Molecular Dynamics Simulations and Product Vibrational Spectral Analysis for the Reactions of NO2 with 1-Ethyl-3-methylimidazolium Dicyanamide (EMIM+DCA–), 1-Butyl-3-methylimidazolium Dicyanamide (BMIM+DCA–), and 1-Allyl-3-methylimidazolium Dicyanamide (AMIM+DCA

Molecular Dynamics Simulations and Product Vibrational Spectral Analysis for the Reactions of NO2 with 1-Ethyl-3-methylimidazolium Dicyanamide (EMIM+DCA–), 1-Butyl-3-methylimidazolium Dicyanamide (BMIM+DCA–), and 1-Allyl-3-methylimidazolium Dicyanamide (AMIM+DCA–)

Published:2020-05-04 Issue:21 Volume:124 Page:4303-4325
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Liu Jianbo¹^ORCID,Zhou Wenjing¹,Chambreau Steven D.²,Vaghjiani Ghanshyam L.³^ORCID

Affiliation:

1. Department of Chemistry and Biochemistry, Queens College and the Graduate Center of the City University of New York, 65-30 Kissena Boulevard, Queens, New York 11367, United States

2. ERC, Inc., Air Force Research Laboratory, Edwards Air Force Base, California 93524, United States

3. In-Space Propulsion Branch, Rocket Propulsion Division, Aerospace Systems Directorate, Air Force Research Laboratory, AFRL/RQRS, Edwards Air Force Base, California 93524, United States

Funder

Air Force Office of Scientific Research

AFRL/ERC

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c02253

Reference56 articles.

1. Energetic Ionic Liquids as Explosives and Propellant Fuels: A New Journey of Ionic Liquid Chemistry

2. The Second Evolution of Ionic Liquids: From Solvents and Separations to Advanced Materials—Energetic Examples from the Ionic Liquid Cookbook