Abstract
Previous efforts to model uranyl fluoride formation in an impinging jet gas reactor underpredicted spatial mixing and overpredicted chemical conversion into particulates. The previous fluid dynamics model was based on the solution of the Reynolds Averaged Navier Stokes equations. After simulating fluid dynamics, aerosol dynamics were superimposed onto CFD-simulated gas reactant species concentrations. The current work explores the influence of complex unsteady flow features on the overall flow physics and chemistry for a low Reynolds number, opposed flow, impinging jet gas reactor where there is a low Reynolds number cross flow. The objective of this study was to assess the impact of model formulation on scalar mixing and transport. Transient flow simulations were performed using Scale Resolving Simulations. Large-Eddy Simulations with the dynamic Smagorinsky turbulence model were performed along with simulations which directly resolved the flow. Average and root-mean-square (RMS) velocities and species concentrations were computed along with modeled and resolved turbulence kinetic energy (TKE), modeled turbulence dissipation, and modeled turbulent viscosity. Lagrangian flow tracers were also used to quantify species concentrations along path lines emanating from the jet tips. Transient simulation data were compared to results from RANS simulations using the k-ω shear stress transport (SST) model and Reynolds Stress Model (RSM). Transient simulations showed spatial mixing patterns which were more consistent with experimental data and helped elucidate the process of particle formation observed in experiments.
References
1.
Cheng
,
M.-D.
,
Richards
,
J. M.
,
Omana
,
M. A.
,
Hubbard
,
J. A.
, and
Fugate
,
G. A.
, 2020
, “
Experimental and Computational Study of Particle Formation Kinetics in UF6 Hydrolysis
,” React. Chem. Eng.
,
5
(9
), pp. 1708
–1718
.10.1039/D0RE00207K2.
Richards
,
J. M.
,
Martin
,
L. R.
,
Fugate
,
G. A.
, and
Cheng
,
M.-D.
, 2020
, “
Kinetic Investigation of the Hydrolysis of Uranium Hexafluoride Gas
,” RSC Adv.
,
10
(57
), pp. 34729
–34731
.10.1039/D0RA05520D3.
Lutz
,
J. J.
,
Byrd
,
J. N.
,
Lotrich
,
V. F.
,
Jensen
,
D. S.
,
Zador
,
J.
, and
Hubbard
,
J. A.
, 2022
, “
A Theoretical Investigation of the Hydrolysis of Uranium Hexafluoride: The Initiation Mechanism and Vibrational Spectroscopy
,” Phys. Chem. Chem. Phys.
,
24
(16
), pp. 9634
–9647
.10.1039/D1CP05268C4.
Garrison
,
S. L.
, and
Becnel
,
J. M.
, 2008
, “
Transition State for the Gas-Phase Reaction of Uranium Hexafluoride With Water
,” J. Phys. Chem. A
,
112
(24
), pp. 5453
–5457
.10.1021/jp801524v5.
Hu
,
S.-W.
,
Wang
,
X.-Y.
,
Chu
,
T.-W.
, and
Liu
,
X.-Q.
, 2008
, “
Theoretical Mechanism Study of UF6 Hydrolysis in the Gas Phase
,” J. Phys. Chem. A
,
112
(37
), pp. 8877
–8883
.10.1021/jp804797a6.
Hu
,
S.-W.
,
Wang
,
X.-Y.
,
Chu
,
T.-W.
, and
Liu
,
X.-Q.
, 2009
, “
Theoretical Mechanism Study of UF6 Hydrolysis in the Gas Phase (II
),” J. Phys. Chem. A
,
113
(32
), pp. 9243
–9248
.10.1021/jp904655w7.
Lind
,
M. C.
,
Garrison
,
S. L.
, and
Becnel
,
J. M.
, 2010
, “
Trimolecular Reactions of Uranium Hexafluoride With Water
,” J Phys Chem A
,
114
(13
), pp. 4641
–4646
.10.1021/jp909368g8.
Hu
,
S.-W.
,
Lin
,
H.
,
Wang
,
X.-Y.
, and
Chu
,
T.-W.
, 2014
, “
Effect of H2O on the Hydrolysis of UF6 in the Gas Phase
,” J. Mol. Struct.
,
1062
, pp. 29
–34
.10.1016/j.molstruc.2014.01.0159.
Hubbard
,
J. A.
,
Cheng
,
M.-D.
,
Cheung
,
L.
,
Kirsch
,
J. R.
,
Richards
,
J. M.
, and
Fugate
,
G. A.
, 2021
, “
UO2F2 Particulate Formation in an Impinging Jet Gas Reactor
,” React. Chem. Eng.
,
6
(8
), pp. 1428
–1447
.10.1039/D1RE00105A10.
Proulx
,
P.
, and
Bilodeau
,
J. F.
, 1991
, “
A Model for Ultrafine Powder Production in a Plasma Reactor
,” Plasma Chem. Plasma P
,
11
(3
), pp. 371
–386
.10.1007/BF0145891711.
Balabanova
,
E. G.
, 1998
, “
Role of the Mixing Process in a Flow Plasma Reactor for Ultrafine Powder Production
,” High Temp. High Pressures (Print
),
30
(4
), pp. 493
–500
.10.1068/htrt13912.
Hubbard
,
J. A.
,
Omana
,
M. A.
, and
Cheng
,
M.-D.
, 2020
, “
Aerosol Dynamics Modeling With Chemkin-Pro Surface-Kinetics User-Routines
,” ASME J. Therm. Sci. Eng. Appl.
,
12
(4
), p. 041007
.10.1115/1.404560713.
Hinds
,
W. C.
, 1999
, Aerosol Technology: Properties, Behavior, and Measurement of Airborne Particles
,
Wiley
,
New York
.14.
Rehage
,
H.
,
Orthey
,
J.
, and
Kind
,
M.
, 2021
, “
On the Complete Similitude of Technical Precipitation. Part I: Impinging Mixers
,” Chem. Eng. J.
,
415
, p. 129047
.10.1016/j.cej.2021.12904715.
Krupa
,
K.
,
Sultan
,
M. A.
,
Fonte
,
C. P.
,
Nunes
,
M. I.
,
Dias
,
M. M.
,
Lopes
,
J. C. B.
, and
Santos
,
R. J.
, 2012
, “
Characterization of Mixing in T-Jets Mixers
,” Chem. Eng. J.
,
207-208
, pp. 931
–937
.10.1016/j.cej.2012.07.06216.
Lindenberg
,
C.
, and
Mazzotti
,
M.
, 2009
, “
Experimental Characterization and Multi-Scale Modeling of Mixing in Static Mixers. Part 2. Effect of Viscosity and Scale-Up
,” Chem. Eng. Sci.
,
64
(20
), pp. 4286
–4294
.10.1016/j.ces.2009.06.06717.
Liu
,
Y.
, and
Fox
,
R. O.
, 2006
, “
CFD Predictions for Chemical Processing in a Confined Impinging-Jets Reactor
,” AICHE J.
,
52
(2
), pp. 731
–744
.10.1002/aic.1063318.
Schwertfirm
,
F.
,
Gradl
,
J.
,
Schwarzer
,
H. C.
,
Peukert
,
W.
, and
Manhart
,
M.
, 2007
, “
The Low Reynolds Number Turbulent Flow and Mixing in a Confined Impinging Jet Reactor
,” Int. J. Heat Fluid Flow
,
28
(6
), pp. 1429
–1442
.10.1016/j.ijheatfluidflow.2007.04.01919.
Gillian
,
J. M.
, and
Kirwan
,
D. J.
, 2008
, “
Identification and Correlation of Mixing Times in Opposed-Jet Mixers
,” Chem. Eng. Commun.
,
195
(12
), pp. 1553
–1574
.10.1080/0098644080211561420.
Fonte
,
C. P.
,
Sultan
,
M. A.
,
Santos
,
R. J.
,
Dias
,
M. M.
, and
Lopes
,
J. C. B.
, 2015
, “
Flow Imbalance and Reynolds Number Impact on Mixing in Confined Impinging Jets
,” Chem. Eng. J.
,
260
, pp. 316
–330
.10.1016/j.cej.2014.08.09021.
Gavi
,
E.
,
Marchisio
,
D. L.
, and
Barresi
,
A. A.
, 2007
, “
CFD Modelling and Scale-Up of Confined Impinging Jet Reactors
,” Chem. Eng. Sci.
,
62
(8
), pp. 2228
–2241
.10.1016/j.ces.2006.12.07722.
Icardi
,
M.
,
Gavi
,
E.
,
Marchisio
,
D. L.
,
Barresi
,
A. A.
,
Olsen
,
M. G.
,
Fox
,
R. O.
, and
Lakehal
,
D.
, 2011
, “
Investigation of the Flow Field in a three-Dimensional Confined Impinging Jets Reactor by Means of microPIV and DNS
,” Chem. Eng. J.
,
166
(1
), pp. 294
–305
.10.1016/j.cej.2010.09.04623.
Marchisio
,
D. L.
, 2009
, “
Large Eddy Simulation of Mixing and Reaction in a Confined Impinging Jets Reactor
,” Comput. Chem. Eng.
,
33
(2
), pp. 408
–420
.10.1016/j.compchemeng.2008.11.00924.
Marchisio
,
D. L.
,
Rivautella
,
L.
, and
Barresi
,
A. A.
, 2006
, “
Design and Scale-Up of Chemical Reactors for Nanoparticle Precipitation
,” AICHE J.
,
52
(5
), pp. 1877
–1887
.10.1002/aic.1078625.
Siddiqui
,
S. W.
,
Zhao
,
Y. A.
,
Kukukova
,
A.
, and
Kresta
,
S. M.
, 2009
, “
Characteristics of a Confined Impinging Jet Reactor: Energy Dissipation, Homogeneous and Heterogeneous Reaction Products, and Effect of Unequal Flow
,” Ind. Eng. Chem. Res.
,
48
(17
), pp. 7945
–7958
.10.1021/ie801562y26.
Johnson
,
B. K.
, and
Prud'homme
,
R. K.
, 2003
, “
Chemical Processing and Micromixing in Confined Impinging Jets
,” AICHE J.
,
49
(9
), pp. 2264
–2282
.10.1002/aic.69049090527.
Cooper
,
D.
,
Jackson
,
D. C.
,
Launder
,
B. E.
, and
Liao
,
G. X.
, 1993
, “
Impinging Jet Studies for Turbulence Model Assessment. 1. Flow Field Experiments
,” Int. J. Heat Mass. Transfer
,
36
(10
), pp. 2675
–2684
.10.1016/S0017-9310(05)80204-228.
Lee
,
J.
, and
Lee
,
S. J.
, 1999
, “
Stagnation Region Heat Transfer of a Turbulent Axisymmetric Jet Impingement
,” Exp. Heat Transfer
,
12
(2
), pp. 137
–156
.10.1080/08916159926975329.
Zuckerman
,
N.
, and
Lior
,
N.
, 2005
, “
Impingement Heat Transfer: Correlations and Numerical Modeling
,” J. Heat Trans-T ASME
,
127
(5
), pp. 544
–552
.10.1115/1.186192130.
Jambunathan
,
K.
,
Lai
,
E.
,
Moss
,
M. A.
, and
Button
,
B. L.
, 1992
, “
A Review of Heat Transfer Data for Single Circular Jet Impingement
,” Int. J. Heat Fluid Flow
,
13
(2
), pp. 106
–115
.10.1016/0142-727X(92)90017-431.
Donaldson
,
C. D.
, and
Snedeker
,
R. S.
, 1971
, “
Study of Free Jet Impingement. 1. Mean Properties
,” J. Fluid Mech.
,
45
(02
), p. 281
. +.10.1017/S002211207100005332.
Craft
,
T. J.
,
Graham
,
L. J. W.
, and
Launder
,
B. E.
, 1993
, “
Impinging Jet Studies for Turbulence Model Assessment. 2. Examination of Turbulence Models
,” Int. J. Heat Mass. Transfer
,
36
(10
), pp. 2685
–2697
.10.1016/S0017-9310(05)80205-433.
Behnia
,
M.
,
Parneix
,
S.
,
Shabany
,
Y.
, and
Durbin
,
P. A.
, 1999
, “
Numerical Study of Turbulent Heat Transfer in Confined and Unconfined Impinging Jets
,” Int. J. Heat Fluid Flow
,
20
(1
), pp. 1
–9
.10.1016/S0142-727X(98)10040-134.
Baughn
,
J. W.
, and
Shimizu
,
S.
, 1989
, “
Heat Transfer Measurements From a Surface With Uniform Heat Flux and an Impinging Jet
,” J. Heat Trans-T ASME
,
111
(4
), pp. 1096
–1098
.10.1115/1.325077635.
Hadziabdic
,
M.
, and
Hanjalic
,
K.
, 2008
, “
Vortical Structures and Heat Transfer in a Round Impinging Jet
,” J. Fluid Mech.
,
596
, pp. 221
–260
.10.1017/S002211200700955X36.
Huber
,
A. M.
, and
Viskanta
,
R.
, 1994
, “
Effect of Jet-Jet Spacing on Convective Heat-Transfer to Confined, Impinging Arrays of Axisymmetrical Air-Jets
,” Int. J. Heat Mass Transfer
,
37
(18
), pp. 2859
–2869
.10.1016/0017-9310(94)90340-937.
Nishino
,
K.
,
Samada
,
M.
,
Kasuya
,
K.
, and
Torii
,
K.
, 1996
, “
Turbulence Statistics in the Stagnation Region of an Axisymmetric Impinging Jet Flow
,” Int. J. Heat Fluid Flow
,
17
(3
), pp. 193
–201
.10.1016/0142-727X(96)00040-938.
Rovira
,
M.
,
Engvall
,
K.
, and
Duwig
,
C.
, 2020
, “
Review and Numerical Investigation of the Mean Flow Features of a Round Turbulent Jet in Counterflow
,” Phys. Fluids
,
32
(4
), p. 045102
.10.1063/5.000323939.
Koller-Milojevie
,
D.
, and
Schneider
,
W.
, 1993
, “
Free and Confined Jets at Low Reynolds Numbers
,” Fluid Dyn. Res.
,
12
(6
), pp. 307
–322
.10.1016/0169-5983(93)90033-740.
Nadeau
,
P.
,
Berk
,
D.
, and
Munz
,
R. J.
, 2001
, “
Mixing in a Cross-Flow-Impinging Jet Reactor
,” AICHE J.
,
47
(3
), pp. 536
–544
.10.1002/aic.69047030441.
Zhao
,
Y.
, and
Brodkey
,
R. S.
, 1998
, “
Averaged and Time-Resolved, Full-Field (Three-Dimensional), Measurements of Unsteady Opposed Jets
,” Can. J. Chem. Eng.
,
76
(3
), pp. 536
–545
.10.1002/cjce.545076032642.
Pawlowski
,
R. P.
,
Salinger
,
A. G.
,
Shadid
,
J. N.
, and
Mountziaris
,
T. J.
, 2006
, “
Bifurcation and Stability Analysis of Laminar Isothermal Counterflowing Jets
,” J. Fluid Mech.
,
551
(-1
), pp. 117
–139
.10.1017/S002211200500839643.
Li
,
W.-F.
,
Yao
,
T.-L.
,
Liu
,
H.-F.
, and
Wang
,
F.-C.
, 2011
, “
Experimental Investigation of Flow Regimes of Axisymmetric and Planar Opposed Jets
,” AICHE J.
,
57
(6
), pp. 1434
–1445
.10.1002/aic.1236944.
Nadeau
,
P.
,
Berk
,
D.
, and
Munz
,
R. J.
, 2003
, “
Ammonium Chloride Aerosol Nucleation and Growth in a Cross-Flow Impinging Jet Reactor
,” Aerosol Sci. Tech.
,
37
(1
), pp. 82
–95
.10.1080/0278682030089645.
Kartaev
,
EV.
,
Emel'kin
,
V. A.
,
Ktalkherman
,
MG.
,
Kuz'min
,
V. I.
,
Aul'chenko
,
S. M.
, and
Vashenko
,
S. P.
, 2014
, “
Analysis of Mixing of Impinging Radial Jets With Crossflow in the Regime of Counter Flow Jet Formation
,” Chem. Eng. Sci.
,
119
, pp. 1
–9
.10.1016/j.ces.2014.07.06246.
Kartaev
,
E. V.
,
Emelkin
,
V. A.
,
Ktalkherman
,
M. G.
,
Aulchenko
,
S. M.
, and
Vashenko
,
S. P.
, 2018
, “
Upstream Penetration Behavior of the Developed Counter Flow Jet Resulting From Multiple Jet Impingement in the Crossflow of Cylindrical Duct
,” Int. J. Heat Mass Transfer
,
116
, pp. 1163
–1178
.10.1016/j.ijheatmasstransfer.2017.09.11147.
Kartaev
,
E. V.
,
Emelkin
,
V. A.
,
Ktalkherman
,
M. G.
,
Aulchenko
,
S. M.
,
Vashenko
,
S. P.
, and
Kuzmin
,
V. I.
, 2015
, “
Formation of Counter Flow Jet Resulting From Impingement of Multiple Jets Radially Injected in a Crossflow
,” Exp. Therm. Fluid Sci.
,
68
, pp. 310
–321
.10.1016/j.expthermflusci.2015.05.00948.
Stan
,
G.
, 2000
, “
Fundamental Characteristics of Turbulent Opposed Impinging Jets
,” UWSpace.49.
Stan
,
G.
, and
Johnson
,
D. A.
, 2001
, “
Experimental and Numerical Analysis of Turbulent Opposed Impinging Jets
,” AIAA J.
,
39
(10
), pp. 1901
–1908
.10.2514/2.120550.
Im
,
Y. H.
,
Huh
,
K. Y.
, and
Kim
,
K.-Y.
, 2002
, “
Analysis of Impinging and Countercurrent Stagnating Flows by Reynolds Stress Model
,” ASME J. Fluids Eng.
,
124
(3
), pp. 706
–718
.10.1115/1.149381551.
Korusoy
,
E.
, and
Whitelaw
,
J. H.
, 2004
, “
Inviscid, Laminar and Turbulent Opposed Flows
,” Int. J. Numer. Methods Fluids
,
46
(11
), pp. 1069
–1098
.10.1002/fld.78352.
Johansson
,
P. S.
, and
Andersson
,
H. I.
, 2005
, “
Direct Numerical Simulation of Two Opposing Wall Jets
,” Phys Fluids
,
17
(5
), p. 055109
.10.1063/1.192062753.
Lindstedt
,
R. P.
,
Luff
,
D. S.
, and
Whitelaw
,
J. H.
, 2005
, “
Velocity and Strain-Rate Characteristics of Opposed Isothermal Flows
,” Turbul. Combust.
,
74
(2
), pp. 169
–194
.10.1007/s10494-005-4130-654.
ANSYS, Inc.
, 2021
, “
ANSYS Fluent Theory Guide Release 2021 R2
,” Software Manual
,
ANSYS, Inc
,
Canonsburg, PA
.55.
Hubbard
,
J. A.
,
Hansen
,
M. A.
,
Kirsch
,
J. R.
,
Hewson
,
J. C.
, and
Domino
,
S. P.
, 2022
, “
Medium-Scale Methanol Pool Fire Model Validation
,” J. Heat Trans-T ASME
,
144
(6
)10.1115/1.405420456.
Aro
,
C.
,
Black
,
A.
,
Brown
,
A.
,
Burns
,
S.
,
Cochran
,
B.
,
Domino
,
S.
,
Evans
,
G.
, et al., 2018
, Sierra Fuego Theory Manual – Version 4.50
,
Sandia National Laboratories
,
Albuquerque, New Mexico
.57.
Domino
,
S.
,
Moen
,
C. D.
,
Burns
,
S. P.
, and
Evans
,
G. H.
, 2003
, “
SIERRA/Fuego: A Multi-Mechanics Fire Environment Simulation Tool
,” AIAA
Paper No. 2003-149.10.2514/6.2003-14958.
Domino
,
S.
,
Hewson
,
J.
,
Knaus
,
R.
, and
Hansen
,
M.
, 2021
, “
Predicting Large-Scale Pool Fire Dynamics Using an Unsteady Flamelet- and Large-Eddy Simulation-Based Model Suite
,” Phys. Fluids
,
33
, p. 085109
.10.1063/5.006026759.
Domino
,
S. P.
,
Sakievich
,
P.
, and
Barone
,
M.
, 2019
, “
An Assessment of Atypical Mesh Topologies for low-Mach Large-Eddy Simulation
,” Comput Fluids
,
179
, pp. 655
–669
.10.1016/j.compfluid.2018.12.00260.
Sandia National Laboratories,
2022
, Advanced Simulation and Computing: Integrated Codes, Sandia National Laboratories, Albuquerque, NM, accessed Feb. 23, 2023, https://www.sandia.gov/asc/advanced-simulation-and-computing/integrated-codes/61.
ANSYS
, 2020
, ANSYS Chemkin-Pro Theory Manual - Release 2020 R1
,
ANSYS, Inc
,
Canonsburg, PA
.62.
Goodwin, D. G., Moffat, H. K., Schoegl, I., Speth, R. L., and Weber, B. W.,
2022
, “Cantera: An Object-Oriented Software Toolkit for Chemical Kinetics, Thermodynamics, and Transport Processes,” Version 2.6.0, accessed Feb. 23, 2023, https://cantera.org/63.
Domino
,
S. P.
, 2006
, “
Toward Verification of Formal Time Accuracy for a Family of ap- Proximate Projection Methods Using the Method of Manufactured Solutions
,” Studying Turbulence Using Numerical Simulation Databases – XI
,
P.
Moin
, and
N.
Mansour
, eds.,
Stanford Center for Turbulence Research
, Stanford, CA, pp. 163
–177
.64.
Pope
,
S. B.
, 2000
, Turbulent Flows
,
Cambridge University Press
,
Cambridge; New York
.65.
Menter
,
F. R.
, 2015
, Best Practice: Scale Resolving Simulations in ANSYS CFD
,
ANSYS
,
Canonsburg, PA
.66.
Vreman
,
B.
,
Geurts
,
B.
, and
Kuerten
,
H.
, 1994
, “
Realizability Conditions for the Turbulent Stress Tensor in Large-Eddy Simulation
,” J. Fluid Mech.
,
278
, pp. 351
–362
.10.1017/S002211209400374567.
Tominaga
,
Y.
, and
Stathopoulos
,
T.
, 2007
, “
Turbulent Schmidt Numbers for CFD Analysis With Various Types of Flowfield
,” Atmos. Environ.
,
41
(37
), pp. 8091
–8099
.10.1016/j.atmosenv.2007.06.05468.
Rehage
,
H.
, and
Kind
,
M.
, 2021
, “
The First Damköhler Number and Its Importance for Characterizing the Influence of Mixing on Competitive Chemical Reactions
,” Chem. Eng. Sci.
,
229
, p. 116007
.10.1016/j.ces.2020.116007Copyright © 2023 by Sandia National Laboratories (SNL)
You do not currently have access to this content.
