Size effect on transport properties of liquid argon:A molecular dynamics simulation study

There are various theories of transport properties in gases and liquids. The analogy breaks down in one respect. Since the state of thermal equilibrium is unique, a single partition function gives all the thermodynamic properties, but since there are many different kinds of non-equilibrium states, a different time-correlation function for each type of transport process is needed. Determining the appropriate time-correlation function to use for a particular transport process of interest is very important. The configurations of argon molecules were stored every time step for further analysis. The systems were fully equilibrated and the equilibrium properties are averaged over 10 blocks of 5,000 time steps. Since the state of thermal equilibrium is unique, a single partition function gives all the thermodynamic properties, but since there are many different kinds of non-equilibrium states, a different time-correlation function for each type of transport process is needed.