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

• المؤلفون الرئيسيون: Tan, Johnathan Shiliang, Do, D. D., Chew, Jia Wei
• مؤلفون آخرون: School of Chemical and Biomedical Engineering
• التنسيق: مقال
• اللغة: English
• منشور في: 2022
• الموضوعات: Engineering::Chemical technology; Adsorption; Kinetic Monte Carlo
• الوصول للمادة أونلاين: https://hdl.handle.net/10356/161992

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...