首页|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

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

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本实验聚焦化学领域科技前沿,关注智慧教学发展,将计算化学相关理念及方法融入传统实验,对数据分析和体系可视化进行了改进.利用Packmol软件构建与实验体系相符的模型,用Gromacs软件计算分析各体系中表面活性剂的倾斜角、回转半径、径向分布函数、氢键及溶剂可及表面积等数据,从微观层面研究吸附特性.本综合实验能够使学生从原子尺度认识表面活性剂的吸附和乳化过程的微观变化,激发学生学习兴趣,提升了学生的软件应用能力及空间想象能力,丰富物理化学实验有关界面化学实验的课程设计.
Experimental Improvement of Surfactant Interface Chemistry:An Integrated Design for the Fusion of Experiment and Simulation
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 chemistrySurfactantMolecular dynamics simulationPhysical chemistry experimentComputational chemistryIntelligent teaching

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

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大庆师范学院,黑龙江省油田应用化学与技术重点实验室,黑龙江 大庆 163712

界面化学 表面活性剂 分子动力学模拟 物理化学实验 计算化学 智慧教学

大庆师范学院教育教学改革一般项目大庆市指导性科技计划大庆师范学院自然科学研究项目黑龙江省自然科学基金

JY2308zd-2023-1521ZR09LH2021B001

2024

大学化学
北京大学 中国化学会

大学化学

影响因子:0.636
ISSN:1000-8438
年,卷(期):2024.39(3)
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