Why is important to investigate phase balance in hydrocarbons

An accurate description of the phase equilibrium of pure hydrocarbons and their mixtures with carbon dioxide is essential in many industrial and technological fields such as the design of separation equipment in the chemical and energy sectors, enhanced oil recovery and geothermal systems in the presence of CO2. This study aimed to investigate the phase equilibrium of hydrocarbons and their mixtures with carbon dioxide by molecular simulation using the Monte Carlo method. The systems studied using the Monte Carlo method demonstrated good reliability in the prediction of pentane vaporization enthalpies and molar fractions in the vapor phase of the mixture of pentane and carbon dioxide. However, the model and the applied methodology still need to be improved and applied to other hydrocarbons and their mixtures with CO2, as well as the calculation of other thermodynamic properties of the system in equilibrium, such as density and pressure.