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Citation: Congying Lu, Fei Zhong, Zhenyu Yuan, Shuaibing Li, Jiayao Li, Jiewen Liu, Xianyang Hu, Liqun Sun, Rui Li, Meijuan Hu. Experimental Improvement of Surfactant Interface Chemistry: An Integrated Design for the Fusion of Experiment and Simulation[J]. University Chemistry, ;2024, 39(3): 283-293. doi: 10.3866/PKU.DXHX202308097 shu

Experimental Improvement of Surfactant Interface Chemistry: An Integrated Design for the Fusion of Experiment and Simulation

Heilongjiang Provincial Key Laboratory of Oilfield Applied Chemistry and Technology, Daqing Normal University, Daqing 163712, Heilongjiang Province, China

Corresponding author: Congying Lu, laboo111@163.com
Received Date: 28 August 2023

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.
- Interface chemistry,
- Surfactant,
- Molecular dynamics simulation,
- Physical chemistry experiment,
- Computational chemistry,
- Intelligent teaching
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