Thermal activation of methane by MgO+: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling-Reference-Cited by-同舟云学术

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Thermal activation of methane by MgO+: temperature dependent kinetics, reactive molecular dynamics simulations and statistical modeling

Published:2020 Issue:16 Volume:22 Page:8913-8923
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Sweeny Brendan C.¹²³⁴,Pan Hanqing⁵²³⁴,Kassem Asmaa⁵²³⁴,Sawyer Jordan C.¹²³⁴,Ard Shaun G.⁶²³⁴,Shuman Nicholas S.⁶²³⁴^ORCID,Viggiano Albert A.⁶²³⁴,Brickel Sebastian⁷⁸⁹¹⁰^ORCID,Unke Oliver T.⁷⁸⁹¹⁰^ORCID,Upadhyay Meenu⁷⁸⁹¹⁰^ORCID,Meuwly Markus⁷⁸⁹¹⁰^ORCID

Affiliation:

1. NRC Postdoc at Air Force Research Laboratory

2. Space Vehicles Directorate

3. Kirtland Air Force Base

4. USA

5. USRA Space Scholar at Air Force Research Laboratory

6. Air Force Research Laboratory

7. Department of Chemistry

8. University of Basel

9. CH-4056 Basel

10. Switzerland

Abstract

The kinetics methane activation (MgO⁺ + CH₄) was studied experimentally and computationally by running and analyzing reactive atomistic simulations.

Funder

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

Air Force Office of Scientific Research

National Research Council

Boston College

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2020/CP/D0CP00668H

Reference47 articles.

1. Towards Oil Independence Through Renewable Methanol Chemistry

2. A step closer to a methanol economy

3. Development of Molecular and Solid Catalysts for the Direct Low-Temperature Oxidation of Methane to Methanol

4. Methane-to-Methanol Conversion by First-Row Transition-Metal Oxide Ions: ScO+, TiO+, VO+, CrO+, MnO+, FeO+, CoO+, NiO+, and CuO+

5. Chemistry with Methane: Concepts Rather than Recipes

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