هجدهمین کنگره شیمی ایران , 2015-08-30

Title : ( Theoritical study of the adsorption of carbon dioxide on nanostructured nickel catalysts )

Authors: Ali Nakhaei Pour , toktam ameri ,

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Abstract

An explosion of interests in nanocatalysis is to be able to adjust the structure of catalytic materials to obtain the optimal electronic properties for desired chemical reactivity. The mechanisms of surface reaction are very complex and any discover in recognize of these reactions increase the ability of design new active catalytic species. The study of the interaction of molecules with surfaces is the important step in surface reactions. In the process reforming with carbon dioxide in the process of synthesis gas with a ratio of hydrogen to carbon monoxide is equal to 1, according to the following reaction: CH4+CO2↔2CO+2H2 ∆H=247 kj⁄mol This process was introduced in 1928 for the first time, today, due to increased emission o greenhouse gas carbon dioxide in the industry as one of the chemical processes taking carbon dioxide considered. If the process is exactly according to the above reaction without the presence of water is raised as dry reforming. Given the importanc of high-performance Ni catalysts in industrial processes, methane dry reforming, knowing the exact behavior of the surface reactions on the catalyst in order to improve their capabilities are highly regarded. That’s why we think the carbon dioxide adsorption on different levels of Ni catalysts discussed and how adsorption of carbon dioxide on the active sites on different pages of Ni metal that looked full of cubic structure funds centers.

Keywords

, DFT calculations, Ni catalysts, Adsorption
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@inproceedings{paperid:1050218,
author = {Nakhaei Pour, Ali and Ameri, Toktam},
title = {Theoritical study of the adsorption of carbon dioxide on nanostructured nickel catalysts},
booktitle = {هجدهمین کنگره شیمی ایران},
year = {2015},
location = {سمنان, IRAN},
keywords = {DFT calculations; Ni catalysts; Adsorption},
}

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%0 Conference Proceedings
%T Theoritical study of the adsorption of carbon dioxide on nanostructured nickel catalysts
%A Nakhaei Pour, Ali
%A Ameri, Toktam
%J هجدهمین کنگره شیمی ایران
%D 2015

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