University Chemistry ›› 2022, Vol. 37 ›› Issue (6): 2107104.doi: 10.3866/PKU.DXHX202107104

• Between Teacher and Student • Previous Articles     Next Articles

Exploration of Introducing Simulation & Calculation in Modern Analytical Technology Curriculum

Dawei Wen()   

  • Received:2021-07-28 Accepted:2021-08-11 Published:2021-09-13
  • Contact: Dawei Wen E-mail:ontaii@163.com

Abstract:

Modern analytical technology is a curriculum of materials analysis and instrumentation. The basic theories of materials analysis contain microscale objects and complicated mathematical contents. It is uneasy for students to understand the knowledge by the traditional education method. Therefore, the simulation of powder X-ray diffraction and Raman scattering spectrum with computers serve as two teaching examples for the education research. The results demonstrate computational simulation explains the interaction of instruments and materials in an easy, intuitive and visual way, helping students in the future work of engineering or scientific research.

Key words: Crystal, X-ray diffraction, Raman scattering, Simulation of powder diffraction, Density functional theory