کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
8023375 1517533 2018 30 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Computing the temperature dependence of adsorption selectivity in porous solids
ترجمه فارسی عنوان
محاسبه وابستگی درجه حرارت انتخابی جذب در مواد جامد متخلخل
موضوعات مرتبط
مهندسی و علوم پایه مهندسی مواد فناوری نانو (نانو تکنولوژی)
چکیده انگلیسی
We describe a method that computes gas adsorption equilibria in porous solids, at arrays of temperature and mixture compositions. The method uses an initial dataset of single component adsorption isotherms, obtained either from experiment or grand canonical Monte Carlo simulations. It utilizes the Clausius Clapeyron equation to expand the number of the available isotherms for the adsorbate components at a specified sequence of temperatures. It employs the ideal adsorbed solution theory (IAST) on the expanded data for the complete range of mole fractions in the mixture. We show case the method considering experimental isotherms of CO2 and CH4 adsorption at near ambient temperatures, for an activated carbon cloth, an ordered mesoporous carbon and on the alpha phase of magnesium formate. In the same context, we produce a set of simulated adsorption isotherms for a zeolitic imidazolate framework, namely ZIF69. The adsorbate mixture capacities of CO2 and CH4 on ZIF69, predicted by the IAST method are validated with explicit mixture adsorption simulations performed at the same conditions of interest. The method is appropriate for fast screening the selectivity performance of porous solids aiming to minimize the effort regarding experiments for multicomponent physisorption.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Surface and Coatings Technology - Volume 350, 25 September 2018, Pages 95-100
نویسندگان
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