The mechanism of transmethylation in anisole decomposition over Brønsted acid sites: density functional theory (DFT) study-Reference-Cited by-同舟云学术

The mechanism of transmethylation in anisole decomposition over Brønsted acid sites: density functional theory (DFT) study

Published:2017 Issue:8 Volume:1 Page:1788-1794
ISSN:2398-4902
Container-title:Sustainable Energy & Fuels
language:en
Short-container-title:Sustainable Energy Fuels

Author:

Zhang Jiajun¹²³⁴⁵^ORCID,Fidalgo Beatriz⁵⁶⁷⁸,Kolios Athanasios⁵⁶⁷⁸,Shen Dekui¹²³⁴^ORCID,Gu Sai⁹¹⁰¹¹⁸

Affiliation:

1. Key Laboratory of Energy Thermal Conversion and Control of Ministry of Education

2. Southeast University

3. Nanjing

4. China

5. School of Water, Energy and Environment

6. Cranfield University

7. Cranfield

8. UK

9. Faculty of Engineering and Physical Sciences

10. University of Surrey

11. Surrey

Abstract

An acid catalyst promotes transmethylation in anisole decomposition through a dual electrophilic attack mechanism, lowering intrinsic energy barriers by up to 60 kcal mol⁻¹.

Funder

National Natural Science Foundation of China

National Natural Science Foundation of Jiangsu Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Energy Engineering and Power Technology,Fuel Technology,Renewable Energy, Sustainability and the Environment

Link

http://pubs.rsc.org/en/content/articlepdf/2017/SE/C7SE00280G

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