Abstract:

This experiment focused on the forefront and technology in chemistry, paid attention to the development of intelligent teaching, integrated computational chemistry concepts and methods into traditional experiments, and improved data analysis. Packmol was used to build models consistent with the experiment. Gromacs was used to calculate and analyze the tilt angle, rotation radius, radial distribution function, hydrogen bond and solvent-accessible surface area to study the adsorption characteristics from the microscopic level. This comprehensive experiment could enable students to understand the microstructure changes in the adsorption and emulsification process of surfactants from the atomic scale, stimulate students' interest in learning, improve their software application and spatial imagination ability, and enrich the course design of physical chemistry experiments related to interface chemistry experiments.

Key words: Interface chemistry, Surfactant, Molecular dynamics simulation, Physical chemistry experiment, Computational chemistry, Intelligent teaching