In silico kinetics of alkaline hydrolysis of 1,3,5-trinitro-1,3,5-triazinane (RDX): M06-2X investigation

Author:

Sviatenko L. K.1234ORCID,Gorb L.5678,Leszczynska D.91011128,Okovytyy S. I.1314154,Shukla M. K.1678,Leszczynski J.91711128

Affiliation:

1. Department of General and Biological Chemistry N2

2. Donetsk National Medical University

3. Kropyvnytskyi

4. Ukraine

5. HX5

6. LLC

7. Vicksburg

8. USA

9. Interdisciplinary Center for Nanotoxicity

10. Department of Civil and Environmental Engineering

11. Jackson State University

12. Jackson

13. Department of Organic Chemistry

14. Oles Honchar Dnipropetrovsk National University

15. Dnipropetrovsk

16. US Army ERDC

17. Department of Chemistry and Biochemistry

Abstract

The kinetics of alkaline hydrolysis of 1,3,5-trinitro-1,3,5-triazinane were predicted under different conditions.

Funder

Engineer Research and Development Center

Publisher

Royal Society of Chemistry (RSC)

Subject

Management, Monitoring, Policy and Law,Public Health, Environmental and Occupational Health,Environmental Chemistry,General Medicine

Reference29 articles.

1. H. Abadin , C.Smith, L.Ingerman, F. T.Llados, L. E.Barber, DPlewak and G. L.Diamond, Toxicological Profile for RDX, Agency for Toxic Substances and Disease Registry (ATSDR), U.S. Department of Health and Human Services, Atlanta, GA, 2012

2. Technical Fact Sheet – Hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), EPA 505-F-14–008, United States Environmental Protection Agency (USEPA), 2014

3. Biodegradation of RDX within soil-water slurries using a combination of differing redox incubation conditions

4. Molasses enhanced phyto and bioremediation treatability study of explosives contaminated Hawaiian soils

5. Kinetics of RDX degradation by zero-valent iron (ZVI)

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