Theoretical Models for the Rate of NO Decomposition over Copper-Exchanged Zeolites
نویسندگان
چکیده
منابع مشابه
Catalytic Oxidation of Methane into Methanol over Copper-Exchanged Zeolites with Oxygen at Low Temperature
The direct catalytic conversion of methane to liquid oxygenated compounds, such as methanol or dimethyl ether, at low temperature using molecular oxygen is a grand challenge in C-H activation that has never been met with synthetic, heterogeneous catalysts. We report the first demonstration of direct, catalytic oxidation of methane into methanol with molecular oxygen over copper-exchanged zeolit...
متن کاملARTICLES Theoretical Study of CO and NO Vibrational Frequencies in Cu-Water Clusters and Implications for Cu-Exchanged Zeolites
Local spin density functional theory calculations of vibrational frequencies were performed for small Cucontaining complexes in an effort to assess models of exchanged Cu ion sites in zeolites and to help interpret infrared spectroscopy results. Model complexes consisted of Cun+ (n ) 0-2) ions with varying coordination to water ligands and to more realistic fragments of zeolites. Calculated CO ...
متن کاملLETTERS First-Principles Analysis of Elementary Steps in the Catalytic Decomposition of NO by Cu-Exchanged Zeolites
First-principles quantum calculations are potentially of great value for assessing the plausibility of proposed catalytic reaction mechanisms. The present analysis of reaction pathways and energetics for key elementary steps in the catalytic decomposition of NO to N2 + O2 by Cu-exchanged zeolites yields novel insights into this widely studied reaction. We find evidence for a pathway involving t...
متن کاملthe application of multivariate probit models for conditional claim-types (the case study of iranian car insurance industry)
هدف اصلی نرخ گذاری بیمه ای تعیین نرخ عادلانه و منطقی از دیدگاه بیمه گر و بیمه گذار است. تعین نرخ یکی از مهم ترین مسایلی است که شرکتهای بیمه با آن روبرو هستند، زیرا تعیین نرخ اصلی ترین عامل در رقابت بین شرکتها است. برای تعیین حق بیمه ابتدا می باید مقدار مورد انتظار ادعای خسارت برای هر قرارداد بیمه را برآورد کرد. روش عمومی مدل سازی خسارتهای عملیاتی در نظر گرفتن تواتر و شدت خسارتها می باشد. اگر شر...
15 صفحه اولOn the Character of Active Sites in Copper Exchanged Zeolites during NH3-SCR
Nitrogen oxides (NOx) are formed during combustion in diesel engines and one current approach to reduce NOx to N2 is selective catalytic reduction with NH3 as reducing agent (NH3-SCR). To acquire both high activity and selectivity, the active site is often atomically dispersed metal atom, so-called single-site catalysts. In the case of NH3-SCR, one example is Cu-exchanged chabazite (Cu-CHA). Th...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: The Journal of Physical Chemistry B
سال: 1998
ISSN: 1520-6106,1520-5207
DOI: 10.1021/jp982891r