摘要
随着计算机技术的迅猛发展,分子模拟技术已经成为物理化学实验教学中的一种重要现代化教学手段。以Irving-Kirkwood方法求解两相界面张力为例,将分子模拟技术引入物理化学实验教学设计中。首先,介绍界面张力的基本概念,并引入分子模拟求解界面张力的基本原理。其次,由学生自行设计两相分子模型并编写分子模拟代码。最后,通过实验仿真求解介质/液体和介质/晶体两个界面张力,并理解界面张力与限域晶体的熔点变化规律之间的联系。通过理论联系实践的培养方式,加深学生对基础理论知识的理解,提高学生的学习兴趣,进而塑造良好的科学文化素养。
With the rapid development of computer techniques,molecular modeling has become one of the most important modern teaching facilities in the realm of physical chemistry experiment.Though the example of the estimates of the interfacial tensions using the Irving-Kirkwood approach,aimed at integrating the molecular modeling techniques into the design of the physical chemistry experiment teaching.First,the principles of the estimates of the interfacial tensions using molecular modeling were introduced.Then,the molecular models of two-phase system and the modeling algorithm were developed by students themselves.Finally,by estimating the pore/liquid and pore/crystal interfacial tensions,the relationship between interfacial tension and melting point under confinement was revealed.The training mode of the combining theory with practice not only provided a deep understanding of the theoretical knowledge nodes,but also stimulated students'interest in the physical chemistry learning,and therefore creates a strong scientific cultural literacy.
作者
靳栋梁
JIN Dong-liang(School of Petrochemical Engineering,Changzhou University,Jiangsu Changzhou 213164,China)
出处
《广州化工》
CAS
2024年第8期183-185,共3页
GuangZhou Chemical Industry
基金
常州大学科研基金(No:ZMF23020018)。
关键词
物理化学实验
界面张力
分子模拟
界面现象
Gibbs-Thomson方程
physical chemistry experiment
interfacial tension
molecular modeling techniques
interfaces and interfacial phenomena
Gibbs-Thomson equation
作者简介
第一作者:靳栋梁(1989-),男,博士,主要研究方向为化工热力学。
