Thermodynamics for Molecular Engineering

分子工程热力学

• 批准号: 0651983
• 负责人: Jianzhong Wu
• 金额: $ 4万
• 依托单位: University of California-Riverside
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-07-01 至 2009-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0651983&HistoricalAwards=false
• 关键词: Thermodynamics; Molecular; Engineering

The focus of chemical engineering has shifted over the past three decades from macroscopic processes to include advanced materials, environmental protection, biomedical engineering, and microelectronics. This change in focus requires significant renovation for Chemical Engineering Thermodynamics, a required course in standard undergraduate chemical engineering curricula. At present, the thermodynamics courses mainly cover introductory materials and background followed by standard applications for classical chemical industries. While these topics remain useful, they do not reflect important developments in applied chemical thermodynamics since (about) 1975. Currently available textbooks are very good but, while they address important aspects of classical engineering, they do not give adequate attention to application of new thermodynamics, i.e., thermodynamic developments of the last 30 (or so) years. The objective of this work is to contribute toward bringing undergraduate and graduate education in Chemical Engineering Thermodynamics into the twenty-first century. Toward that end, chemical engineering educators need comprehensive descriptions of "new" thermodynamics illustrated with specific examples of applications suitable for undergraduates and beginning graduates. This project will create educational materials (a new textbook with interactive software and classroom problems) that introduce modern topics in applied statistical thermodynamics and molecular simulations. This project was initiated about eight years ago with a two-year award from NSF. The PI and co-PI have prepared a draft for most chapters of the new text, and this award will allow for completion.Intellectual Merit: The contemplated textbook supplements, modernizes, and updates Chemical Engineering Thermodynamics courses by showing a variety of realistic examples for emerging areas of chemical engineering. It covers only "modern" thermodynamics, that is, chemical engineering applications of statistical mechanics including molecular simulations. Thenew text will be distinguished from similar books in physics or chemistry by emphasizing the engineering relevance and the physical (as opposed to mathematical) basis of statistical thermodynamics. Special attention is given to "high-tech" applications of complex systems, including colloids, polymer solutions or blends, thin films, surfactants, and bio-macromolecules. To complement the textbook, free-to-access websites will be developed to provide mathematical details of statistical-mechanical theories and computer programs for molecular simulations.Broader Impact: In the US, about 4000 undergraduate students per year take one or two courses in Chemical Engineering Thermodynamics. At least one course in Chemical Engineering Thermodynamics is required for the BS degree. Introduction of the basic principles of statistical thermodynamics and molecular simulations in undergraduate thermodynamics classes will benefit not only those students who are interested in molecular modeling but also those who plan to work on development and production of advanced materials or those who plan a career in biotechnology or environmental engineering. By creating learning materials and effective teaching and assessing strategies, this work will provide innovative solutions to some of the most challenging problems in undergraduate education in chemical engineering.

在过去的三十年中，化学工程的重点已经从宏观过程中转变为包括高级材料，环境保护，生物医学工程和微电子学。这种重点的变化需要对化学工程热力学进行重大翻新，这是标准本科化学工程课程所需的课程。目前，热力学课程主要涵盖入门材料和背景，然后是经典化学工业的标准应用。尽管这些主题仍然有用，但它们并不能反映1975年（大约）自1975年以来应用化学热力学的重要发展。目前可用的教科书非常好，但尽管它们解决了经典工程的重要方面，但它们并没有充分关注新的热力学的应用，即过去30（左右）（左右）的热力学发展。这项工作的目的是为将化学工程热力学的本科和研究生教育带入二十一世纪做出贡献。为此，化学工程教育者需要对“新”热力学的全面描述，并使用适合本科生和初学者的应用程序的特定示例进行了说明。该项目将创建教育材料（带有交互式软件和课堂问题的新教科书），在应用统计热力学和分子模拟中介绍现代主题。该项目大约在八年前启动，并获得了NSF的两年奖项。 PI和Co-Pi已为新文本的大多数章节准备了草稿，该奖项将允许完成。智能优点：通过展示各种化学工程领域的逼真的示例，通过展示了化学工程热力学课程的预期教科书补充，现代化和更新化学工程热力学课程。它仅涵盖“现代”热力学，即包括分子模拟在内的统计力学的化学工程应用。然后，通过强调统计热力学的工程相关性和物理（而不是数学）基础，将与物理或化学方面的类似书籍区分开。特别注意复杂系统的“高科技”应用，包括胶体，聚合物溶液或混合物，薄膜，表面活性剂和生物巨型分子。为了补充教科书，将开发免费的网站，以提供用于分子模拟的统计机械理论和计算机程序的数学细节。Broader的影响：在美国，每年约4000名本科生参加化学工程热力学的一门或两门课程。 BS学位需要至少一门化学工程热力学课程。引入本科热力学课程中统计热力学和分子模拟的基本原理不仅会使那些对分子建模感兴趣的学生，而且还使计划开发和生产高级材料或计划生物技术或环境工程职业的学生受益。通过创建学习材料和有效的教学和评估策略，这项工作将为化学工程本科教育中一些最具挑战性的问题提供创新的解决方案。