中文摘要：

采用三维硬球链流体分子热力学模型构建思路,以单体缔合的统计力学理论为基础,获得了二维硬碟链流体剩余亥氏函数和压缩因子与空穴相关函数的关系。建立的模型已应用于线型硬碟链流体,并探索了模型在不同结构的硬碟链流体中的应用。研究结果显示,建立的模型能满意预测r=5的硬碟链流体的压缩因子,其预测精度优于现有模型。相同链长、相同对比链节密度下,线型硬碟链流体压缩因子最大、支链其次、环状最小,证明所建模型能较好区分结构对性质的影响。

英文摘要：

A generalized equation of state（EOS） for two-dimension hard disk chain fluids（HDCF） was derived with a similar method in building three-dimension hard sphere chain fluid model. The EOS was built through the r-particle cavity correlation function based on the statistical mechanics theory of chemical association, and it was applied in linear HDCF. Compared with existing EOSs, the proposed EOS can better predict the compressibility factors of 5-mers HDCF. The application of the EOS for HDCF with different structures was explored. The trend of compressibility factors under same chain length and reduced density conditions（linear HDCF branched HDCF ring HDCF） proves that the developed EOS can distinguish the effect on HDCF by different structures.