Mathematical Modeling of Thermodynamic Properties of a Fluid Based on the Yukawa Double Potential: Analytical Results

详细

The equilibrium thermodynamic properties of a simple fluid with an interatomic potential in the form of a superposition of double Yukawa potentials is calculated. The proposed constructive computational scheme can reduce the time-consuming task of the determination of the free parameters of the potential to a search for one variable parameter. It is shown that the thermodynamic functions and the interaction potential are converted to the corresponding one-parameter dependences, and the optimal parameter value is calculated based on the best agreement with the experiment. The results of calculations of the properties of various model systems are compared with the measurement data.