介孔材料-酸性红12染料分子体系动力学模型的建立和模拟  

Dynamic modeling and simulation of the mesoporous material and acid red 12~# dye molecule system

作　　者：李天昕[1] 林海[1] 孙大钧[1,2] 宋存义[1] 

机构地区：[1]北京科技大学土木与资源工程学院,北京100083 [2]美国壳牌公司环保部,休斯顿77001,美国

出　　处：《北京科技大学学报》2008年第4期354-358,共5页Journal of University of Science and Technology Beijing

基　　金：北京科技大学校基金重点资助项目(No.NBIC-4)

摘　　要：以酸性红12作为多苯环长链发色有机物的代表,通过对有效扩散系数的测定,确定其在介孔材料颗粒体上的吸附等温式和平衡接近率随时间变化的关系.利用非稳态扩散传质与非稳态热传导过程类比速率方程相似的特点,应用Peterson的热传导近似公式,用计算机求解超越方程,得到了酸性红12在介孔复合材料颗粒内的有效扩散系数并进行了拟合验证,得出该传质过程的主要作用力类型.Acid red 12^#, a long chain multi-benzene ring coloring dye, was used as the representative compound to decide the adsorption isotherm formula of it in a mesoporous material and the relationship between the equilibrium closing rate and time by effective diffusion coefficient testing. Based on the theory of similar rate equations between unsteady diffusion mass transfer and heat conduction, the effective diffusion coefficient of acid red 12^# in the mesoporous material was solved and simulated by using the Peterson heat conduction approximate formula and transcendental equation resolved by computer, which is helpful to study the adsorption mechanism of mesoporous materials.

关 键 词：介孔材料 酸性红 动力学模型 有效扩散系数 非稳态传质 

分 类 号：O359.2[理学—流体力学] X131.2[理学—力学]