A model of early formation of uranium molecular oxides in laser-ablated plasmas
Abstract
Here, in this work, we present a newly constructed UxOy reaction mechanism that consists of 30 reaction channels (21 of which are reversible channels) for 11 uranium molecular species (including ions). Both the selection of reaction channels and calculation of corresponding rate coefficients is accomplished via a comprehensive literature review and application of basic reaction rate theory. The reaction mechanism is supplemented by a detailed description of oxygen plasma chemistry (19 species and 142 reaction channels) and is used to model an atmospheric laser ablated uranium plume via a 0D (global) model. Finally, the global model is used to analyze the evolution of key uranium molecular species predicted by the reaction mechanism, and the initial stage of formation of uranium oxide species.
- Authors:
-
- University of Illinois at Urbana-Champaign, IL (United States). Department of Nuclear, Plasma, and Radiological Engineering
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Publication Date:
- Research Org.:
- Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1426094
- Report Number(s):
- LLNL-JRNL-739588
Journal ID: ISSN 0022-3727; TRN: US1802219
- Grant/Contract Number:
- AC52-07NA27344
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Journal of Physics. D, Applied Physics
- Additional Journal Information:
- Journal Volume: 50; Journal Issue: 48; Journal ID: ISSN 0022-3727
- Publisher:
- IOP Publishing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEAR CHEMISTRY; 70 PLASMA PHYSICS AND FUSION TECHNOLOGY; plasma chemistry; kinetic modeling; atmospheric pressure plasma; uranium fractionation; laser ablation
Citation Formats
Finko, Mikhail S., Curreli, Davide, Weisz, David G., Crowhurst, Jonathan C., Rose, Timothy P., Koroglu, Batikan, Radousky, Harry B., and Armstrong, Michael R. A model of early formation of uranium molecular oxides in laser-ablated plasmas. United States: N. p., 2017.
Web. doi:10.1088/1361-6463/aa92f5.
Finko, Mikhail S., Curreli, Davide, Weisz, David G., Crowhurst, Jonathan C., Rose, Timothy P., Koroglu, Batikan, Radousky, Harry B., & Armstrong, Michael R. A model of early formation of uranium molecular oxides in laser-ablated plasmas. United States. https://doi.org/10.1088/1361-6463/aa92f5
Finko, Mikhail S., Curreli, Davide, Weisz, David G., Crowhurst, Jonathan C., Rose, Timothy P., Koroglu, Batikan, Radousky, Harry B., and Armstrong, Michael R. Thu .
"A model of early formation of uranium molecular oxides in laser-ablated plasmas". United States. https://doi.org/10.1088/1361-6463/aa92f5. https://www.osti.gov/servlets/purl/1426094.
@article{osti_1426094,
title = {A model of early formation of uranium molecular oxides in laser-ablated plasmas},
author = {Finko, Mikhail S. and Curreli, Davide and Weisz, David G. and Crowhurst, Jonathan C. and Rose, Timothy P. and Koroglu, Batikan and Radousky, Harry B. and Armstrong, Michael R.},
abstractNote = {Here, in this work, we present a newly constructed UxOy reaction mechanism that consists of 30 reaction channels (21 of which are reversible channels) for 11 uranium molecular species (including ions). Both the selection of reaction channels and calculation of corresponding rate coefficients is accomplished via a comprehensive literature review and application of basic reaction rate theory. The reaction mechanism is supplemented by a detailed description of oxygen plasma chemistry (19 species and 142 reaction channels) and is used to model an atmospheric laser ablated uranium plume via a 0D (global) model. Finally, the global model is used to analyze the evolution of key uranium molecular species predicted by the reaction mechanism, and the initial stage of formation of uranium oxide species.},
doi = {10.1088/1361-6463/aa92f5},
journal = {Journal of Physics. D, Applied Physics},
number = 48,
volume = 50,
place = {United States},
year = {Thu Oct 12 00:00:00 EDT 2017},
month = {Thu Oct 12 00:00:00 EDT 2017}
}
Web of Science
Works referenced in this record:
Quantitative micro-analysis by laser-induced breakdown spectroscopy: a review of the experimental approaches
journal, July 2002
- Tognoni, E.; Palleschi, V.; Corsi, M.
- Spectrochimica Acta Part B: Atomic Spectroscopy, Vol. 57, Issue 7
Evaluation of the reaction rate constants for the gas-phase Al-CH 4 –air combustion chemistry
journal, January 2012
- Sharipov, A. S.; Titova, N. S.; Starik, A. M.
- Combustion Theory and Modelling, Vol. 16, Issue 5
Radionuclide Fractionation in Air-Burst Debris
journal, January 1966
- Freiling, E. C.; Kay, M. A.
- Nature, Vol. 209, Issue 5020
Phase discrimination of uranium oxides using laser-induced breakdown spectroscopy
journal, August 2017
- Campbell, Keri R.; Wozniak, Nicholas R.; Colgan, James P.
- Spectrochimica Acta Part B: Atomic Spectroscopy, Vol. 134
Ionization of uranium atoms by electron impact
journal, April 1981
- Halle, Jeffrey C.; Lo, H. H.; Fite, Wade L.
- Physical Review A, Vol. 23, Issue 4
Plasma Kinetics in Atmospheric Gases
book, January 2000
- Capitelli, Mario; Ferreira, Carlos M.; Gordiets, Boris F.
- Springer Series on Atomic, Optical, and Plasma Physics
Negative ion destruction by O( 3 P) atoms and O 2 ( a 1 Δ g ) molecules in an oxygen plasma
journal, June 2005
- Belostotsky, S. G.; Economou, D. J.; Lopaev, D. V.
- Plasma Sources Science and Technology, Vol. 14, Issue 3
Formation of 238 U 16 O and 238 U 18 O observed by time-resolved emission spectroscopy subsequent to laser ablation
journal, July 2017
- Weisz, David G.; Crowhurst, Jonathan C.; Siekhaus, Wigbert J.
- Applied Physics Letters, Vol. 111, Issue 3
Effect of particle size on combustion of aluminum particle dust in air
journal, January 2009
- Huang, Ying; Risha, Grant A.; Yang, Vigor
- Combustion and Flame, Vol. 156, Issue 1
Radionuclide Fractionation in Bomb Debris: The fractionation systematics for high-yield bursts at sea-water and coral surfaces are delineated
journal, June 1961
- Freiling, E. C.
- Science, Vol. 133, Issue 3469
Uranium polarizability measured by light-force technique
journal, February 1994
- Kadar-Kallen, Michael A.; Bonin, Keith D.
- Physical Review Letters, Vol. 72, Issue 6
Solving the Boltzmann equation to obtain electron transport coefficients and rate coefficients for fluid models
journal, October 2005
- Hagelaar, G. J. M.; Pitchford, L. C.
- Plasma Sources Science and Technology, Vol. 14, Issue 4
Rate constants for the quenching of metastable O2(1?g+) molecules
journal, November 1985
- Choo, Kwang Yul; Leu, Ming-Taun
- International Journal of Chemical Kinetics, Vol. 17, Issue 11
Reaction Chemistry in the Afterglow of an Oxygen−Helium, Atmospheric-Pressure Plasma
journal, August 2000
- Jeong, James Y.; Park, Jaeyoung; Henins, Ivars
- The Journal of Physical Chemistry A, Vol. 104, Issue 34
A Comparative Study of Oxo-Ligand Effects in the Gas-Phase Chemistry of Atomic Lanthanide and Actinide Cations
journal, July 1997
- Cornehl, Hans H.; Wesendrup, Ralf; Diefenbach, Martin
- Chemistry - A European Journal, Vol. 3, Issue 7
Calculated absolute cross-sections for the electron-induced detachment of the B2−, O2−, BO−, and CN− anions using the Deutsch-Märk (DM) formalism
journal, November 2008
- Deutsch, H.; Becker, K.; Probst, M.
- International Journal of Mass Spectrometry, Vol. 277, Issue 1-3
A multiphase model for pulsed ns-laser ablation of copper in an ambient gas
conference, January 2012
- Autrique, D.; Chen, Z.; Alexiades, V.
- INTERNATIONAL SYMPOSIUM ON HIGH POWER LASER ABLATION 2012, AIP Conference Proceedings
Laser ablation for analytical sampling: what can we learn from modeling?
journal, November 2003
- Bogaerts, Annemie; Chen, Zhaoyang; Gijbels, Renaat
- Spectrochimica Acta Part B: Atomic Spectroscopy, Vol. 58, Issue 11
Gas-Phase Reactions of U + and U 2+ with O 2 and H 2 O in a Quadrupole Ion Trap
journal, August 2002
- Jackson, Glen P.; King, Fred L.; Goeringer, Douglas E.
- The Journal of Physical Chemistry A, Vol. 106, Issue 34
On the Structure of Al 2 O 3 and Photoelectron Spectra of Al 2 O 2 - and Al 2 O 3 -
journal, February 1999
- Archibong, Edet F.; St-Amant, Alain
- The Journal of Physical Chemistry A, Vol. 103, Issue 8
Calculation of electron impact total ionization cross sections for tungsten, uranium and their oxide radicals
journal, November 2014
- Goswami, Biplab; Naghma, Rahla; Antony, Bobby
- International Journal of Mass Spectrometry, Vol. 372
Physical and Radiochemical Properties of Fallout Particles
journal, January 1966
- Crocker, G. R.; OʼConnor, J. D.; Freiling, E. C.
- Health Physics, Vol. 12, Issue 8
Kinetic scheme of the non-equilibrium discharge in nitrogen-oxygen mixtures
journal, August 1992
- Kossyi, I. A.; Kostinsky, A. Yu; Matveyev, A. A.
- Plasma Sources Science and Technology, Vol. 1, Issue 3
Gas heating in fast pulsed discharges in N 2 –O 2 mixtures
journal, January 2009
- Flitti, A.; Pancheshnyi, S.
- The European Physical Journal Applied Physics, Vol. 45, Issue 2
Kinetic model of a low-pressure N/sub 2/-O/sub 2/ flowing glow discharge
journal, January 1995
- Gordiets, B. F.; Ferreira, C. M.; Guerra, V. L.
- IEEE Transactions on Plasma Science, Vol. 23, Issue 4
O2(Δ1) production in He∕O2 mixtures in flowing low pressure plasmas
journal, September 2004
- Stafford, D. Shane; Kushner, Mark J.
- Journal of Applied Physics, Vol. 96, Issue 5
Elastic scattering of low-energy electrons by a uranium atom: Reliability of theoretical predictions of based on a model description
journal, April 1997
- Grechukhin, D. P.; Lomonosov, A. V.
- Journal of Experimental and Theoretical Physics, Vol. 84, Issue 4
Reaction Rates of Uranium Ions and Atoms with O 2 and N 2
journal, September 1972
- Johnsen, R.; Biondi, Manfred A.
- The Journal of Chemical Physics, Vol. 57, Issue 5
Handbook of Laser‐Induced Breakdown Spectroscopy
book, March 2013
- Cremers, David A.; Radziemski, Leon J.
Associative ionization in U + O and U + O 2 collisions
journal, February 1974
- Fite, W. L.; Lo, H. H.; Irving, P.
- The Journal of Chemical Physics, Vol. 60, Issue 4
Chemical Kinetic Data Sheets for High‐Temperature Chemical Reactions
journal, July 1983
- Cohen, N.; Westberg, K. R.
- Journal of Physical and Chemical Reference Data, Vol. 12, Issue 3
New developments in gas-phase actinide ion chemistry
journal, April 2006
- Gibson, J.; Marcalo, J.
- Coordination Chemistry Reviews, Vol. 250, Issue 7-8
Laser-Induced Breakdown Spectroscopy: Fundamentals, Applications, and Challenges
journal, January 2012
- Anabitarte, F.; Cobo, A.; Lopez-Higuera, J. M.
- ISRN Spectroscopy, Vol. 2012
Combination of atomic lines and molecular bands for uranium optical isotopic analysis in laser induced plasma spectrometry
journal, February 2017
- Mao, Xianglei; Chan, George C. -Y.; Choi, Inhee
- Journal of Radioanalytical and Nuclear Chemistry, Vol. 312, Issue 1
Gas-Phase Oxidation Reactions of Neptunium and Plutonium Ions Investigated via Fourier Transform Ion Cyclotron Resonance Mass Spectrometry
journal, August 2002
- Santos, Marta; Marçalo, Joaquim; Pires de Matos, António
- The Journal of Physical Chemistry A, Vol. 106, Issue 31
Persistence of uranium emission in laser-produced plasmas
journal, April 2014
- LaHaye, N. L.; Harilal, S. S.; Diwakar, P. K.
- Journal of Applied Physics, Vol. 115, Issue 16
Evaluated kinetic and photochemical data for atmospheric chemistry: Volume I - gas phase reactions of O<sub>x</sub>, HO<sub>x</sub>, NO<sub>x</sub> and SO<sub>x</sub> species
journal, January 2004
- Atkinson, R.; Baulch, D. L.; Cox, R. A.
- Atmospheric Chemistry and Physics, Vol. 4, Issue 6
Kinetic Model for Aluminum-Sensitized Ram Accelerator Combustion
journal, March 2003
- Catoire, Laurent; Legendre, Jean-Francois; Giraud, Marc
- Journal of Propulsion and Power, Vol. 19, Issue 2
Parameterization of the average dipole orientation theory: temperature dependence
journal, June 1975
- Su, Timothy; Bowers, Michael T.
- International Journal of Mass Spectrometry and Ion Physics, Vol. 17, Issue 2
Cross Sections for Collisions of Electrons and Photons with Atomic Oxygen
journal, May 1990
- Itikawa, Y.; Ichimura, A.
- Journal of Physical and Chemical Reference Data, Vol. 19, Issue 3
Standoff Detection of Uranium and its Isotopes by Femtosecond Filament Laser Ablation Molecular Isotopic Spectrometry
journal, March 2017
- Hartig, Kyle C.; Ghebregziabher, Isaac; Jovanovic, Igor
- Scientific Reports, Vol. 7, Issue 1
The permanent electric dipole moments and magnetic g factors of uranium monoxide
journal, November 2006
- Heaven, Michael C.; Goncharov, Vasiliy; Steimle, Timothy C.
- The Journal of Chemical Physics, Vol. 125, Issue 20
Evolution of uranium monoxide in femtosecond laser-induced uranium plasmas
journal, January 2017
- Hartig, Kyle C.; Harilal, Sivanandan S.; Phillips, Mark C.
- Optics Express, Vol. 25, Issue 10
Theoretical study on the reaction between uranium and O2
journal, February 2001
- Shuai, Maobing; Hairong, Hu; Xin, Wang
- Journal of Molecular Structure: THEOCHEM, Vol. 536, Issue 2-3
Ab initio study on the reaction of uranium with oxygen
journal, February 2013
- Zeng, Xiu-Lin; Huang, Shan-Qisong; Ju, Xue-Hai
- Journal of Radioanalytical and Nuclear Chemistry, Vol. 298, Issue 1
Reactions of pulsed‐laser evaporated uranium atoms with molecular oxygen: Infrared spectra of UO, UO 2 , UO 3 , UO 2 + , UO 2 2+ , and UO 3 –O 2 in solid argon
journal, March 1993
- Hunt, Rodney D.; Andrews, Lester
- The Journal of Chemical Physics, Vol. 98, Issue 5
Ion-Polar molecule collisions: the effect of ion size on ion-polar molecule rate constants; the parameterization of the average-dipole-orientation theory
journal, November 1973
- Su, Timothy; Bowers, Michael T.
- International Journal of Mass Spectrometry and Ion Physics, Vol. 12, Issue 4
Reactions of U+ and UO+ with O2, CO, CO2, COS, CS2 and D2O
journal, August 1980
- Armentrout, P. B.; Beauchamp, J. L.
- Chemical Physics, Vol. 50, Issue 1
Influence of Ambient Gas on Laser-Induced Breakdown Spectroscopy of Uranium Metal
journal, November 2015
- Zhang, Dacheng; Ma, Xinwen; Wang, Shulong
- Plasma Science and Technology, Vol. 17, Issue 11
Associative ionization of uranium atoms and oxygen molecules
journal, December 1980
- Halle, Jeffrey C.; Lo, H. H.; Fite, W. L.
- The Journal of Chemical Physics, Vol. 73, Issue 11
Matrix isolation infrared spectra of O2 and N2 insertion reactions with atomic uranium
conference, January 1993
- Hunt, Rodney D.; Toth, L. Mac; Yustein, Jason T.
- Laser ablation: mechanisms and applications—II, AIP Conference Proceedings
Femtosecond Laser Ablation: Fundamentals and Applications
book, January 2014
- Harilal, Sivanandan S.; Freeman, Justin R.; Diwakar, Prasoon K.
- Springer Series in Optical Sciences
Works referencing / citing this record:
Gas Phase Chemical Evolution of Uranium, Aluminum, and Iron Oxides
journal, July 2018
- Koroglu, Batikan; Wagnon, Scott; Dai, Zurong
- Scientific Reports, Vol. 8, Issue 1
Simulation of uranium plasma plume dynamics in atmospheric oxygen produced via femtosecond laser ablation
journal, August 2018
- Finko, Mikhail S.; Curreli, Davide
- Physics of Plasmas, Vol. 25, Issue 8
Plume dynamics and gas-phase molecular formation in transient laser-produced uranium plasmas
journal, August 2019
- Skrodzki, P. J.; Burger, M.; Jovanovic, I.
- Physics of Plasmas, Vol. 26, Issue 8
Laser-produced uranium plasma characterization and Stark broadening measurements
journal, September 2019
- Burger, M.; Skrodzki, P. J.; Jovanovic, I.
- Physics of Plasmas, Vol. 26, Issue 9