کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9617574 | 49170 | 2005 | 14 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Molecular dynamics simulations of the adsorption and diffusion behavior of pure and mixed alkanes in silicalite
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
مهندسی شیمی
کاتالیزور
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Molecular dynamics simulations of the adsorption and diffusion behavior of pure and mixed alkanes in silicalite Molecular dynamics simulations of the adsorption and diffusion behavior of pure and mixed alkanes in silicalite](/preview/png/9617574.png)
چکیده انگلیسی
The adsorption and diffusion of mixed hydrocarbon components in silicalite have been studied using molecular dynamic simulation methods. We have investigated the effect of molecular loadings and temperature on the diffusional behavior of both pure and mixed alkane components. For binary mixtures with components of similar sizes, molecular diffusional behavior in the channels was noticed to be reversed as loading is increased. This behavior was noticeably absent for components of different sizes in the mixture. Methane molecules in the methane/propane mixture have the highest diffusion coefficients across the entire loading range. Binary mixtures containing ethane molecules prove more difficult to separate compared to other binary components. In the ternary mixture, however, ethane molecules diffuse much faster at 400Â K in the channel with a tendency to separate out quickly from other components.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Microporous and Mesoporous Materials - Volume 85, Issues 1â2, 23 October 2005, Pages 143-156
Journal: Microporous and Mesoporous Materials - Volume 85, Issues 1â2, 23 October 2005, Pages 143-156
نویسندگان
I. Hussain, J.O. Titiloye,