کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
9577280 1505189 2005 6 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Is there a coupling between rotational and translational motion of methane in silicalite-1 and AlPO4-5?
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
Is there a coupling between rotational and translational motion of methane in silicalite-1 and AlPO4-5?
چکیده انگلیسی
Methane, although often treated approximately as a spherical Lennard-Jones particle, has merely a tetrahedral shape. While moving in zeolites, the interaction of the molecule with the walls will cause a fluctuating angular momentum of this guest molecule. In zeolites containing channels, as it is the case with silicalite-1 or AlPO4-5, adsorbed guest molecules move along channels and change to other channel types at channel intersections. The question arises whether or not the corrugation of the zeolite channels leads to a coupling of rotational and translational motions. It shall be shown, however, that for methane in silicalite-1 and AlPO4-5 the two kinds of motion are uncoupled. The relaxation behavior of translational and angular momentum shows different patterns, although in both cases the relaxation time is on the same order of magnitude.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics Letters - Volume 411, Issues 4–6, 15 August 2005, Pages 423-428
نویسندگان
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