基于DFT计算与虚实融合的《工业催化》数字化教学改革与实践
Teaching Reform and Practice of Industrial Catalysis Based on DFT Calculations and Virtual-Real Integration
花秀夫 1代孟池 1王玲玲 1郑晓燕 1危仁波1
作者信息
摘要
针对化学工程与工艺专业高年级本科生在《工业催化》课程学习中存在的微观机理抽象、前沿工具缺位、工程创新训练不足等问题，提出将密度泛函理论（DFT）计算融入课程的数字化教学改革方案。改革以操作应用和机理解释为教学深度定位，不以复杂量子化学理论推导为重点；通过在线资源、分子可视化、虚拟仿真与DFT计算任务协同，构建"理论学习-计算分析-实验验证-方案优化"的虚实融合教学路径，并从课程内容嵌入、实验体系重构、多元评价改革、分层资源建设四个维度进行实践。教学反馈表明，该方案有助于提升学生对催化微观机理的理解、增强现代工具应用意识，并缩短学生进入科研训练后的能力适配周期，可为化工类核心课程的数字化教学改革提供参考。
Abstract
To address the pain points in traditional course teaching of "Industrial Catalysis", such as abstract microscopic mechanisms, lack of cutting-edge tools, and insufficient cultivation of engineering innovation capabilities, this paper proposes a digital teaching reform plan by introducing Density Functional Theory (DFT) calculations into the curriculum. It systematically elaborates on the pedagogical value of DFT calculations in mechanism visualization, experimental condition supplementation, and preliminary research capability development. Specific implementation pathways are outlined across four dimensions: curriculum content integration, construction of a virtual-real hybrid experimental system, diversified assessment reform, and hierarchical resource development. Multiple rounds of teaching practice have verified that this approach significantly enhances students\' understanding of catalytic microscopic mechanisms, stimulates learning interest, effectively shortens the adaptation period for research positions. This teaching reform provides a practical reference for the digital transformation of core chemical engineering courses.关键词
工业催化/DFT计算/虚实融合/数字化教学/教学改革Key words
Industrial catalysis/DFT calculation/virtual-real integration/digital teaching/teaching reform引用本文复制引用
花秀夫,代孟池,王玲玲,郑晓燕,危仁波.基于DFT计算与虚实融合的《工业催化》数字化教学改革与实践[EB/OL].(2026-09-29)[2026-10-01].http://www.paper.edu.cn/releasepaper/content/202609-36.学科分类
化学工业概论
