Lattice models are a central idea in statistical thermodynamics, as they allow for the introduction of a configurational entropy by counting the multiplicity of placing indistinguishable particles on a lattice. In this work we use a lattice model to show that the configurational entropy needs to be merged with the molecular translational entropy in order to have a consistent model. This is achieved by replacing the volume of a lattice site with a quantum volume (i.e., the cube of the thermal wavelength). This modified lattice model allows us to derive a new equation of state, referred to as the Bragg-Williams equation state, from which we may also derive a generalized version of the van der Waals equation of state. In contrast to the standard van der Waals equation of state, the heat capacity of the new models has temperature dependence.

Per-Olof Åstrand

Rodrigo de Miguel

The Journal of Physical Chemistry B

期刊接受研究文章的一个基本标准是它们提供了新的物理见解。请参阅 NEW PHYSICAL INSIGHTS 虚拟问题，了解什么是新的物理洞察力。本质上报告数据或数据应用的手稿通常不适合在 JPC B 中发表。

The Journal of Physical Chemistry B accepts research articles based on the fundamental criterion of providing new physical insights. For what constitutes new physical insights, please refer to the NEW PHYSICAL INSIGHTS virtual issue. Manuscripts that primarily report data or data applications are generally not suitable for publication in the Journal of Physical Chemistry B.

《Journal of Physical Chemistry B》期刊接受研究文章的基本标准是提供新的物理见解。有关什么是新的物理洞察力，请参阅 NEW PHYSICAL INSIGHTS 虚拟问题。一般来说，仅报告数据或数据应用的手稿通常不适合在《Journal of Physical Chemistry B》上发表。

Category	Quartile
化学	2
化学, 物理化学	3

Lattice Models in Molecular Thermodynamics: Merging the Configurational and Translational Entropies

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