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Title: A numerical comparison of precipitating turbulent flows between large‐eddy simulation and one‐dimensional turbulence

Abstract

This study presents the results of computational fluid dynamics simulations of a multiphase, reacting, turbulent mixing layer in an idealized geometry. The purpose is to compare large‐eddy simulation (LES) to one‐dimensional turbulence (ODT) and examine the trends of the flow under differing mixing conditions. Aqueous streams are mixed together to precipitate polymorphs of calcium carbonate. The polymorphs of calcium carbonate are tracked numerically using population balance equations (PBE). Each PBE contains all of the relevant physical models to track the particle evolution including nucleation, growth, and aggregation. A simple subgrid mixing model that is convenient for use with PBEs was implemented in the LES code. The higher spatial resolution achievable with ODT allowed an investigation on the effect of resolution on the mixing‐model error. The Reynolds number of the flow is varied and is shown to cause a decrease in average particle sizes with higher mixing rates. © 2015 American Institute of Chemical Engineers AIChE J , 61: 3185–3197, 2015

Authors:
 [1];  [1];  [1];  [1];  [2];  [2]
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  1. Dept. of Chemical Engineering Institute for Clean and Secure Energy University of Utah Salt Lake City UT 84112
  2. Dept. of Chemical Engineering Brigham Young University Provo UT 84602
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1400714
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
AIChE Journal
Additional Journal Information:
Journal Name: AIChE Journal Journal Volume: 61 Journal Issue: 10; Journal ID: ISSN 0001-1541
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States
Language:
English

Citation Formats

Abboud, Alex W., Schroeder, Ben B., Saad, Tony, Smith, Sean T., Harris, Derek D., and Lignell, David O. A numerical comparison of precipitating turbulent flows between large‐eddy simulation and one‐dimensional turbulence. United States: N. p., 2015. Web. doi:10.1002/aic.14870.
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Abboud, Alex W., Schroeder, Ben B., Saad, Tony, Smith, Sean T., Harris, Derek D., & Lignell, David O. A numerical comparison of precipitating turbulent flows between large‐eddy simulation and one‐dimensional turbulence. United States. https://doi.org/10.1002/aic.14870
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Abboud, Alex W., Schroeder, Ben B., Saad, Tony, Smith, Sean T., Harris, Derek D., and Lignell, David O. Tue . "A numerical comparison of precipitating turbulent flows between large‐eddy simulation and one‐dimensional turbulence". United States. https://doi.org/10.1002/aic.14870.
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@article{osti_1400714,
title = {A numerical comparison of precipitating turbulent flows between large‐eddy simulation and one‐dimensional turbulence},
author = {Abboud, Alex W. and Schroeder, Ben B. and Saad, Tony and Smith, Sean T. and Harris, Derek D. and Lignell, David O.},
abstractNote = {This study presents the results of computational fluid dynamics simulations of a multiphase, reacting, turbulent mixing layer in an idealized geometry. The purpose is to compare large‐eddy simulation (LES) to one‐dimensional turbulence (ODT) and examine the trends of the flow under differing mixing conditions. Aqueous streams are mixed together to precipitate polymorphs of calcium carbonate. The polymorphs of calcium carbonate are tracked numerically using population balance equations (PBE). Each PBE contains all of the relevant physical models to track the particle evolution including nucleation, growth, and aggregation. A simple subgrid mixing model that is convenient for use with PBEs was implemented in the LES code. The higher spatial resolution achievable with ODT allowed an investigation on the effect of resolution on the mixing‐model error. The Reynolds number of the flow is varied and is shown to cause a decrease in average particle sizes with higher mixing rates. © 2015 American Institute of Chemical Engineers AIChE J , 61: 3185–3197, 2015},
doi = {10.1002/aic.14870},
journal = {AIChE Journal},
number = 10,
volume = 61,
place = {United States},
year = {Tue May 19 00:00:00 EDT 2015},
month = {Tue May 19 00:00:00 EDT 2015}
}
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https://doi.org/10.1002/aic.14870
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Works referenced in this record:

A new kinetic approach to modeling water-rock interaction: The role of nucleation, precursors, and Ostwald ripening
journal, October 1990

A Micro-Mechanical Model for the Rate of Aggregation during Precipitation from Solution
journal, March 2003

  • Liew, T. L.; Barrick, J. P.; Hounslow, M. J.
  • Chemical Engineering & Technology, Vol. 26, Issue 3
  • DOI: 10.1002/ceat.200390042

Filtered density function for large eddy simulation of turbulent reacting flows
journal, February 1998

  • Colucci, P. J.; Jaberi, F. A.; Givi, P.
  • Physics of Fluids, Vol. 10, Issue 2
  • DOI: 10.1063/1.869537

Large-eddy simulation of the turbulent mixing layer
journal, May 1997

Error Bounds in Equilibrium Statistical Mechanics
journal, May 1968

  • Gordon, Roy G.
  • Journal of Mathematical Physics, Vol. 9, Issue 5
  • DOI: 10.1063/1.1664624

Effect of pH on calcite growth at constant ratio and supersaturation
journal, January 2011

  • Ruiz-Agudo, E.; Putnis, C. V.; Rodriguez-Navarro, C.
  • Geochimica et Cosmochimica Acta, Vol. 75, Issue 1
  • DOI: 10.1016/j.gca.2010.09.034

Comparison of micromixing models for CFD simulation of nanoparticle formation
journal, January 2004

  • Wang, Liguang; Fox, Rodney O.
  • AIChE Journal, Vol. 50, Issue 9
  • DOI: 10.1002/aic.10173

A dynamic subgrid‐scale eddy viscosity model
journal, July 1991

  • Germano, Massimo; Piomelli, Ugo; Moin, Parviz
  • Physics of Fluids A: Fluid Dynamics, Vol. 3, Issue 7
  • DOI: 10.1063/1.857955

Simulation of nonhomogeneous poisson processes by thinning
journal, September 1979

  • Lewis, P. A. W.; Shedler, G. S.
  • Naval Research Logistics Quarterly, Vol. 26, Issue 3
  • DOI: 10.1002/nav.3800260304

Prenucleation clusters and non-classical nucleation
journal, December 2011

Direct numerical simulations of chemically reacting turbulent mixing layers
journal, January 1986

  • Riley, James J.; Metcalfe, Ralph W.; Orszag, Steven A.
  • Physics of Fluids, Vol. 29, Issue 2
  • DOI: 10.1063/1.865724

The Effect of the CO32- to Ca2+ Ion activity ratio on calcite precipitation kinetics and Sr2+partitioning
journal, January 2012

  • Gebrehiwet, Tsigabu A.; Redden, George D.; Fujita, Yoshiko
  • Geochemical Transactions, Vol. 13, Issue 1
  • DOI: 10.1186/1467-4866-13-1

Comparison of one-dimensional turbulence and direct numerical simulations of soot formation and transport in a nonpremixed ethylene jet flame
journal, January 2015

  • Lignell, David O.; Fredline, Garrison C.; Lewis, Adam D.
  • Proceedings of the Combustion Institute, Vol. 35, Issue 2
  • DOI: 10.1016/j.proci.2014.05.046

Turbulent Flows
book, July 2012

Mixing of a conserved scalar in a turbulent reacting shear layer
journal, April 2003

Effects of seed material and solution composition on calcite precipitation
journal, September 2005

The Use of Direct Numerical Simulation in the Study of Turbulent, Chemically-Reacting Flows
book, January 1989

Linear-eddy modelling of turbulent transport. Part 6. Microstructure of diffusive scalar mixing fields
journal, October 1991

Effects of Damköhler number on flame extinction and reignition in turbulent non-premixed flames using DNS
journal, May 2011

An evaluation of the one-dimensional turbulence model: Comparison with direct numerical simulations of CO/H2 jets with extinction and reignition
journal, January 2011

  • Punati, Naveen; Sutherland, James C.; Kerstein, Alan R.
  • Proceedings of the Combustion Institute, Vol. 33, Issue 1
  • DOI: 10.1016/j.proci.2010.06.127

Vaterite growth and dissolution in aqueous solution I. Kinetics of crystal growth
journal, September 1990

Upscaling Calcite Growth Rates from the Mesoscale to the Macroscale
journal, June 2013

  • Bracco, Jacquelyn N.; Stack, Andrew G.; Steefel, Carl I.
  • Environmental Science & Technology, Vol. 47, Issue 13
  • DOI: 10.1021/es400687r

Vaterite growth and dissolution in aqueous solution III. Kinetics of transformation
journal, June 1997

  • Kralj, Damir; Brečević, Ljerka; Kontrec, Jasminka
  • Journal of Crystal Growth, Vol. 177, Issue 3-4, p. 248-257
  • DOI: 10.1016/S0022-0248(96)01128-1

Three-dimensional direct numerical simulation of soot formation and transport in a temporally evolving nonpremixed ethylene jet flame
journal, October 2008

Fundamentals of crystallization: Kinetic effects on particle size distributions and morphology
journal, January 1991

Quadrature method of moments for aggregation–breakage processes
journal, February 2003

  • Marchisio, Daniele L.; Vigil, R. Dennis; Fox, Rodney O.
  • Journal of Colloid and Interface Science, Vol. 258, Issue 2
  • DOI: 10.1016/S0021-9797(02)00054-1

Investigation of Precipitation of Calcium Carbonate at High Supersaturations
journal, February 2006

  • Schlomach, J.; Quarch, K.; Kind, M.
  • Chemical Engineering & Technology, Vol. 29, Issue 2
  • DOI: 10.1002/ceat.200500390

Solution of population balance equations using the direct quadrature method of moments
journal, January 2005

Stable Prenucleation Calcium Carbonate Clusters
journal, December 2008

The formation and transformation mechanism of calcium carbonate in water
journal, October 1987

  • Ogino, Takeshi; Suzuki, Toshio; Sawada, Kiyoshi
  • Geochimica et Cosmochimica Acta, Vol. 51, Issue 10, p. 2757-2767
  • DOI: 10.1016/0016-7037(87)90155-4

Uintah: a scalable framework for hazard analysis
conference, January 2010

  • Berzins, Martin; Luitjens, Justin; Meng, Qingyu
  • Proceedings of the 2010 TeraGrid Conference on - TG '10
  • DOI: 10.1145/1838574.1838577

Dynamics of scalar dissipation in isotropic turbulence: a numerical and modelling study
journal, April 2001

Mesh adaption for efficient multiscale implementation of one-dimensional turbulence
journal, April 2012

  • Lignell, D. O.; Kerstein, A. R.; Sun, G.
  • Theoretical and Computational Fluid Dynamics, Vol. 27, Issue 3-4
  • DOI: 10.1007/s00162-012-0267-9

The mechanisms of crystallization and transformation of calcium carbonates
journal, January 1997

One-dimensional turbulence: Variable-density formulation and application to mixing layers
journal, February 2005

  • Ashurst, Wm. T.; Kerstein, Alan R.
  • Physics of Fluids, Vol. 17, Issue 2
  • DOI: 10.1063/1.1847413

Review: Nucleation in solutions revisited
journal, July 2003

  • Kashchiev, D.; van Rosmalen, G. M.
  • Crystal Research and Technology, Vol. 38, Issue 78
  • DOI: 10.1002/crat.200310070

Calcium carbonate crystallization, agglomeration and form during continuous precipitation from solution
journal, February 1991

The rate and mechanism of polymorphic transformation of calcium carbonate in water
journal, February 1990

Theoretical Framework for Multiple-Polymorph Particle Precipitation in Highly Supersaturated Systems
journal, March 2014

  • Schroeder, B. B.; Harris, D. D.; Smith, S. T.
  • Crystal Growth & Design, Vol. 14, Issue 4
  • DOI: 10.1021/cg401892b

One-dimensional turbulence: vector formulation and application to free shear flows
journal, October 2001

Formation process of calcium carbonate from highly supersaturated solution
journal, April 2002

Aragonite Kinetics in Dilute Solutions
journal, May 2011

  • Romanek, Christopher S.; Morse, John W.; Grossman, Ethan L.
  • Aquatic Geochemistry, Vol. 17, Issue 4-5
  • DOI: 10.1007/s10498-011-9127-2
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