流体界面热力学软件:从理论到指令

IF 2.9 3区 教育学 Q2 CHEMISTRY, MULTIDISCIPLINARY
Qing Wang, Jin Cheng, Baorong Li, Sijie Wang, Yiting Lin*, Haolan Tao, Zheng Xu, Yuanlong Hu, Mingyang Zhu, Hongtu Zhao, Jie Wang, Wenqing Zhang, Cheng Lian* and Honglai Liu*, 
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引用次数: 0

摘要

固液界面的结构和性质长期以来一直是界面科学的中心课题,各种理论方法已经发展到准确描述其中的物种。然而,其中许多方法仍然很复杂,难以在教育环境中实施。在此,我们提出了一个基于网络的流体界面热力学软件平台,该平台具有专门为教育用途设计的用户友好图形界面。该平台集成了几种广泛使用的计算模型,包括泊松-玻尔兹曼,泊松-能斯特-普朗克和经典密度泛函理论。本研究旨在通过让学生,特别是那些没有编程经验的学生,有效地与流体界面模拟进行交互和探索,从而支持界面现象的教学和学习。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Fluid Interface Thermodynamics Software: From Theory to Instruction

The structure and properties of solid–liquid interfaces have long been central topics in interfacial science, and various theoretical methods have been developed to accurately describe the species therein. However, many of these approaches remain complex and difficult to implement in educational contexts. Herein, we present a web-based software platform for fluid interface thermodynamics that features a user-friendly graphical interface specifically designed for educational use. The platform integrates several widely used computational models, including Poisson–Boltzmann, Poisson–Nernst–Planck, and classical density functional theory. This study aims to support the teaching and learning of interfacial phenomena by allowing students, particularly those without programming experience, to effectively interact with and explore fluid interface simulations.

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来源期刊
Journal of Chemical Education
Journal of Chemical Education 化学-化学综合
CiteScore
5.60
自引率
50.00%
发文量
465
审稿时长
6.5 months
期刊介绍: The Journal of Chemical Education is the official journal of the Division of Chemical Education of the American Chemical Society, co-published with the American Chemical Society Publications Division. Launched in 1924, the Journal of Chemical Education is the world’s premier chemical education journal. The Journal publishes peer-reviewed articles and related information as a resource to those in the field of chemical education and to those institutions that serve them. JCE typically addresses chemical content, activities, laboratory experiments, instructional methods, and pedagogies. The Journal serves as a means of communication among people across the world who are interested in the teaching and learning of chemistry. This includes instructors of chemistry from middle school through graduate school, professional staff who support these teaching activities, as well as some scientists in commerce, industry, and government.
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