-forming lattice models
摘要：
在之前的一篇论文[J. Chem. Phys. 129，024506（2008）]中，我们研究了最近为了研究水异常而提出的网络形成流体的三维晶格模型。我们的半解析计算，基于群集变分技术，原来几乎定量地再现几个Monte Carlo结果，并使我们能够澄清的相图的结构，包括不同种类的取向有序相。在这里，我们将计算扩展到不同的参数值和其他类似的模型，在文献中已知的。我们观察到，类似的有序相发生在所有这些模型。此外，我们表明，某些“水”热力学异常，声称由以前的研究，确实是文物的同质性假设中的分析处理。我们认为，这样的困难是常见的一类晶格模型的水，并提出了一种可能的方法来克服这个问题。
英文摘要：
In a previous paper [J. Chem. Phys. 129, 024506 (2008)] we studied a 3 dimensional lattice model of a network-forming fluid, recently proposed in order to investigate water anomalies. Our semi-analytical calculation, based on a cluster-variation technique, turned out to reproduce almost quantitatively several Monte Carlo results and allowed us to clarify the structure of the phase diagram, including different kinds of orientationally ordered phases. Here, we extend the calculation to different parameter values and to other similar models, known in the literature. We observe that analogous ordered phases occur in all these models. Moreover, we show that certain "waterlike" thermodynamic anomalies, claimed by previous studies, are indeed artifacts of a homogeneity assumption made in the analytical treatment. We argue that such a difficulty is common to a whole class of lattice models for water, and suggest a possible way to overcome the problem.
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