论文标题
根据能量功能的簇扩展，提取具有非球体分子的流体的形式主义
Extraction a Formalism for Fluids with Non-Spherical Molecules based on the Cluster Expansion of the Energy Functional
论文作者
论文摘要
在这项工作中，基于能量功能的簇扩展，我们提取了一种形式主义，用于计算具有非球体分子的流体的热力学特性。提取的形式主义的显着特征是它对相互作用的类型没有限制。实际上，我们的形式主义可以用于所有类型的现实颗粒间相互作用。在这里，对于两个各向异性分子的相互作用，我们已经应用了同性恋潜能。最后，我们应用了这种形式主义来计算流体H_2的一些热力学特性，该特性显示了一些预期的结果。
In this work, based on the cluster expansion of the energy functional, we have extracted a formalism for calculation of the thermodynamic properties of fluids with non-spherical molecules. The salient feature of the extracted formalism is that it has no restrictions on the type of interaction. In fact our formalism can be employed for all types of realistic inter-particle interactions. Here, for the interaction of two anisotropic molecules, we have applied the Gay-Berne potential. Finally, we have applied this formalism to calculate some thermodynamic properties of fluid H_2 which shows some expected results.
