摘要
丙酮作为一种典型的挥发性有机物,易给环境空气带来不利的影响。文章以ZSM-5分子筛吸附材料作为吸附剂,丙酮分子作为吸附质,选用分子模拟技术,构建了铝原子分数分别为1 at%,2 at%,3 at%,4 at%不同类型的ZSM-5分子筛分子结构模型,从分子层面阐释ZSM-5分子筛与丙酮之间的吸附机理。通过对吸附等温线、吸附热、孔隙率、径向分布函数、扩散系数等研究,结果分析表明,1 at%Si/Al原子比改性的ZSM-5分子筛吸附效果优于其他Si/Al原子比改性的ZSM-5分子筛。
Acetone,as a typical volatile organic compound,is prone to bring adverse effects to the ambient air.This study chose ZSM-5 molecular sieve adsorbent material as the adsorbent and acetone molecule as the adsorbate,and the molecular simulation technique was chosen to construct molecular structure models of ZSM-5 molecular sieve with different types of aluminium atomic fractions of 1 at%,2 at%,3 at%and 4 at%,respectively,to reveal the adsorption mechanism between ZSM-5 molecular sieve and acetone at the molecular level.The analysis of adsorption isotherm,heat of adsorption,porosity,radial distribution function and diffusion coefficient showed that the adsorption effect of ZSM-5 molecular sieve modified by 1 at%Si/Al atomic ratio was better than other modified Si/Al atomic ratios ZSM-5 molecular sieve.
作者
王心宇
于澜
陈艳华
王宇琦
李石
Wang Xinyu;Yu Lan;Chen Yanhua;Wang Yuqi;Li Shi(College of Chemistry and Chemical Engineering,China University of Petroleum;Huludao Ecological Environment Protection Service Center)
出处
《油气田环境保护》
CAS
2022年第6期27-33,共7页
Environmental Protection of Oil & Gas Fields
基金
山东省自然科学基金项目(ZR2017MEE018)。
关键词
分子模拟
吸附
ZSM-5分子筛
丙酮
吸附机理
molecular simulation
adsorption
ZSM-5 molecular sieve
acetone
adsorption mechanism
