引用本文:
鲁聪颖, 仲非, 袁振宇, 李帅兵, 李佳瑶, 刘杰文, 胡贤阳, 孙莉群, 李睿, 胡美娟. 表面活性剂界面化学实验改进：实验与模拟融合的综合设计[J]. 大学化学,
2024, 39(3): 283-293.
doi:
10.3866/PKU.DXHX202308097
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
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
表面活性剂界面化学实验改进：实验与模拟融合的综合设计
English
Experimental Improvement of Surfactant Interface Chemistry: An Integrated Design for the Fusion of Experiment and Simulation
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.
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