Molecular dynamics simulation of thermodynamic properties of NaCl at high pressures and temperatures Original Research Article

The expansivity, constant-pressure heat capacity, and isothermal bulk modulus of sodium chloride (NaCl) have been obtained by using molecular dynamics method. The calculated thermodynamic parameters are found to be in agreement with the available experimental data. At an extended temperature and pressure ranges, these parameters have also been predicted. The thermodynamic properties of NaCl are summarized in the pressure 0–500 kbar ranges and the temperature up to 1000 K.