The Vapor-Liquid Phase Diagram of Pure Methane Using Temperature-Dependent Interaction Parameters: A Monte Carlo Simulation

01.Aug.2019

​Adopting temperature dependent interaction parameters in the Lennard-Jones potential, the vapour-liquid phase diagram of methane was produced using NVT Gibbs Ensemble Monte Carlo technique. Published second virial coefficient data were used to fit a simple two-parameter temperature dependent model for the interaction parameters. The simulations were carried out in the temperature range 120-190 K. The critical density and temperature were evaluated using Ising-scaling model. Using the temperature dependent interaction parameters in the simulation has reduced the root mean square deviation by 94.7% compared to the temperature independent interaction parameters. The evaluated critical temperature was enhanced using temperature dependent interaction parameters, whereas the simulations using temperature independent interaction parameters predicts a better critical density value.

https://www.researchgate.net/publication/332935525_The_Vapor-Liquid_Phase_Diagram_of_Pure_Methane_Using_Temperature-Dependent_Interaction_Parameters_A_Monte_Carlo_Simulation​