کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
9566731 | 1388371 | 2005 | 9 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Surface topography problem and argon adsorption on crystalline faces: Monte-Carlo and lattice-gas model simulations
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Surface topography problem and argon adsorption on crystalline faces: Monte-Carlo and lattice-gas model simulations Surface topography problem and argon adsorption on crystalline faces: Monte-Carlo and lattice-gas model simulations](/preview/png/9566731.png)
چکیده انگلیسی
The lattice-gas model in the quasi-chemical approximation (QCA) was used for adsorption isotherms and heats of adsorption calculations. The theory considers the surface topography, taking into account the atomic surface structure and the occupancy correlation of different adsorption sites. A comparison between Monte-Carlo and QCA simulations of the adsorption isotherms for argon atoms on three faces (1Â 1Â 0), (1Â 0Â 0) and (1Â 0Â 1) of rutile shows that both techniques give rather similar results with the advantage of QCA calculations being performed in a fraction of the time necessary for the Monte-Carlo simulation.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Applied Surface Science - Volume 252, Issue 3, 31 October 2005, Pages 529-537
Journal: Applied Surface Science - Volume 252, Issue 3, 31 October 2005, Pages 529-537
نویسندگان
J.P. Prates Ramalho, Alexander B. Rabinovich, Denis V. Yeremich, Yuriy K. Tovbin,