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Molecular dynamics simulations (MD) were carried out to investigate the adsorption behaviors of H2O, CO2, CH4 and N2 gases, which are the main and important components in gas wells, on the calcite surface at reservoir conditions. By analyzing the binding energy and Helmholtz free energy, we found that the preferential adsorption order of these four gases is: H2O>CO2>CH4>N2. Moreover, we have...
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