Technical Papers
Jun 24, 2022

InterAdsFoam: An Open-Source CFD Model for Granular Media–Adsorption Systems with Dynamic Reaction Zones Subject to Uncontrolled Urban Water Fluxes

Publication: Journal of Environmental Engineering
Volume 148, Issue 9

Abstract

In the urban water cycle, adsorption facilitated by engineered granular media increasingly is deployed for solute separation in potable water, stormwater, and wastewater systems. Of these systems, stormwater treatment is inordinately complex. Stormwater systems are passive, decentralized, and subject to highly unsteady and uncontrolled fluxes with multiphase interactions. This study proposes a multiphase and multiphysics computational fluid dynamics (CFD) model, interAdsFoam, to simulate turbulence mixing and adsorption with dynamic water–air interface and reaction zones. An original CFD model is proposed, benchmarked, and validated with data sets across a range of scales: (1) bench-scale columns for model parameter estimation, (2) physical modeling of a radial flow adsorption reactor (RFR) subject to controlled fluxes, and (3) field monitoring of a commercial volumetric radial flow adsorption reactor (VRFR) system subject to uncontrolled event-based fluxes. The results illustrate (1) the nonuniqueness of numerical solutions for parameter estimation in adsorption modeling; (2) that regulating the parameter estimation process with isotherms improves model generalizability; (3)  inverse modeling of the RFR hydraulic resistance with the quadratic Thiem model can provide a more accurate representation than the Ergun model; and (4) that turbulence transport and chemical adsorption are dynamically coupled with the air–water momentum balance. The proposed CFD model predicts total dissolved phosphorus (TDP) transport and fate based on field monitoring of the VRFR. System dynamics and treatment functionality are elucidated, and implications for practical reactor design are discussed. The proposed open-source CFD model provides a novel framework for higher-fidelity urban water adsorption reactor simulation, design, and optimization than current methods for adsorption.

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Data Availability Statement

Some or all data, models, or code generated or used during the study are available in a repository online in accordance with funder data retention policies. The source code and compilation instructions of interAdsFoam are available in a GitHub repository (https://github.com/Rdfing/interAdsFoam).

Acknowledgments

This research was supported by USGS funding through the Water Resources Research Institute in Engineering School of Sustainable Infrastructure and Environment at the University of Florida under the 104B program.

References

Adams, B. M., et al. 2020. Dakota, a multilevel parallel object-oriented framework for design optimization, parameter estimation, uncertainty. Albuquerque, NM: Sandia National Laboratories.
Adeel, Z., and R. G. Luthy. 1995. “Sorption and transport kinetics of a nonionic surfactant through an aquifer sediment.” Environ. Sci. Technol. 29 (4): 1032–1042. https://doi.org/10.1021/es00004a025.
Adeel, Z., R. G. Luthy, and D. A. Edwards. 1995. “Modeling transport of multiple organic compounds: Segregated transport-sorption/solubilization numerical technique.” Water Resour. Res. 31 (8): 2035–2045. https://doi.org/10.1029/95WR01331.
Anderson, M., W. Woessner, and R. Hunt. 2015. Applied groundwater modeling. 2nd ed. Cambridge, MA: Academic Press.
Arias, M. E., M. T. Brown, and J. J. Sansalone. 2013. “Characterization of storm water-suspended sediments and phosphorus in an urban catchment in Florida.” J. Environ. Eng. 139 (2): 277–288. https://doi.org/10.1061/(ASCE)EE.1943-7870.0000583.
Bear, J. 1972. Dynamics of fluids in porous media. New York: Dover.
Becker, M. D., Y. Wang, K. D. Pennell, and L. M. Abriola. 2015. “A multi-constituent site blocking model for nanoparticle and stabilizing agent transport in porous media.” Environ. Sci. Nano 2 (2): 155–166. https://doi.org/10.1039/c4en00176a.
Björklund, K., and L. Y. Li. 2017. “Adsorption of organic stormwater pollutants onto activated carbon from sewage sludge.” J. Environ. Manage. 197 (Jul): 490–497. https://doi.org/10.1016/j.jenvman.2017.04.011.
Borne, K. E., E. A. Fassman-Beck, and C. C. Tanner. 2014. “Floating Treatment Wetland influences on the fate of metals in road runoff retention ponds.” Water Res. 48 (1): 430–442. https://doi.org/10.1016/j.watres.2013.09.056.
Chesapeake Bay Scientific and Technical Advisory Committee. 2015. Evaluating proprietary BMPs: Is it time for a state, regional or national program? Fairfax, VA: Chesapeake Bay Scientific and Technical Advisory Committee.
Dean, C. M., J. J. Sansalone, F. K. Cartledge, and J. H. Pardue. 2005. “Influence of hydrology on rainfall-runoff metal element speciation.” J. Environ. Eng. 131 (4): 632–642. https://doi.org/10.1061/(ASCE)0733-9372(2005)131:4(632).
Delgado, J. M. P. Q. 2006. “A critical review of dispersion in packed beds.” Heat Mass Transfer 42 (4): 279–310. https://doi.org/10.1007/s00231-005-0019-0.
Deng, Y. 2020. “Low-cost adsorbents for urban stormwater pollution control.” Front. Environ. Sci. Eng. 14 (5): 1–8. https://doi.org/10.1007/s11783-020-1262-9.
Deshpande, S. S., L. Anumolu, and M. F. Trujillo. 2012. “Evaluating the performance of the two-phase flow solver interFoam.” Comput. Sci. Discovery 5 (1): 014016. https://doi.org/10.1088/1749-4699/5/1/014016.
Edwards, O. W., and E. O. Huffman. 1959. “Diffusion of aqueous solutions of phosphoric acid at 25°.” J. Phys. Chem. 63 (11): 1830–1833. https://doi.org/10.1021/j150581a011.
Elenius, M. T., and L. M. Abriola. 2019. “Regressed models for multirate mass transfer in heterogeneous media.” Water Resour. Res. 55 (11): 8646–8665. https://doi.org/10.1029/2019WR025476.
Ergun, S., and A. A. Orning. 1949. “Fluid flow through randomly packed columns and fluidized beds.” Ind. Eng. Chem. 41 (6): 1179–1184. https://doi.org/10.1021/ie50474a011.
Grady, C. P. L., G. T. Daigger, N. G. Love, and C. D. M. Filipe. 2011. Biological wastewater treatment. Boca Raton, FL: CRC Press.
Horgue, P., C. Soulaine, J. Franc, R. Guibert, and G. Debenest. 2015. “An open-source toolbox for multiphase flow in porous media.” Comput. Phys. Commun. 187 (Feb): 217–226. https://doi.org/10.1016/j.cpc.2014.10.005.
Istok, J. 1989. “Derivation of equations of solute transport.” In Groundwater modeling by the finite element method, 469–477. Washington, DC: American Geophysical Union.
Kawai, K., H. Keita, R. Nakamura, K. Arima, K. Yamamura, and O. Tabata. 2019. “Rapid assembly of DNA origami in microfluidic temperature gradient.” In Proc., 2019 20th Int. Conf. on Solid-State Sensors, Actuators and Microsystems and Eurosensors 33, TRANSDUCERS 2019 and EUROSENSORS 33, 398–401. Piscataway, NJ: Institute of Electrical and Electronics Engineers. https://doi.org/10.1109/TRANSDUCERS.2019.8808567.
Krebs, P. 1995. “Success and shortcomings of clarifier modeling.” Water Sci. Technol. 31 (2): 181–191. https://doi.org/10.2166/wst.1995.0098.
Kvalseth, T. O. 1985. “Cautionary note about R2.” Am. Stat. 39 (4): 279. https://doi.org/10.2307/2683704.
Li, H., and J. Sansalone. 2020a. “CFD as a complementary tool to benchmark physical testing of PM separation by unit operations.” J. Environ. Eng. 146 (11): 04020122. https://doi.org/10.1061/(ASCE)EE.1943-7870.0001803.
Li, H., and J. Sansalone. 2020b. “CFD model of PM sedimentation and resuspension in urban water clarification.” J. Environ. Eng. 146 (3): 04019118. https://doi.org/10.1061/(ASCE)EE.1943-7870.0001649.
Li, H., and J. Sansalone. 2020c. “Collector efficiency for hydrosol deep-bed filtration of non-Brownian particles at low and finite Reynolds numbers.” Particuology 53 (Dec): 124–133. https://doi.org/10.1016/j.partic.2020.03.007.
Li, H., and J. Sansalone. 2020d. “Multi-scale physical model simulation of particle filtration using computational fluid dynamics.” J. Environ. Manage. 271 (Oct): 111021. https://doi.org/10.1016/j.jenvman.2020.111021.
Li, H., and J. Sansalone. 2021. “Benchmarking Reynolds-averaged Navier–Stokes turbulence models for water clarification systems.” J. Environ. Eng. 147 (9): 04021031. https://doi.org/10.1061/(ASCE)EE.1943-7870.0001889.
Li, H., and J. Sansalone. 2022. “A CFD-ML augmented alternative to residence time for clarification basin scaling and design.” Water Res. 209 (Feb): 117965. https://doi.org/10.1016/j.watres.2021.117965.
Li, Y., Y. Wang, K. D. Pennell, and L. M. Briola. 2008. “Investigation of the transport and deposition of fullerene (C60) nanoparticles in quartz sands under varying flow conditions.” Environ. Sci. Technol. 42 (19): 7174–7180. https://doi.org/10.1021/es801305y.
Liu, B., G. Ying, and J. J. Sansalone. 2010. “Volumetric filtration of rainfall runoff. I: Event-based separation of particulate matter.” J. Environ. Eng. 136 (12): 1321–1330. https://doi.org/10.1061/(ASCE)EE.1943-7870.0000285.
Liu, D., J. J. Sansalone, and F. K. Cartledge. 2005a. “Adsorption kinetics for urban rainfall-runoff metals by composite oxide-coated polymeric media.” J. Environ. Eng. 131 (8): 1168–1177. https://doi.org/10.1061/(ASCE)0733-9372(2005)131:8(1168).
Liu, D., J. J. Sansalone, and F. K. Cartledge. 2005b. “Comparison of sorptive filter media for treatment of metals in runoff.” J. Environ. Eng. 131 (8): 1178–1186. https://doi.org/10.1061/(ASCE)0733-9372(2005)131:8(1178).
Liu, K., N. Zgheib, and S. Balachandar. 2020a. “On the spreading of non-canonical thermals from direct numerical simulations.” Phys. Fluids 32 (2): 026602. https://doi.org/10.1063/1.5138981.
Liu, X., and J. Zhang. 2019. Computational fluid dynamics: Applications in water, wastewater, and stormwater treatment. Reston, VA: ASCE.
Liu, X., J. Zhang, K. D. Nielsen, and Y. A. Cataño-Lopera. 2020b. “Challenges and opportunities of computational fluid dynamics in water, wastewater, and stormwater treatment.” J. Environ. Eng. 146 (11): 02520002. https://doi.org/10.1061/(ASCE)EE.1943-7870.0001815.
Luthy, R. G., J. M. Wolfand, and J. L. Bradshaw. 2020. “Urban water revolution: Sustainable water futures for California cities.” J. Environ. Eng. 146 (7): 04020065. https://doi.org/10.1061/(ASCE)EE.1943-7870.0001715.
Maestri, M., and A. Cuoci. 2013. “Coupling CFD with detailed microkinetic modeling in heterogeneous catalysis.” Chem. Eng. Sci. 96 (Jun): 106–117. https://doi.org/10.1016/j.ces.2013.03.048.
Mohammadnejad, H., S. Liao, B. A. Marion, K. D. Pennell, and L. M. Abriola. 2020. “Development and validation of a two-stage kinetic sorption model for polymer and surfactant transport in porous media.” Environ. Sci. Technol. 54 (8): 4912–4921. https://doi.org/10.1021/acs.est.0c00123.
Moukalled, F., L. Mangani, and M. Darwish. 2016. The finite volume method in computational fluid dynamics. New York: Springer.
National Stormwater Testing and Evaluation of Products and Practices Workgroup. 2014. “Investigation into the feasibility of a national testing and evaluation program for stormwater products and practices.” Accesssed September 26, 2019. https://www.wef.org/globalassets/assets-wef/3—resources/topics/o-z/stormwater/stormwater-institute/wef-stepp-white-paper_final_02-06-14.pdf.
Phlips, E. J., S. Badylak, N. G. Nelson, and K. E. Havens. 2020. “Hurricanes, El Niño and harmful algal blooms in two sub-tropical Florida estuaries: Direct and indirect impacts.” Sci. Rep. 10 (1): 1–12. https://doi.org/10.1038/s41598-020-58771-4.
Poursaeidesfahani, A., E. Andres-Garcia, M. de Lange, A. Torres-Knoop, M. Rigutto, N. Nair, F. Kapteijn, J. Gascon, D. Dubbeldam, and T. J. H. Vlugt. 2019. “Prediction of adsorption isotherms from breakthrough curves.” Microporous Mesoporous Mater. 277 (Mar): 237–244. https://doi.org/10.1016/j.micromeso.2018.10.037.
Renwick, W. H., R. O. Sleezer, and S. V. Smith. 2006. “Small artificial ponds in the United States: Impacts on sedimentation and carbon budget.” In Proc., 8th Federal Interagency Sedimentation Conference (8thFISC), Advisory Committee on Water Information, 738–744. Reston, VA: ASCE.
Rice, E., R. Baird, and A. Eaton. 2017. “4500-P PHOSPHORUS.” In Standard methods for the examination of water and wastewater. Washington, DC: American Public Health Association, American Water Works Association, Water Environment Federation.
Rice, E.W., R.B. Baird, and A.D. Eaton. 2017. 4500-P phosphorus, in: Standard Methods For the Examination of Water and Wastewater. Washington, DC: American Public Health Association, American Water Works Association, Water Environment Federation. https://doi.org/10.2105/SMWW.2882.093.
Roache, P. J. 2002. “Code verification by the method of manufactured solutions.” J. Fluids Eng. Trans. ASME 124 (1): 4–10. https://doi.org/10.1115/1.1436090.
Sabouni, R., H. Kazemian, and S. Rohani. 2013. “Mathematical modeling and experimental breakthrough curves of carbon dioxide adsorption on metal organic framework CPM-5.” Environ. Sci. Technol. 47 (16): 9372–9380. https://doi.org/10.1021/es401276r.
Sandu, A., J. G. Verwer, J. G. Blom, E. J. Spee, G. R. Carmichael, and F. A. Potra. 1997. “Benchmarking stiff ODE solvers for atmospheric chemistry problems II: Rosenbrock solvers.” Atmos. Environ. 31 (20): 3459–3472. https://doi.org/10.1016/S1352-2310(97)83212-8.
Sansalone, J., B. Liu, and G. Ying. 2010. “Volumetric filtration of rainfall runoff. II: Event-based and interevent nutrient fate.” J. Environ. Eng. 136 (12): 1331–1340. https://doi.org/10.1061/(ASCE)EE.1943-7870.0000286.
Sansalone, J., and J. Ma. 2011. “Parametric analysis and breakthrough modeling of phosphorus from Al-oxide filter media.” J. Environ. Eng. 137 (2): 108–118. https://doi.org/10.1061/(ASCE)EE.1943-7870.0000304.
Sansalone, J., and Z. Teng. 2004. “In situ partial exfiltration of rainfall runoff. I: Quality and quantity attenuation.” J. Environ. Eng. 130 (9): 990–1007. https://doi.org/10.1061/(ASCE)0733-9372(2004)130:9(990).
Sansalone, J. J., and S. G. Buchberger. 1997. “Partitioning and first flush of metals in urban roadway storm water.” J. Environ. Eng. 123 (2): 134–143. https://doi.org/10.1061/(ASCE)0733-9372(1997)123:2(134).
Sansalone, J. J., B. Liu, and J.-Y. Kim. 2009. “Volumetric clarifying filtration of urban source area rainfall runoff.” J. Environ. Eng. 135 (8): 609–620. https://doi.org/10.1061/(ASCE)EE.1943-7870.0000044.
Sansalone, J. J., and J. Ma. 2009. “Parametric evaluation of batch equilibria for storm-water phosphorus adsorption on aluminum oxide media.” J. Environ. Eng. 135 (9): 737–746. https://doi.org/10.1061/(ASCE)EE.1943-7870.0000041.
Sidhu, V., K. Barrett, D. Y. Park, Y. Deng, R. Datta, and D. Sarkar. 2021. “Wood mulch coated with iron-based water treatment residuals for the abatement of metals and phosphorus in simulated stormwater runoff.” Environ. Technol. Innovation 21 (Feb): 101214. https://doi.org/10.1016/j.eti.2020.101214.
Stenstrom, M. K., and J. F. Andrews. 1979. “Real-time control of activated sludge process.” J. Environ. Eng. Div. 105 (2): 245–260. https://doi.org/10.1061/JEEGAV.0000887.
Stephenson, J. L., and W. E. Stewart. 1986. “Optical measurements of porosity and fluid motion in packed beds.” Chem. Eng. Sci. 41 (8): 2161–2170. https://doi.org/10.1016/0009-2509(86)87132-9.
Tarabih, O. M., and M. E. Arias. 2021. “Hydrological and water quality trends through the lens of historical operation schedules in Lake Okeechobee.” J. Water Resour. Plann. Manage. 147 (7): 04021034. https://doi.org/10.1061/(ASCE)WR.1943-5452.0001395.
Tarantola, A. 2005. Inverse problem theory and methods for model parameter estimation. Philadelphia, PA: Society for Industrial and Applied Mathematics.
Tien, C. 2019. Introduction to adsorption. Amsterdam, Netherlands: Elsevier.
Univ. of Florida. 2021. “HiPerGator research computing.” Accessed January 8, 2021. https://www.rc.ufl.edu/about/hipergator/.
van Walsem, J., J. Roegiers, B. Modde, S. Lenaerts, and S. Denys. 2019. “Proof of concept of an upscaled photocatalytic multi-tube reactor: A combined modelling and experimental study.” Chem. Eng. J. 378 (Dec): 122038. https://doi.org/10.1016/j.cej.2019.122038.
van Walsem, J., S. W. Verbruggen, B. Modde, S. Lenaerts, and S. Denys. 2016. “CFD investigation of a multi-tube photocatalytic reactor in non-steady-state conditions.” Chem. Eng. J. 304 (Nov): 808–816. https://doi.org/10.1016/j.cej.2016.07.028.
Verbruggen, S. W. 2015. “TiO2 photocatalysis for the degradation of pollutants in gas phase: From morphological design to plasmonic enhancement.” J. Photochem. Photobiol., C 24 (Sep): 64–82. https://doi.org/10.1016/j.jphotochemrev.2015.07.001.
Verbruggen, S. W., M. Keulemans, J. van Walsem, T. Tytgat, S. Lenaerts, and S. Denys. 2016. “CFD modeling of transient adsorption/desorption behavior in a gas phase photocatalytic fiber reactor.” Chem. Eng. J. 292 (May): 42–50. https://doi.org/10.1016/j.cej.2016.02.014.
Wang, J., P. Zhang, L. Yang, and T. Huang. 2015. “Adsorption characteristics of construction waste for heavy metals from urban stormwater runoff.” Chin. J. Chem. Eng. 23 (9): 1542–1550. https://doi.org/10.1016/j.cjche.2015.06.009.
Weller, H. G., G. Tabor, H. Jasak, and C. Fureby. 1998. “A tensorial approach to computational continuum mechanics using object-oriented techniques.” Comput. Phys. 12 (6): 620. https://doi.org/10.1063/1.168744.
Wu, T., and J. Sansalone. 2013. “Phosphorus equilibrium. II: Comparing filter media, models, and leaching.” J. Environ. Eng. 139 (11): 1325–1335. https://doi.org/10.1061/(ASCE)EE.1943-7870.0000756.
Yang, Q., P. Zhao, and H. Ge. 2019. “reactingFoam-SCI: An open source CFD platform for reacting flow simulation.” Comput. Fluids 190 (Aug): 114–127. https://doi.org/10.1016/j.compfluid.2019.06.008.
Zhou, D., and S. Yang. 2020. “A robust reacting flow solver with detailed transport, chemistry, and steady-state preserving splitting schemes based on OpenFOAM and Cantera.” In Proc., AIAA Scitech 2020 Forum. Reston, VA: American Institute of Aeronautics and Astronautics. https://doi.org/10.2514/6.2020-2139.

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Journal of Environmental Engineering
Volume 148Issue 9September 2022

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Received: Nov 5, 2021
Accepted: Mar 25, 2022
Published online: Jun 24, 2022
Published in print: Sep 1, 2022
Discussion open until: Nov 24, 2022

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Assistant Professor, Dept. of Civil and Environmental Engineering, Univ. of Tennessee, Knoxville, TN 37996 (corresponding author). ORCID: https://orcid.org/0000-0002-2343-2813. Email: [email protected]
Professor, Engineering School of Sustainable Infrastructure and Environment, Univ. of Florida, Gainesville, FL 32611. ORCID: https://orcid.org/0000-0003-4061-8828. Email: [email protected]

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