Nucleation of water clusters on functionalised graphite with kinetic Monte Carlo scheme

• Main Authors: Tan, Johnathan Shiliang, Do, D. D., Chew, Jia Wei
• Other Authors: School of Chemical and Biomedical Engineering
• Format: Article
• Language: English
• Published: 2022
• Subjects: Engineering::Chemical technology; Adsorption; Kinetic Monte Carlo
• Online Access: https://hdl.handle.net/10356/161992
• Institution: Nanyang Technological University

Although activated carbon is generally hydrophobic, water can adsorb on its surface due to the presence of functional groups. During the initial interactions between functional groups and water molecules, atoms of the functional groups rotate around the sigma bonds to maximise the electrostatic inte...