Interaction between hydroxyl group and water saturated supercritical CO2 revealed by a molecular dynamics simulation study
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DOI: 10.1016/j.molliq.2017.02.008
Abstract: Molecular dynamics simulations were performed to investigate hydroxyl groups-CO 2 interactions. Three silica surfaces with different hydroxyl group structures were selected and the effect of pressure was studied in the range of 4.8–32.6 MPa. Radial… read more here.
Keywords: interaction hydroxyl; molecular dynamics; hydroxyl; hydroxyl group ... See more keywords