Simulation of the fate and transport of boron nanoparticles in two-dimensional saturated porous media

  • Chunmei BaiEmail author
  • Baisha Weng
  • Huan Sheng Lai


The wide production and application of engineered nanomaterials (ENMS) inevitably lead to their release in the groundwater environment. However, the release and transport of boron nanoparticles in the multi-dimensional subsurface remain largely unknown. In this work, a multi-dimensional numerical simulator for the transport of boron nanoparticles in the saturated porous media was first developed and validated. Hypothetical scenarios for the release of boron nanoparticles into a layered two-dimensional (2D) and heterogeneous 2D saturated porous media were then explored, and compared with the fullerene nanoparticles. The results demonstrated that the soil heterogeneity influenced the fate of nanoparticles, with high permeable layers and high aqueous-phase concentration. Besides, the boron nanoparticles tend to accumulate at the inlet zones, where it was closer to a nanoparticles source. Different layers of interface interaction also impact the concentration of nanoparticles. In general, the mobility and aqueous-phase concentration of fullerene nanoparticles were higher than those of the boron nanoparticles. In addition, the mobility of boron nanoparticles was found to be sensitive to release concentration, soil porosity and nanoparticle aggregate size.


Boron nanoparticles fullerene nanoparticles mobility subsurface heterogeneity 



The authors thank Dr Yusong Li at University of Nebraska-Lincoln for his helpful suggestions and discussions. This research was supported by the Project of the National Natural Science Foundation of China (51705078), Fuzhou University Research Funding Project (XRC-1546) and Fujian Provincial Department of Education Fund Project (JAT160050).


  1. Bai C, Eskridge K M and Li Y 2013 Analysis of the fate and transport of \(\text{ nC }_{60}\) nanoparticles in the subsurface using response surface methodology; J. Contam. Hydrol. 152 60–69.CrossRefGoogle Scholar
  2. Bai C and Li Y 2012 Modeling the transport and retention of \(\text{ nC }_{60}\) nanoparticles in the subsurface under different release scenarios; J. Contam. Hydrol. 136 43–55.CrossRefGoogle Scholar
  3. Bai C and Li Y 2014 Time series analysis of contaminant transport in the subsurface: Applications to conservative tracer and engineered nanomaterials; J. Contam. Hydrol. 164 153–162.CrossRefGoogle Scholar
  4. Barlebo H C, Hill M C and Rosbjerg D 2004 Investigating the Macrodispersion Experiment (MADE) site in Columbus, Mississippi, using a three-dimensional inverse flow and transport model; Water Resour. Res. 40(4) W04211.CrossRefGoogle Scholar
  5. Chen K L and Elimelech M 2006 Aggregation and deposition kinetics of fullerene (C-60) nanoparticles; Langmuir 22(26) 10994–11001.CrossRefGoogle Scholar
  6. Chen K L and Elimelech M 2007 Influence of humic acid on the aggregation kinetics of fullerene (C-60) nanoparticles in monovalent and divalent electrolyte solutions; J. Colloid Interface Sci.  309(1) 126–134.CrossRefGoogle Scholar
  7. Cheng X K, Kan A T and Tomson M B 2005 Study of C-60 transport in porous media and the effect of sorbed C-60 on naphthalene transport; J. Mater. Res. 20(12) 3244–3254.CrossRefGoogle Scholar
  8. Christ J A, Lemke L D and Abriola L M 2005 Comparison of two-dimensional and three-dimensional simulations of dense nonaqueous phase liquids (DNAPLs): Migration and entrapment in a nonuniform permeability field; Water Resour. Res. 41(1) W01007.CrossRefGoogle Scholar
  9. Cullen E, O’Carroll D M, Yanful E K and Sleep B 2010 Simulation of the subsurface mobility of carbon nanoparticles at the field scale; Adv. Water Resour. 33(4) 361–371.CrossRefGoogle Scholar
  10. Espinasse B, Hotze E M and Wiesner M R 2007 Transport and retention of colloidal aggregates of C-60 in porous media: Effects of organic macromolecules, ionic composition, and preparation method; Environ. Sci. Technol. 41(21) 7396–7402.CrossRefGoogle Scholar
  11. Hotze E M, Phenrat T and Lowry G V 2010 Nanoparticle aggregation: Challenges to understanding transport and reactivity in the environment; J. Environ. Qual. 39(6) 1909–1924.CrossRefGoogle Scholar
  12. Joo S H and Zhao D 2016 Environmental dynamics of metal oxide nanoparticles in heterogeneous systems: A review; J. Hazard. Mater. 322 29–47.CrossRefGoogle Scholar
  13. Kamat J P, Devasagayam T P A, Priyadarsini K I and Mohan H 2000 Reactive oxygen species mediated membrane damage induced by fullerene derivatives and its possible biological implications; Toxicology 155(1–3) 55–61.CrossRefGoogle Scholar
  14. Li Y S, Wang Y G, Pennell K D and Abriola L M 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.CrossRefGoogle Scholar
  15. Liu X, Wazne M, Christodoulatos C and Jasinkiewicz K L 2009 Aggregation and deposition behavior of boron nanoparticles in porous media; J. Colloid Interface Sci. 330(1) 90–96.CrossRefGoogle Scholar
  16. LuxResearch 2009 Nanomaterials state of the market Q1 2009: Cleantech’s dollar investments, Penny Returns; from
  17. Lyon D Y, Adams L K, Falkner J C and Alvarez P J J 2006 Antibacterial activity of fullerene water suspensions: Effects of preparation method and particle size; Environ. Sci. Technol. 40(14) 4360–4366.CrossRefGoogle Scholar
  18. Ma H, Pedel J, Fife P and Johnson W P 2009 Hemispheres-in-cell geometry to predict colloid deposition in porous media; Environ. Sci. Technol. 43(22) 8573–8579.CrossRefGoogle Scholar
  19. Mauter M S and Elimelech M 2008 Environmental applications of carbon-based nanomaterials; Environ. Sci. Technol. 42(16) 5843–5859.CrossRefGoogle Scholar
  20. Nakajima N, Nishi C, Li F M and Ikada Y 1996 Photo-induced cytotoxicity of water-soluble fullerene; Fullerene Sci. Technol. 4(1) 1–19.CrossRefGoogle Scholar
  21. Oberdorster E 2004 Manufactured nanomaterials (fullerenes, C-60) induce oxidative stress in the brain of juvenile largemouth bass; Environ. Health Perspect. 112(10) 1058–1062.CrossRefGoogle Scholar
  22. Saiers J E and Ryan J N 2005 Colloid deposition on non-ideal porous media: The influences of collector shape and roughness on the single-collector efficiency; Geophys. Res. Lett. 32(21) 1–5.CrossRefGoogle Scholar
  23. Sayes C M, Gobin A M, Ausman K D, Mendez J, West J L and Colvin V L 2005 Nano-C-60 cytotoxicity is due to lipid peroxidation; Biomaterials 26(36) 7587–7595.CrossRefGoogle Scholar
  24. Tufenkji N and Elimelech M 2004 Correlation equation for predicting single-collector efficiency in physicochemical filtration in saturated porous media; Environ. Sci. Technol. 38(2) 529–536.CrossRefGoogle Scholar
  25. UNEP 2007 Chapter 7: Emerging challenges-nanotechnology and the environment; In: GEO year book, United Nations Environment Programme Division of Early Warning and Assessment, Nairobi, pp. 61–70.Google Scholar
  26. Wang Y G, Li Y S, Abriola L M and Pennell K D 2008a Transport and retention of fullerene (C60) nanoparticles in natural soils; Eos Trans. AGU, Fall Meet. Suppl. 89(53) H43E-1059.Google Scholar
  27. Wang Y G, Li Y S and Pennell K D 2008b Influence of electrolyte species and concentration on the aggregation and transport of fullerene nanoparticles in quartz sands; Environ. Toxicol. Chem. 27(9) 1860–1867.CrossRefGoogle Scholar
  28. WWICS 2012 Nanotechnology consumer product inventory; from
  29. Yang K, Zhu L Z and Xing B S 2006 Adsorption of polycyclic aromatic hydrocarbons by carbon nanomaterials; Environ. Sci. Technol. 40(6) 1855–1861.CrossRefGoogle Scholar
  30. Yao K M, Habibian M M and Omelia C R 1971 Water and waste water filtration – Concepts and applications; Environ. Sci. Technol. 5 (11) 1105–1112.CrossRefGoogle Scholar
  31. Zheng C and Wang P P 1999 MT3DMS: A modular three-dimensional multi-dimensional multi-species model for simulation of advection, dispersion and chemical reactions of contaminants in groundwater systems: Documentation and user’s guide, U.S.A.E.R.a.D. Center, Vicksburg, MS.Google Scholar

Copyright information

© Indian Academy of Sciences 2018

Authors and Affiliations

  1. 1.Shenzhen Institutes of Advanced TechnologyChinese Academy of SciencesShenzhenPeople’s Republic of China
  2. 2.Shenzhen Audaque Data Technology Co. Ltd.ShenzhenPeople’s Republic of China
  3. 3.State Key Laboratory of Simulation and Regulation of Water Cycle in River BasinChina Institute of Water Resources and Hydropower ResearchBeijingPeople’s Republic of China
  4. 4.College of Chemical EngineeringFuzhou UniversityFuzhouPeople’s Republic of China

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