Microscopic Mechanism of Variations in Physical Parameters of Natural Gas Containing CO2 at Ultrahigh Temperature and High Pressure

Owing to limitations imposed by the experimental requirements, it is difficult to carry out pressure-volume-temperature experiments on CO2-containing natural gas in high-temperature and ultrahigh-pressure gas reservoirs. Relevant research is also insufficient, which has led to a lack of clarity in current understanding of the microscopic mechanism of variations in the deviation factor of high-CO2 natural gas under high-temperature and ultrahigh-pressure conditions. This has greatly limited the development of natural gas reservoirs containing CO2. To reveal the microscopic mechanism of variations in the deviation factor of natural gas containing CO2 as a function of pressure under high-temperature and high-pressure conditions, by physical simulation experiments, the deviation factors of samples of sour natural gas with known CO2 contents from the Ledong gas reservoir were determined. Then, according to the idealized parameters of the physical experiment, a molecular model of natural gas containing CO2 was established using molecular simulation methods. Changes in molecular density, molecular volume, nonbonding interaction energy, potential energy, and kinetic energy during variations in the deviation factor of a CO2-containing natural gas system as a function of pressure under high-temperature and ultrahigh-pressure conditions were quantitatively studied. Using molecular simulation techniques, it was found that the changes in total energy, kinetic energy, and potential energy between molecules are the internal factors that cause variations in the deviation factor of natural gas systems containing CO2 under ultrahigh-temperature and high-pressure conditions. The results show that the increase of carbon dioxide content in natural gas will cause the total energy of natural gas molecules to decrease when the pressure is constant. This means that the higher the CO2 content in natural gas, the easier it will be compressed. This study should lay the foundation for investigating the mechanisms of the occurrence of CO2-containing natural gas, as well as facilitating the exploitation of CO2-containing natural gas.