Confronting the thermodynamics knowledge gap: A short course on computational thermodynamics in Julia

IF 3.5 2区 教育学 Q1 EDUCATION, SCIENTIFIC DISCIPLINES
Luc T. Paoli , Pavan K. Inguva , Andrew J. Haslam , Pierre J. Walker
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引用次数: 0

Abstract

Computational elements in thermodynamics have become increasingly important in contemporary chemical-engineering research and practice. However, traditional thermodynamics instruction provides little exposure to computational thermodynamics, leaving students ill-equipped to engage with the state-of-the-art deployed in industry and academia. The recent rise of easy-to-use open-source thermodynamic codes presents an opportunity for educators to help bridge this gap. In this work, we present a short course that was developed and rolled-out using the Clapeyron.jl package, the material of which is all openly available on GitHub. The course can serve as a foundation for others to similarly integrate computational material in thermodynamics education. The course is structured into three sections. Section one serves as a refresher and covers core material in numerical methods and thermodynamics. Section two introduces a range of thermodynamic models such as activity-coefficient models and cubic equations of state, outlining their implementation. In section three the focus is moved to deployment, guiding students on how to implement computational-thermodynamics methods covering volume solvers, saturation solvers, chemical-stability analysis and flash problems. In a pilot study conducted with both undergraduate and graduate students, participants found the material engaging and highly relevant to their chemical-engineering education.

直面热力学知识鸿沟:朱莉娅计算热力学短期课程
热力学中的计算元素在当代化学工程研究和实践中变得越来越重要。然而,传统的热力学教学很少让学生接触到计算热力学,使他们没有能力接触到工业界和学术界所采用的最新技术。最近,易于使用的开源热力学代码的兴起为教育工作者提供了一个帮助缩小这一差距的机会。在这项工作中,我们介绍了一门使用 Clapeyron.jl 软件包开发和推出的短期课程,该软件包的所有材料均可在 GitHub 上公开获取。这门课程可以作为其他课程的基础,以便在热力学教学中同样整合计算材料。课程分为三个部分。第一部分是复习,涵盖数值方法和热力学的核心材料。第二节介绍了一系列热力学模型,如活度系数模型和立方状态方程,并概述了它们的实施。第三节的重点转向部署,指导学生如何实施计算热力学方法,包括体积求解器、饱和求解器、化学稳定性分析和闪光问题。在对本科生和研究生进行的试点研究中,参与者发现教材引人入胜,与他们的化学工程教育高度相关。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
8.80
自引率
17.90%
发文量
30
审稿时长
31 days
期刊介绍: Education for Chemical Engineers was launched in 2006 with a remit to publisheducation research papers, resource reviews and teaching and learning notes. ECE is targeted at chemical engineering academics and educators, discussing the ongoingchanges and development in chemical engineering education. This international title publishes papers from around the world, creating a global network of chemical engineering academics. Papers demonstrating how educational research results can be applied to chemical engineering education are particularly welcome, as are the accounts of research work that brings new perspectives to established principles, highlighting unsolved problems or indicating direction for future research relevant to chemical engineering education. Core topic areas: -Assessment- Accreditation- Curriculum development and transformation- Design- Diversity- Distance education-- E-learning Entrepreneurship programs- Industry-academic linkages- Benchmarking- Lifelong learning- Multidisciplinary programs- Outreach from kindergarten to high school programs- Student recruitment and retention and transition programs- New technology- Problem-based learning- Social responsibility and professionalism- Teamwork- Web-based learning
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