Approximation Analysis of Pitzer Acentric Factor By Molecular Dynamics

In daily phase behavior analysis, the Pitzer acentric factor has been used to measure the difference between equation of state and the real physical result. However, considering that this factor was defined by experimental results, it may be invalid on the surface of an extremely irregular boundary microcosmic conditions. In the research where accurate result on irregular boundary needs to be described, the accurate reorganization process must be taken into consideration.

This study uses the statistical method to build a mathematical model which describes the behavior of a definite molecule and uses stochastic process and sensitivity analysis to describe how the surroundings affect this molecule. The solution of this mathematical model proves that the Pitzer acentric factor is approximated by a linear function of logarithmic pressure.

Using Kolmogorov goodness-of-fit test, the result has no significant difference from the experimental result.