However, EOR using anthropogenic CO 2 emissions would be necessary to achieve the desired climate benefits. Traditionally, natural sources of CO 2 are used for about 90% of EOR production in the U.S 23. Typically, the miscible CO 2 flooding process recovers 10–20% of the original oil in place (OOIP), whereas the immiscible CO 2 flooding process recovers 5–10% of the OOIP due to the interfacial tension between CO 2 and oil 24. For example, a decrease in the IFT generally resulted in an increase in the oil yield of the CO 2 flooding process. Properties such as interfacial tension (IFT), density, miscibility, and solubility of the CO 2-oil system are key for CO 2-EOR. crude oil production and its contribution is projected to increase in the future 26. In 2013, CO 2-EOR provided about 4% (0.28 million barrels per day) of the total U.S. Since many decades, enhanced oil recovery (EOR) techniques have been used in order to improve both oil field production and CO 2 sequestration 19, 20, 21, 22, 23, 24, 25, 26. CCS will complement other crucial technologies, such as the use of renewable energy (solar, wind, etc.), increasing energy efficiency, and switching to low-carbon fuels. A variety of materials have been considered for CO 2 capture including metal-organic frameworks 7, 8, 9, zeolites 8, 10, zeolitic imidazolate frameworks 11, polymers 10, 12, 13, 14, and geological formations 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26. In this context, carbon capture and storage (CCS) is considered to be a key technology for reducing anthropogenic CO 2 emissions. At the Paris climate conference 6, nearly 200 countries agreed to a target of keeping global warming below 2 ☌ above the pre-industrial average. The Intergovernmental Panel on Climate Change projects a sea-level rise of 28–61 cm by 2100, if greenhouse gas emissions are significantly reduced 4. For example, oceans are becoming warmer and more acidic, and sea levels are rising rapidly as global warming melts glaciers and ice sheets. Anthropogenic CO 2 emissions play an important role in global warming and the continued increase in the amount of CO 2 in the atmosphere is predicted to lead to significant environmental issues 2, 3, 4, 5. According to recent reports, anthropogenic CO 2 emissions are more than 30 Gt per year, primarily from the combustion of fossil fuels 1. Since the beginning of the industrial revolution in the mid-1700s, driven by the burning of fossil fuels, there has been a steady increase in the emission of the greenhouse gas CO 2 into the atmosphere. Such systematic investigations may help to understand the behavior of the carbon dioxide-oil system in the presence of impurities such as methane for the design and operation of carbon capture and storage and enhanced oil recovery processes. The relatively higher surface excess of the carbon dioxide + n-decane system results in a steeper decrease in its IFT as a function of pressure. Typically, the IFT of the studied systems decreases with increasing pressure and temperature. Our results also show that the presence of methane increases the interfacial tension (IFT) of the carbon dioxide + n-decane system. Interestingly, the methane solubility and the swelling of the methane + n-decane system are not strongly influenced by temperature. In general, both the gas solubility and the swelling factor increase with increasing pressure and decreasing temperature. A key finding is the preferential dissolution in the decane-rich phase and adsorption at the interface for carbon dioxide from the methane/carbon dioxide mixture. In addition, theoretical calculations using the predictive Peng-Robinson equation of state and density gradient theory are carried out to compare with the simulation data. Molecular dynamics simulations were performed to study the bulk and interfacial properties of methane + n-decane, carbon dioxide + n-decane, and methane + carbon dioxide + n-decane systems under geological conditions.
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