Insight into Selected Reactions in Low-Temperature Dimethyl Ether Combustion from Born−Oppenheimer Molecular Dynamics-Reference-Cited by-同舟云学术

Insight into Selected Reactions in Low-Temperature Dimethyl Ether Combustion from Born−Oppenheimer Molecular Dynamics

Published:2005-12-09 Issue:4 Volume:110 Page:1393-1407
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Andersen Amity¹,Carter Emily A.²

Affiliation:

1. Accelrys, Inc., 10188 Telesis Court, Suite 100, San Diego, California, 92121

2. Department of Mechanical and Aerospace Engineering and Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544-5263

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp054509y

Reference78 articles.

1. Extraction of the suppression effects of oxygenated fuels on soot formation using a detailed chemical kinetic model

2. A wide range modeling study of dimethyl ether oxidation

3. A hybrid density functional theory study of the low-temperature dimethyl ether combustion pathways. I: Chain-propagation

4. Hybrid Density Functional Theory Predictions of Low-Temperature Dimethyl Ether Combustion Pathways. II. Chain-Branching Energetics and Possible Role of the Criegee Intermediate

Cited by 18 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Reaction mechanism and light gas conversion in pyrolysis and oxidation of dimethyl ether (DME): A ReaxFF molecular dynamics study;Energy;2024-05

2. Zero-Carbon and Carbon-Neutral Fuels: A Review of Combustion Products and Cytotoxicity;Energies;2023-09-09

3. Activation effect of ozone and DME on the partial oxidation of natural gas surrogates and validation of pressure-dependent ozone decomposition;Applications in Energy and Combustion Science;2023-03

4. Reaction Mechanism and Light Gas Conversion in Pyrolysis and Oxidation of Dimethyl Ether (Dme): A Reaxff Molecular Dynamics Study;2023

5. Theoretical correction on the existing understanding for hydroper-oxymethyl formate dissociation in DME low temperature oxidation;Combustion and Flame;2022-07