کد مقاله کد نشریه سال انتشار مقاله انگلیسی ترجمه فارسی نسخه تمام متن
72072 49011 2016 5 صفحه PDF سفارش دهید دانلود کنید
عنوان انگلیسی مقاله ISI
The predictive power of classical transition state theory revealed in diffusion studies with MOF ZIF-8
ترجمه فارسی عنوان
قدرت پیش بینی تئوری حالت انتقالی کلاسیک در مطالعات انتشار با MOF ZIF-8 نشان داده شده است
کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه مهندسی شیمی کاتالیزور
چکیده انگلیسی


• Reconsidering transition state theory based on new diffusion data.
• Sorption isotherm sufficient for estimating concentration dependence of diffusion.
• Variations of up to two orders of magnitude correctly predicted.
• Systems with necks between cavities as promising candidates for further quests.

Knowledge of the adsorption isotherm is demonstrated to be sufficient for predicting the concentration dependence of the diffusivity of light hydrocarbons in MOF ZIF-8. Guest molecules considered include saturated and unsaturated hydrocarbons and alcohols. Calculations are based on the application of the classical transition state theory (TST). The predictions cover concentration dependences of up to two orders of magnitude in transport diffusion and of one order in self-diffusion. In agreement with TST, self- and corrected (Maxwell–Stefan) diffusivities are seen to coincide.

Figure optionsDownload as PowerPoint slide

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Microporous and Mesoporous Materials - Volume 225, 1 May 2016, Pages 128–132
نویسندگان
, ,