科技创新与应用2025，Vol.15Issue(11)：105-108,4.DOI:10.19981/j.CN23-1581/G3.2025.11.025
档案库房常见污染气体分子几何构型与特征光谱研究
摘要
Abstract
The latest DA/T 81-2019"Technical Specifications for Air Quality Testing of Archives Warehouse"states that common exogenous pollutants in archives mainly include sulfur dioxide,nitrogen dioxide,ozone,hydrogen sulfide and other factors,and endogenous pollutants include formaldehyde,acetic acid,etc.Based on density functional theory,this paper carries out molecular level characteristics research on six common pollution gases in archives,including sulfur dioxide,nitrogen dioxide,ozone,hydrogen sulfide,formaldehyde,and acetic acid,including molecular bond length,bond angle,energy,dipole moment,orbital energy level distribution and other physical characteristics,as well as molecular infrared spectra,Raman spectra and other characteristic spectra,and analyzes the characteristic frequencies of molecular vibrations,providing important information for the detection of common pollution gases in archives.关键词
污染气体/密度泛函理论/红外光谱/拉曼光谱/分子构型Key words
pollutant gas/density functional theory/infrared spectroscopy/Raman spectroscopy/molecular configuration分类
数理科学引用本文复制引用
敖旷,唐静..档案库房常见污染气体分子几何构型与特征光谱研究[J].科技创新与应用,2025,15(11):105-108,4.基金项目
教育部产学合作协同育人项目(220603584212831) （220603584212831）
