Simple quasicrystal model of liquid and its applications: calculations of enthalpy of vaporisation and adsorption energy in slit nanopore

Physical properties of liquids are important to both theoretical study and engineering designs. These properties are determined by the spatial configuration of liquids. Based on the main characteristics of short-range order of liquid configuration, a simple quasicrystal model of liquid with close-packed body-centred cubic structure is proposed to simulate the spatial structure of liquids. Then the bonding potential energy of liquid molecule is analytically expressed with Lennard-Jones intermolecular potential. Enthalpy of evaporation can be calculated with this model, which has obvious physical meaning and the calculated values agree with experimental data. Based on the fact that liquid in a confined nano-space are distributed in layers, the characteristics of liquids in slit nanopores can also be described with this simple model. The potential profiles of liquid molecules in slit nanopores and the heat of adsorption can be well reproduced with this quasicrystal model of liquid. This model can capture the main characteristics of liquid. It provides a simple method to describe the physical mechanism and directly estimate the characteristic parameters of simple liquid systems.