Quadrature method of moments for population-balance equations
Abstract
Abstract Although use of computational fluid dynamics (CFD) for simulating precipitation (and particulate systems in general) is becoming a standard approach, a number of issues still need to be addressed. One major problem is the computational expense of coupling a standard discretized population balance (DPB) with a CFD code, as this approach requires the solution of an intractably large number of transport equations. In this work the quadrature method of moments (QMOM) is tested for size‐dependent growth and aggregation. The QMOM is validated by comparison with both Monte Carlo simulations and analytical solutions using several functional forms for the aggregation kernel. Moreover, model predictions are compared with a DPB to compare accuracy, computational time, and the number of scalars involved. Analysis of the relative performance of various methods for treating aggregation provides readers with useful information about the range of application and possible limitations.
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QMOM does not require any upper and lower limits like the CM.
“In addition, the QMOM does not require any upper and lower limits like the CM.”
From Modeling and Simulation of Photobioreactors with Computational Fluid Dynamics—A Comprehensive Review (2022) · cites this paper as [303]
QMOM used by Marchisio et al. [303] to model growth of crystal size with size-independent and size-dependent growth rates using realistic aggregation kernels was validated by comparing with analytical solutions and Monte-Carlo simulations.
“The QMOM has been used by Marchisio et al. [303] to model the growth of crystal size with size-independent and size-dependent growth rates utilizing realistic aggregation kernels. The method has been validated by comparing the results with analytical solutions [288] and with results obtained with Monte-Carlo simulations.”
From Modeling and Simulation of Photobioreactors with Computational Fluid Dynamics—A Comprehensive Review (2022) · cites this paper as [303]
QMOM results agree very well with analytical solutions and have nearly the same accuracy as Monte-Carlo simulations for simultaneous nucleation, growth, and aggregation, while the number of scalars and CPU time are drastically reduced.
“It is found that the results obtained with the QMOM agree very well with the analytical solutions and they have nearly the same accuracy as those of the Monte-Carlo simulations for the case of simultaneous nucleation, growth, and aggregation. However, the number of scalars involved in the QMOM is drastically reduced, thus entailing a significant reduction of the required CPU time.”
From Modeling and Simulation of Photobioreactors with Computational Fluid Dynamics—A Comprehensive Review (2022) · cites this paper as [303]
Cites
Mathematical Theory of the Kinetics of the Coagulation of Colloidal Solutions
Smoluchowski, M. (1917) · Zeitschrift für Physikalische Chemie · Cited by 2,792 · see citing works
Some problems in particle technology
Hulburt, H. M., & Katz, S. (1964) · Chemical Engineering Science · doi:10.1016/0009-2509(64)85047-8 · Cited by 1,670 · see citing works
Population Balances: Theory and Applications to Particulate Systems in Engineering
Ramkrishna, D. (2000) · Cited by 1,434 · see citing works
Description of aerosol dynamics by the quadrature method of moments
McGraw, R. (1997) · Aerosol Science and Technology · doi:10.1080/02786829708965471 · Cited by 1,128 · see citing works
On the solution of population balance equations by discretization—I. A fixed pivot technique
Kumar, S., & Ramkrishna, D. (1996) · Chemical Engineering Science · doi:10.1016/0009-2509(96)88489-2 · Cited by 1,109 · see citing works
A discretized population balance for nucleation, growth, and aggregation
Hounslow, M. J., Ryall, R. L., & Marshall, V. R. (1988) · AIChE Journal · doi:10.1002/aic.690341108 · Cited by 995 · see citing works
On the solution of population balance equations by discretization—II. A moving pivot technique
Kumar, S., & Ramkrishna, D. (1996) · Chemical Engineering Science · doi:10.1016/0009-2509(95)00355-x · Cited by 825 · see citing works
Quadrature method of moments for aggregation-breakage processes
Marchisio, D. L., Vigil, R. D., & Fox, R. O. (2003) · Journal of Colloid and Interface Science · doi:10.1016/s0021-9797(02)00054-1 · Cited by 524 · see citing works
Self-citationError Bounds in Equilibrium Statistical Mechanics
Gordon, R. G. (1968) · Journal of Mathematical Physics · doi:10.1063/1.1664624 · Cited by 453 · see citing works
The Status of Population Balances
Ramkrishna, D. (1985) · Reviews in Chemical Engineering · doi:10.1515/revce.1985.3.1.49 · Cited by 393 · see citing works
Adjustable discretized population balance for growth and aggregation
Lister, J. D., Smit, D. J., & Hounslow, M. J. (1995) · AIChE Journal · doi:10.1002/aic.690410317 · Cited by 366 · see citing works
Numerical solution of the dynamic equation for particulate systems
Gelbard, F., & Seinfeld, J. H. (1978) · Journal of Computational Physics · doi:10.1016/0021-9991(78)90058-x · Cited by 337 · see citing works
Constant-number Monte Carlo simulation of population balances
Smith, M., & Matsoukas, T. (1998) · Chemical Engineering Science · doi:10.1016/s0009-2509(98)00045-1 · Cited by 334 · see citing works
Implementation of the quadrature method of moments in CFD codes for aggregation–breakage problems
Marchisio, D. L., Vigil, R. D., & Fox, R. O. (2003) · Chemical Engineering Science · doi:10.1016/s0009-2509(03)00211-2 · Cited by 268 · see citing works
Self-citationMarchal, P., David, R., Klein, J. P., & Villermaux, J. (1988) · Chemical Engineering Science · doi:10.1016/0009-2509(88)87126-4 · Cited by 257 · see citing works
Approximate Population Balance Equations for Aggregation–Breakage Processes
Vanni, M. (2000) · Journal of Colloid and Interface Science · doi:10.1006/jcis.1999.6571 · Cited by 244 · see citing works
The Theory of Canonical Moments with Applications in Statistics, Probability and Analysis
Rukhin, A. L., Dette, H., & Studden, W. J. (1998) · Journal of the American Statistical Association · doi:10.2307/2670071 · Cited by 239 · see citing works
Mixing-precipitation model with application to double feed semibatch precipitation
Baḱldyga, J., Podgórska, W., & Pohorecki, R. (1995) · Chemical Engineering Science · doi:10.1016/0009-2509(95)98841-2 · Cited by 212 · see citing works
Wright, D. L., McGraw, R., & Rosner, D. E. (2001) · Journal of Colloid and Interface Science · doi:10.1006/jcis.2000.7409 · Cited by 160 · see citing works
Jung, W. M., Kang, S. H., Kim, W., et al. (2000) · Chemical Engineering Science · doi:10.1016/s0009-2509(99)00395-4 · Cited by 160 · see citing works
Diemer, R. B., & Olson, J. H. (2002) · Chemical Engineering Science · doi:10.1016/s0009-2509(02)00112-4 · Cited by 149 · see citing works
Barium sulphate precipitation in a pipe — an experimental study and CFD modelling
Bałdyga, J., & Orciuch, W. (2001) · Chemical Engineering Science · doi:10.1016/s0009-2509(00)00449-8 · Cited by 135 · see citing works
Nucleation, growth, and agglomeration in barium sulfate turbulent precipitation
Marchisio, D. L., Barresi, A., & Garbero, M. (2002) · AIChE Journal · doi:10.1002/aic.690480917 · Cited by 125 · see citing works
Self-citationA comparison of some approximate methods for solving the aerosol general dynamic equation
Barrett, J. C., & Webb, N. A. (1998) · Journal of Aerosol Science · doi:10.1016/s0021-8502(97)00455-2 · Cited by 119 · see citing works
Zauner, R., & Jones, A. G. (2000) · Chemical Engineering Science · doi:10.1016/s0009-2509(00)00059-2 · Cited by 108 · see citing works
Simulation of turbulent precipitation in a semi‐batch Taylor‐Couette reactor using CFD
Marchisio, D. L., Barresi, A., & Fox, R. O. (2001) · AIChE Journal · doi:10.1002/aic.690470314 · Cited by 97 · see citing works
Self-citationMuhr, H., David, R., Villermaux, J., et al. (1996) · Chemical Engineering Science · doi:10.1016/0009-2509(95)00257-x · Cited by 54 · see citing works
Simulation of fine particle formation by precipitation using computational fluid dynamics
Piton, D., Fox, R. O., & Marcant, B. (2000) · The Canadian Journal of Chemical Engineering · doi:10.1002/cjce.5450780516 · Cited by 52 · see citing works
Self-citationDiscretization procedure for the breakage equation
Vanni, M. (1999) · AIChE Journal · doi:10.1002/aic.690450422 · Cited by 44 · see citing works
Agglomeration of yttrium oxalate particles produced by reaction precipitation in semi-batch reactor
Sung, M.-H., Choi, I.-S., Kim, J.-S., et al. (2000) · Chemical Engineering Science · doi:10.1016/s0009-2509(99)00480-7 · Cited by 44 · see citing works
On the role of micro- and mesomixing in a continuous Couette-type precipitator
Barresi, A., Marchisio, D. L., & Baldi, G. (1999) · Chemical Engineering Science · doi:10.1016/s0009-2509(98)00292-9 · Cited by 43 · see citing works
Self-citationAgglomeration during precipitation: II. Mechanism deduction from tracer data
Ilievski, D., & Hounslow, M. J. (1995) · AIChE Journal · doi:10.1002/aic.690410311 · Cited by 38 · see citing works
MICROMIXING EFFECTS ON BARIUM SULFATE PRECIPITATION IN AN MSMPR REACTOR
Kim, W., & Tarbell, J. M. (1996) · Chemical Engineering Communications · doi:10.1080/00986449608936480 · Cited by 30 · see citing works
The Influence of the Type of Flow on the Orthokinetic Coagulation Rate
Krutzer, L. L. M., van Diemen, A. J. G., & Stein, H. N. (1995) · Journal of Colloid and Interface Science · doi:10.1006/jcis.1995.1199 · Cited by 21 · see citing works
Pagliolico, S. L., Marchisio, D. L., & Barresi, A. (1999) · Journal of Thermal Analysis and Calorimetry · doi:10.1023/a:1010131228741 · Cited by 17 · see citing works
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Marchisio, D. L., & Fox, R. O. (2005) · Journal of Aerosol Science · doi:10.1016/j.jaerosci.2004.07.009 · Cited by 803 · see citing works
Self-citationModeling and Simulation of Photobioreactors with Computational Fluid Dynamics—A Comprehensive Review
Luzi, G., & McHardy, C. (2022) · Energies · doi:10.3390/en15113966 · Cited by 44 · see citing works
Computational Modeling of Magnesium Hydroxide Precipitation and Kinetics Parameters Identification
Raponi, A., Romano, S., Battaglia, G., Buffo, A., Vanni, M., Cipollina, A., & Marchisio, D. (2023) · Crystal Growth & Design · doi:10.1021/acs.cgd.2c01179 · Cited by 36 · see citing works
Self-citationAskari, E., St‐Pierre Lemieux, G., & Proulx, P. (2019) · The Canadian Journal of Chemical Engineering · doi:10.1002/cjce.23470 · Cited by 24 · see citing works
The quadrature method of moments and its relationship with the method of weighted residuals
Dorao, C. A., & Jakobsen, H. A. (2006) · Chemical Engineering Science · doi:10.1016/j.ces.2006.09.014 · Cited by 18 · see citing works
- Authors
- Marchisio, D. L., Pikturna, J. T., Fox, R. O., Vigil, R. D., & Barresi, A. A.
- Affiliations
- Iowa State University (US)
- Politecnico di Torino (IT)
- Corresponding author
- Marchisio, Daniele L.
- Venue
- AIChE Journal
- Publisher
- Wiley
- Published
- 2003-05
- Volume
- 49
- Issue
- 5
- Pages
- 1266-1276
- ISSN
- 0001-1541 (ISSN-L)
- 1547-5905
- OpenAlex
- W2150452375
- Cited by
- 461
- References
- 35
- Citations by year
- 2026: 22 · 2025: 17 · 2024: 15 · 2023: 15 · 2022: 22 · 2021: 18 · 2020: 13 · 2019: 40 · 2018: 17 · 2017: 27 · 2016: 36 · 2015: 25 · 2014: 21 · 2013: 22 · 2012: 20
- FWCI
- 38.78
- Type
- journal article
- Language
- en
- Open access
- closed
- Locations
- AIChE Journal (publishedVersion)
- PORTO@Iris (submittedVersion)
- PORTO Publications Open Repository TOrino (Politecnico di Torino) (submittedVersion)
- Topics
- Physical Sciences › Engineering › Ocean Engineering › Particle Dynamics in Fluid Flows
- Physical Sciences › Engineering › Computational Mechanics › Granular flow and fluidized beds
- Physical Sciences › Engineering › Biomedical Engineering › Fluid Dynamics and Mixing
- Keywords
- quadrature method of moments, population balance equation, aggregation, precipitation chemistry, size-dependent growth, aggregation kernel, computational fluid dynamics coupling, computational cost, particle size distribution
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