Login | Register

3-D CFD-PBM coupled modeling and experimental investigation of struvite precipitation in a batch stirred reactor

Title:

3-D CFD-PBM coupled modeling and experimental investigation of struvite precipitation in a batch stirred reactor

Mousavi, Seyyed Ebrahim, Choudhury, Mahbuboor Rahman and Rahaman, Md. Saifur (2018) 3-D CFD-PBM coupled modeling and experimental investigation of struvite precipitation in a batch stirred reactor. Chemical Engineering Journal . ISSN 13858947 (In Press)

[img]
Text (In press, Accepted manuscript) (application/pdf)
3-D-CFD-PBM-coupled-modeling-and-experimental-investigati_2018_Chemical-Engi.pdf - Accepted Version
Restricted to Repository staff only until 17 December 2020.
Available under License Spectrum Terms of Access.
2MB

Official URL: http://dx.doi.org/10.1016/j.cej.2018.12.089

Abstract

A general model has been developed to elucidate the precipitation of struvite crystals in a batch stirred tank reactor. The model, which evaluates reactor performance, also predicts crystal size distribution (CSD) over time by considering the hydrodynamic, thermodynamic, and kinetic aspects of solution in the reactor. A Computational Fluid Dynamics (CFD) model was coupled with Population Balance Modeling (PBM) to model the growth of crystals in the reactor. A thermodynamic equilibrium model for struvite precipitation was consolidated with the reactor model. While the equilibrium model provided information on supersaturation development, the coupled CFD-PBM model captured the crystal growth kinetics and the influence of the reactor hydrodynamics on the overall process. Size distribution is crucial as it determines distinct grades of final struvite crystals, which are to be used as commercial fertilizer. In the simulation, the CFD flow field was solved through a Eulerian multiphase approach and RNG-k-ɛ turbulence model. The population balance equation was solved using a discretized form of the continuous partial differential equation, which transformed the continuous partial differential equation into finite ordinary differential equations as per size classes, which were then solved simultaneously. The growth rate, as a function of the supersaturation index (SI), was employed in the model through User Defined Function. The mean, standard deviation, and skewness of the model predicted CSD after 50 minutes were 20.81 μm, 9.61 μm, and 2.97, respectively and for the experimental CSD were 19.66 μm, 7.13 μm, and 2.46, respectively. The predicted peak-size percent fraction revealed a deviation from experimental results of 1.42%, 0.05%, 2.43%, 14.6%, 11.2%, 11.7%, 13.6%, and 14.2% at 0, 3, 10, 20, 30, 40, 50, and 60 min, respectively.

Divisions:Concordia University > Gina Cody School of Engineering and Computer Science > Building, Civil and Environmental Engineering
Item Type:Article
Refereed:Yes
Authors:Mousavi, Seyyed Ebrahim and Choudhury, Mahbuboor Rahman and Rahaman, Md. Saifur
Journal or Publication:Chemical Engineering Journal
Date:18 December 2018
Funders:
  • Natural Science and Engineering Research Council of Canada (NSERC)
Digital Object Identifier (DOI):10.1016/j.cej.2018.12.089
Keywords:Struvite precipitation; Computational fluid dynamics; Population balance model; Stirred reactor; Growth rate
ID Code:984823
Deposited By: MONIQUE LANE
Deposited On:21 Dec 2018 18:52
Last Modified:21 Dec 2018 18:52
Additional Information:The authors would also like to acknowledge CalculQuebec and ComputeCanada for providing high-speed computing facility for the present study.

References:

UN, Concise Report on the World Population Situation in 2014, United Nations, New York, 2014.

P. Heffer, M. Prud, Fertilizer Outlook 2014-2018, in: 82nd IFA Annual Conference, International Fertilizer Industry Association (IFA), Sydney, Australia, 2014: pp. 1–7.

S. Kataki, H.M. West, M.L. Clarke, D.C. Baruah Phosphorus recovery as struvite : recent concerns for use of seed, alternative Mg source, nitrogen conservation and fertilizer potential, Resour Conserv. Recycl., 107 (2016), pp. 142-156

T. Zhang, L. Ding, H. Ren Pretreatment of ammonium removal from landfill leachate by chemical precipitation J. Hazard. Mater., 166 (2009), pp. 911-915

O. Tünay, I. Kabdasli, D. Orhon, S. Kolçak Ammonia removal by magnesium ammonium phosphate precipitation in industrial wastewaters Water Sci. Technol., 36 (1997), pp. 225-228

I. Kabdasli, M. Gürel, O. Tünay Characterization and Treatment of Textile Printing Wastewaters Environ. Technol., 21 (2000), pp. 1147-1155

J.M. Chimenos, A.I. Fernández, G. Villalba, M. Segarra, A. Urruticoechea, B. Artaza, F. Espiel lRemoval of ammonium and phosphates from wastewater resulting from the process of cochineal extraction using MgO-containing by-product Water Res., 37 (2003), pp. 1601-1607

M. Türker, I. Çelen Removal of ammonia as struvite from anaerobic digester effluents and recycling of magnesium and phosphate Bioresour. Technol., 98 (2007), pp. 1529-1534

M. Ronteltap, M. Maurer, W. Gujer Struvite precipitation thermodynamics in source-separated urine Water Res., 41 (2007), pp. 977-984

R. Yu, J. Geng, H. Ren, Y. Wang, K. Xu Combination of struvite pyrolysate recycling with mixed-base technology for removing ammonium from fertilizer wastewater
Bioresour. Technol., 124 (2012), pp. 292-298

N.M. Khai Chemical Precipitation of Ammonia and Phosphate from Nam Son Landfill Leachate, Hanoi Iran. J. Energy Environ., 3 (2012), pp. 32-36

H. Xu, P. He, W. Gu, G. Wang, L. Shao Recovery of phosphorus as struvite from sewage sludge ash J. Environ. Sci. (Beijing, China), 24 (2012), pp. 1533-1538

E.L. Foletto, W.R.B. dos Santos, M.A. Mazutti, S.L. Jahn, A. Gündel, Production of struvite from beverage waste as phosphorus source, Mater. Res. (Sao Carlos, Braz.). 16 (2013) 242–245. doi:10.1590/S1516-14392012005000152.

S.G. Barbosa, L. Peixoto, B. Meulman, M.M. Alves, M.A. Pereira A design of experiments to assess phosphorous removal and crystal properties in struvite precipitation of source separated urine using different Mg sources Chem. Eng. J., 298 (2016), pp. 146-153

J.A. Wilsenach, C.A.H. Schuurbiers, M.C.M. van Loosdrecht Phosphate and potassium recovery from source separated urine through struvite precipitation Water Res., 41 (2007), pp. 458-466

Q. Zhao, T. Zhang, C. Frear, K. Bowers, J. Harrison, S. Chen Phosphorous recovery technology in conjunction with dairy anaerobic digestion CSANR Research Report (2010–001,), p. 2010

M.S. Rahaman, D.S. Mavinic, A. Meikleham, N. Ellis Modeling phosphorus removal and recovery from anaerobic digester supernatant through struvite crystallization in a fluidized bed reactor Water Res., 51 (2014), pp. 1-10

A. Guadie, S. Xia, W. Jiang, L. Zhou, Z. Zhang, S.W. Hermanowicz, X. Xu, S. Shen Enhanced struvite recovery from wastewater using a novel cone-inserted fluidized bed reactor
J. Environ. Sci. (Beijing, China), 26 (2014), pp. 765-774

C.C. Su, R.R.M. Abarca, M.D.G. de Luna, M.C. Lu Phosphate recovery from fluidized-bed wastewater by struvite crystallization technology J. Taiwan Inst. Chem. Eng., 45 (2014), pp. 2395-2402

M.I. Ali, P.A. Schneider An approach of estimating struvite growth kinetic incorporating thermodynamic and solution chemistry, kinetic and process description
Chem. Eng. Sci., 63 (2008), pp. 3514-3525

L. Pastor, D. Mangin, R. Barat, A. Seco A pilot-scale study of struvite precipitation in a stirred tank reactor: Conditions influencing the process Bioresour. Technol., 99 (2008), pp. 6285-6291

M. Hanhoun, L. Montastruc, C. Azzaro-Pantel, B. Biscans, M. Frèche, L. Pibouleau Simultaneous determination of nucleation and crystal growth kinetics of struvite using a thermodynamic modeling approach Chem. Eng. J., 215–216 (2013), pp. 903-912

Z. Wang, Z. Mao, C. Yang, X. Shen Computational Fluid Dynamics Approach to the Effect of Mixing and Draft Tube on the Precipitation of Barium Sulfate in a Continuous Stirred Tank1
Chin. J. Chem. Eng., 14 (2006), pp. 713-722

D. Logashenko, T. Fischer, S. Motz, E.D. Gilles, G. Wittum Simulation of crystal growth and attrition in a stirred tank Comput. Visualization Sci., 9 (2006), pp. 175-183

Z. Sha, P. Oinas, M. Louhi-Kultanen, G. Yang, S. Palosaari Application of CFD simulation to suspension crystallization—factors affecting size-dependent classification Powder Technol., 121 (2001), pp. 20-25

Z. Zhu, H. Wei Flow field of stirred tank used in the crystallization process of ammonium sulphate ScienceAsia., 34 (2008), pp. 97-101

W. Wantha, A.E. Flood Numerical simulation and analysis of flow in a DTB crystallizer
Chem. Eng. Commun., 195 (2008), pp. 1345-1370

R. Plewik, P. Synowiec, J. Wojcik, A. Kus Suspension flow in crystallizers with and without hydraulic classification Chem. Eng. Res. Des., 88 (2010), pp. 1194-1199

M.S. Rahaman, D.S. Mavinic Recovering nutrients from wastewater treatment plants through struvite crystallization: CFD modelling of the hydrodynamics of UBC MAP fluidized-bed crystallizer Water Sci. Technol., 59 (2009), pp. 1887-1892

M. Al-Rashed, J. Wójcik, R. Plewik, P. Synowiec, A. Kuś Multiphase CFD modeling: Fluid dynamics aspects in scale-up of a fluidized-bed crystallizer Chem. Eng. Process., 63 (2013), pp. 7-15

C.V. Rane, A.A. Ganguli, E. Kalekudithi, R.N. Patil, J.B. Joshi, D. Ramkrishna CFD simulation and comparison of industrial crystallizers Can. J. Chem. Eng., 92 (2014), pp. 2138-2156

Z. Jaworski, A.W. Nienow CFD modelling of continuous precipitation of barium sulphate in a stirred tank Chem. Eng. J., 91 (2003), pp. 167-174

M.S. Rahaman, M.R. Choudhury, A.S. Ramamurthy, D.S. Mavinic, N. Ellis, F. Taghipour CFD modeling of liquid-solid fluidized beds of polydisperse struvite crystals Int. J. Multiphase Flow., 99 (2018), pp. 48-61

K.N. Ohlinger, T.M. Young, E.D. Schroeder Predicting struvite formation in digestion
Water Res., 32 (1998), pp. 3607-3614

I. Çelen, J.R. Buchanan, R.T. Burns, R. Bruce Robinson, D. Raj Raman Using a chemical equilibrium model to predict amendments required to precipitate phosphorus as struvite in liquid swine manure Water Res., 41 (2007), pp. 1689-1696

M.S. Rahaman, D.S. Mavinic, N. Ellis Phosphorus recovery from anaerobic digester supernatant by struvite crystallization: Model-based evaluation of a fluidized bed reactor
Water Sci. Technol., 58 (2008), pp. 1321-1327

M. Hanhoun, L. Montastruc, C. Azzaro-Pantel, B. Biscans, M. Frèche, L. Pibouleau Temperature impact assessment on struvite solubility product: A thermodynamic modeling approach
Chem. Eng. J., 167 (2011), pp. 50-58

N.J. Barnes, A.R. Bowers A probabilistic approach to modeling struvite precipitation with uncertain equilibrium parameters Chem. Eng. Sci., 161 (2017), pp. 178-186

N.C. Bouropoulos, P.G. Koutsoukos Spontaneous precipitation of struvite from aqueous solutions J. Cryst. Growth., 213 (2000), pp. 381-388

N.O. Nelson, R.L. Mikkelsen, D.L. Hesterberg Struvite precipitation in anaerobic swine lagoon liquid: Effect of pH and Mg: P ratio and determination of rate constant Bioresour. Technol., 89 (2003), pp. 229-236

M. Quintana, E. Sánchez, M.F. Colmenarejo, J. Barrera, G. García, R. Borja Kinetics of phosphorus removal and struvite formation by the utilization of by-product of magnesium oxide production Chem. Eng. J., 111 (2005), pp. 45-52

K.S. Le Corre, E. Valsami-Jones, P. Hobbs, S.A. Parsons Kinetics of struvite precipitation: Effect of the magnesium dose on induction times and precipitation rates Environ. Technol., 28 (2007), pp. 1317-1324

M. Quintana, M.F. Colmenarejo, J. Barrera, E. Sánchez, G. García, L. Travieso, R. Borja Removal of phosphorus through struvite precipitation using a by-product of magnesium oxide production (BMP): Effect of the mode of BMP preparation Chem. Eng. J., 136 (2008), pp. 204-209

M.S. Rahaman, N. Ellis, D.S. Mavinic Effects of various process parameters on struvite precipitation kinetics and subsequent determination of rate constants Water Sci. Technol., 57 (2008), pp. 647-654

E. Ariyanto, T.K. Sen, H.M. Ang The influence of various physico-chemical process parameters on kinetics and growth mechanism of struvite crystallisation Adv. Powder Technol., 25 (2014), pp. 682-694

A. Capdevielle, E. Sýkorová, F. Béline, M.L. Daumer Kinetics of struvite precipitation in synthetic biologically treated swine wastewaters Environ. Technol., 35 (2014), pp. 1250-1262

N.-M. Chong, Q.-M. Thai Optimization and kinetics of nutrient removal from wastewater by chemical precipitation of struvite Desalin. Water Treat., 54 (2015), pp. 3422-3431

M.I.H. Bhuiyan, D.S. Mavinic, R.D. Beckie Nucleation and growth kinetics of struvite in a fluidized bed reactor J. Cryst. Growth., 310 (2008), pp. 1187-1194

M. Harrison, M.R. Johns, E.T. White, C.M. Mehta Growth Rate Kinetics for Struvite Crystallisation Chemical Engineering Transactions., 25 (2011), pp. 309-314

A. Triger, J.S. Pic, C. Cabassud Determination of struvite crystallization mechanisms in urine using turbidity measurement Water Res., 46 (2012), pp. 6084-6094

C.M. Mehta, D.J. Batstone Nucleation and growth kinetics of struvite crystallization
Water Res., 47 (2013), pp. 2890-2900

S.C. Galbraith, P.A. Schneider, A.E. Flood Model-driven experimental evaluation of struvite nucleation, growth and aggregation kinetics Water Res., 56 (2014), pp. 122-132

D. Crutchik, J.M. Garrido Kinetics of the reversible reaction of struvite crystallisation
Chemosphere., 154 (2016), pp. 567-572

S. Qamar Modeling and Simulation of Population Balances for Particulate Processes
Otto-von-Guericke University Magdeburg, Faculty of Mathematics (2008)

S. Qamar, G. Warnecke, M.P. Elsner, A. Seidel-Morgenstern A Laplace transformation based technique for reconstructing crystal size distributions regarding size independent growth
Chemical Engineering Science., 63 (2008), pp. 2233-2240

S.C. Galbraith, P.A. Schneider Modelling and simulation of inorganic precipitation with nucleation, crystal growth and aggregation: A new approach to an old method Chem. Eng. J., 240 (2014), pp. 124-132

C.W. Childs, C.W. Childs A Potentiometric Study of Equilibria in Aqueous Divalent Metal Orthophosphate Solutions Inorganic Chemistry., 9 (1970), pp. 2465-2469

M.M. François, J.G.H. Morel Principles and Application of Aquatic Chemistry (1993)

A.W. Taylor, A.W. Frazier, E.L. Gurney Solubility products of magnesium ammonium and magnesium potassium phosphates Trans. Faraday Soc., 59 (1963), pp. 1580-1584

A.E. Martell, R.M. Smith Critical Stability Constants Plenum Press, New York, London (1974)

V.L. Snoeyink, D. Jenkins Water Chemistry Wiley, USA (1980)

J.W. Mullin Crystallization (3rd ed.), Butterworth-Heinemann (1993)

M.S. Rahaman Phosphorus Recovery from Wastewater through Struvite Crystallization in a Fluidized Bed Reactor: Kinetics The University of British Columbia, Hydrodynamics and Performance (2009)

K.N. Ohlinger, T.M. Young, E.D. Schroeder Kinetics Effects on Preferential Struvite Accumulation in Wastewater J. Environ. Eng., 125 (1999), pp. 730-737

M.I. Ali, P.A. Schneider A fed-batch design approach of struvite system in controlled supersaturation Chem. Eng. Sci., 61 (2006), pp. 3951-3961

A.G. Jones Crystallization Process Systems (1st ed.), Butterworth-Heinemann, Boston (2002)

C.V. Rane, E. Kalekudithi, J.B. Joshi, D. Ramkrishna Effect of Impeller Design and Power Consumption on Crystal Size Distribution AIChE J., 60 (2014), pp. 3596-3613

J.B. Joshi, V.V. Ranade Computational fluid dynamics for designing process equipment: Expectations, current status, and path forward Ind. Eng. Chem. Res., 42 (2003), pp. 1115-1128

D. Ramkrishna, Population balances, 1st ed., Academic Press, 2000. doi:10.1016/B978-012576970-9/50000-X.

M.J. Hounslow, R.L. Ryall, V.R. Marshall A discretized population balance for nucleation, growth, and aggregation AIChE J., 34 (1988), pp. 1821-1832

J.D. Lister, D.J. Smit, M.J. Hounslow Adjustable discretized population balance for growth and aggregation AIChE J., 41 (1995), pp. 591-603

S. Srisanga, A.E. Flood, S.C. Galbraith, S. Rugmai, S. Soontaranon, J. Ulrich Crystal growth rate dispersion versus size-dependent crystal growth: Appropriate modeling for crystallization processes Crystal Growth and Design., 15 (2015), pp. 2330-2336

A. Brucato, M. Ciofalo, F. Grisafi, G. Micale Numerical prediction of flow fields in baffled stirred vessels: A comparison of alternative modelling approaches Chem. Eng. Sci., 53 (1998), pp. 3653-3684

C. Bartels, M. Breuer, K. Wechsler, F. Durst Computational fluid dynamics applications on parallel-vector computers: Computations of stirred vessel flows Comput. Fluids., 31 (2002), pp. 69-97

D.A. Deglon, C.J. Meyer CFD modelling of stirred tanks: Numerical considerations
Miner. Eng., 19 (2006), pp. 1059-1068

J.H. Rushton, E.W. Costich, H.J. Everett Power characteristics of mixing impellers -Part II
Chem. Eng. Prog., 46 (1950), pp. 467-476

J.M. Zalc, M.M. Alvarez, F.J. Muzzio, B.E. Arik Extensive validation of computed laminar flow in a stirred tank with three Rushton turbines AIChE J., 47 (2001), pp. 2144-2154

J. Costes, J.P. Couderc Study by laser Doppler anemometry of the turbulent flow induced by a Rushton turbine in a stirred tank: Influence of the size of the units—I. Mean flow and turbulence Chem. Eng. Sci. 43 (1988), pp. 2751-2764

D. Wadnerkar, M.O. Tade, V.K. Pareek, R.P. Utikar CFD simulation of solid–liquid stirred tanks for low to dense solid loading systems Particuolog
All items in Spectrum are protected by copyright, with all rights reserved. The use of items is governed by Spectrum's terms of access.

Repository Staff Only: item control page

Downloads per month over past year

Research related to the current document (at the CORE website)
- Research related to the current document (at the CORE website)
Back to top Back to top