Summer Research Intern
Chemical Engineering Internship Program(CEIP)-2024 Guide: Dr. Ganapathy Ayappa, Professor, Department of Chemical Engineering, IISc BangaloreMy Project work involved the MD simulation of a Bare Liquid-Vapor Interface using GROMACS and enhancement of rate of evaporation upon the utilization of UiO-66 Nanoporous MOF through MD Simulation using LAMMPS. The Project work also addresses the preparation of appropriate 2D MOF structures from the 3D structure and the aspect of Defect… Show more Chemical Engineering Internship Program(CEIP)-2024 Guide: Dr. Ganapathy Ayappa, Professor, Department of Chemical Engineering, IISc BangaloreMy Project work involved the MD simulation of a Bare Liquid-Vapor Interface using GROMACS and enhancement of rate of evaporation upon the utilization of UiO-66 Nanoporous MOF through MD Simulation using LAMMPS. The Project work also addresses the preparation of appropriate 2D MOF structures from the 3D structure and the aspect of Defect Engineering to obtain the optimal MOF structure to enhance the rate of evaporation such that the system could be deployed for separation processes, for which we had achieved a significant progress. The prospects of this investigation on evaporation and separation processes also extends from pure water system to complex systems like the Salt Water system and Binary Liquid Systems involving water as a constituent. Show less