摘要
采用巨正则系蒙特卡洛(GCMC)方法研究了温度、压力、竞争吸附对TiO_2吸附甲醛的影响,模拟了空气中主要组分在TiO_2中吸附量随压力和温度的变化特性,模拟结果能被Langmuir吸附等温线拟合。设计实验验证了模拟结果的正确性。对混合气吸附量的模拟表明,水蒸汽对甲醛的竞争吸附最为明显,降低水蒸汽的含量,有利于甲醛气体在催化剂表面的吸附,进而提高甲醛的催化效率。
The effects of temperature,pressure and competitive adsorption on the formaldehyde adsorption by TiO2 are studied by means of Giant Canonical Monte Carlo(GCMC)method.The adsorption characteristics of the main components in air on TiO2 are simulated.The simulation results can be fitted by Langmuir adsorption isotherm.The adsorption experiments on formaldehyde verify the correctness of the simulation results.The simulation on adsorption capacity shows that water has the most obvious competition adsorption against formaldehyde.Reducing the content of water is beneficial to the adsorption of formaldehyde gas on the surface of the catalyst,thus improving the catalytic efficiency of formaldehyde.
作者
李妍
张舸
蒋贞
LI Yan;ZHANG Ge;JIANG Zhen(School of Civil and Resource Engineering,University of Science and Technology Beijing,Beijing 100083,China;Qiaotou Central Primary School,Daoxian County,Yongzhou 425300,China)
出处
《现代化工》
CAS
CSCD
北大核心
2019年第4期207-210,共4页
Modern Chemical Industry
关键词
锐钛矿型TiO2
甲醛
分子模拟
吸附实验
竞争吸附
anatase TiO2
formaldehyde
molecular simulation
adsorption experiment
competitive adsorption
