Effect of the Topology on Wetting and Drying of Hydrophobic Porous Materials
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Source files and results of MD simulations published in ACS Applied Materials & Interfaces. "Effect of the Topology on Wetting and Drying of Hydrophobic Porous Materials". DOI: 10.1021/acsami.2c06039 Nomenclature of main folders: open, and closed are used for open and totally closed tubes. closed1o and clos4ed2o are used for tubes with 1 and 2 open rows of side holes Nomenclature of internal folders: digits - pressure in MPa, letter "d" is used for extrusion (downward pressure) CONFIG, CONTROL, FIELD are input DLPOLY files OUTPUT, REVCON, REVIVE, HISTORY, STATIS are output DLPOLY files. *.vmd is the VMD input file
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2025-01-14
