Arsenic removal by nanoscale zero-valent iron (NZVI) was modeled using the USGS geochemical program PHREEQC. The Dzombak and Morel adsorption model was used. The adsorption of As(V) onto NZVI was assumed to happen because of the hydrous ferric oxide (Hfo) which was the surface oxide for the model. The model predicted results were compared with the experimental data. While the experimental study reported that 99.57% arsenic removal by NZVI, the model predicted 99.82% removal which is about 0.25% variation. All the arsenic species have also been predicted to be significantly removed by adsorption onto NZVI surface. The effect of pH on As(V) removal efficiency was also evaluated using the model and it was found that above point-of-zero-charge (PZC), the adsorption of As(V) decreases with the increase of pH. The authors conclude that PHREEQC can be used to model contaminant adsorption by nanomaterials.
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Akram, Z., Jalali, S., Shami, S. A., Ahmad, L., Batool, S., & Kalsoom, O. (2010). Adverse effects of arsenic exposure on uterine function and structure in female rat. Experimental and Toxicologic Pathology, 62(4), 451–459.
Allison, J. D., Brown, D. S., & Novo-Gradac, K. J. (1990). MINTEQA2/PRODEFA2–a geochemical assessment model for environmental systems. Athens: US Environ. Protec. Agency.
Almeelbi, T., & Bezbaruah, A. N. (2012). Aqueous phosphate removal using nanoscale zero-valent iron. Journal of Nanoparticle Research, 14, 1–14.
Babaee, Y., Mulligan, C. N., & Rahaman, M. S. (2017). Stabilization of Fe/Cu nanoparticles by starch and efficiency of arsenic adsorption from aqueous solutions. Environment and Earth Science, 76, 1–12.
Bae, S., Collins, R. N., Waite, T. D., & Hanna, K. (2018). Advances in surface passivation of nanoscale zerovalent iron: a critical review. Enviromental Science & Technology, 52(21), 12010–12025.
Bezbaruah, A. N., Kalita, H., Almeelbi, T., Capecchi, C. L., Jacob, D. L., Ugrinov, A. G., & Payne, S. A. (2013). Ca-alginate-entrapped nanoscale iron: arsenic treatability and mechanism studies. Journal of Nanoparticle Research, 16: 2175(1). https://doi.org/10.1007/s11051-013-2175-3AQ7
Deng, W., Zhou, Z., Zhang, X., Yang, Y., Sun, Y., Wang, Y., & Liu, T. (2018). Remediation of arsenic (III) from aqueous solutions using zero-valent iron (ZVI) combined with potassium permanganate and ferrous ions. Water Science and Technology, 77(2), 375–386.
Dzombak, D. A., & Morel, F. M. M. (1990). Surface complexation modeling: hydrous ferric oxide. Toronto: Wiley.
Joshi, A., & Chaudhuri, M. (1996). Removal of arsenic from ground water by iron oxide-coated sand. Journal of Environmental Engineering-Asce, 122(8), 769–771.
Kanel, S. R., Manning, B., Charlet, L., & Choi, H. (2005). Removal of arsenic (III) from groundwater by nanoscale zero-valent iron. Environmental Science & Technology, 39(5), 1291–1298.
Kanel, S. R., Greneche, J. M., & Choi, H. (2006). Arsenic(V) removal from groundwater using nano scale zero-valent iron as a colloidal reactive barrier material. Environmental Science and Technology, 40(6), 2045–2050.
Krajangpan, S., Kalita, H., Chisholm, B. J., & Bezbaruah, A. N. (2012). Iron nanoparticles coated with amphiphilic polysiloxane graft copolymers: dispersibility and contaminant treatability. Environmental Science & Technology, 46(18), 10130–10136.
Lisabeth, L. D., Ahn, H. J., Chen, J. J., Sealy-Jefferson, S., Burke, J. F., & Meliker, J. R. (2010). Arsenic in drinking water and stroke hospitalizations in Michigan. Stroke, 41(11), 2499–2504.
Liu, A. R., Wang, W., Liu, J., Fu, R. B., & Zhang, W. X. (2018). Nanoencapsulation of arsenate with nanoscale zero-valent iron (nZVI): a 3D perspective. Science Bulletin, 63, 1641–1648.
Natural Research Council (NRC). (2001). Arsenic in drinking water.
Parkhurst, D.L., & Appelo, C.A.J. (2013) Description of input and examples for PHREEQC version 3—a computer program for speciation, batch-reaction, one-dimensional transport, and inverse geochemical calculations: U.S. Geological Survey Techniques and Methods, book 6, chap. A43, p. 497. Available only at https://pubs.usgs.gov/tm/06/a43/Accessed May 2019.
Rozell, D. P. E. (2010). Modeling the removal of arsenic by Iron oxide coated sand. Journal of Environmental Engineering-Asce, 136(2), 246–248.
Shiber, J. G. (2005). Arsenic in domestic well water and health in Central Appalachia, USA. Water Air and Soil Pollution, 160(1–4), 327–341.
Suazo-Hernández, J., Sepúlveda, P., Manquián-Cerda, K., Ramírez-Tagle, R., Rubio, M. A., Bolan, N., Sarkar, B., & Arancibia-Miranda, N. (2019). Synthesis and characterization of zeolite-based composites functionalized with nanoscale zero-valent iron for removing arsenic in the presence of selenium from water. Journal of Hazardous Materials, 373, 810–819.
Tang, S. C. N., & Lo, I. M. C. (2013). Magnetic nanoparticles: essential factors for sustainable environmental applications. Water Research, 47(8), 2613–2632.
Tucek, J., Prucek, R., Kolarik, J., Zoppellaro, J., Petr, M., Filip, J., Sharma, V. K., & Zboril, R. (2017). Zero-valent iron nanoparticles reduce arsenites and arsenates to as(0) firmly embedded in core-shell superstructure: challenging strategy of arsenic treatment under anoxic conditions. ACS Sustainable Chemistry & Engineering, 5, 3027–3038.
United States Environmental Protection Agency (USEPA). (2001). National primary drinking water regulations: arsenic and clarifications to compliance and new source contaminants monitoring: delay of effective date. Federal Register, 66, 28342–28350.
United States Environmental Protection Agency (USEPA). (2004). Capital costs of arsenic removal technologies U.S. EPA arsenic removal technology demonstration program round 1 (by Chen ASC, Wang L, Oxenham JL, Condit WE). EPA/600/R-04/201, Cincinnati.
Wang, C. M., Baer, D. R., Amonette, J. E., Engelhard, M. H., Antony, J., & Qiang, Y. (2009). Morphology and electronic structure of the oxide shell on the surface of iron nanoparticles. Journal of the American Chemical Society, 131(25), 8824–8832.
World Health Organization WHO. (2019). Arsenic. Avaialable at https://www.who.int/news-room/fact-sheets/detail/arsenic. Accessed May 2019.
Yan, W., Ramos, M. A. V., Koel, B. E., & Zhang, W. X. (2010). Multi-tiered distributions of arsenic in iron nanoparticles: observation of dual redox functionality enabled by a core-shell structure. Chemical Communications, 46(37), 6995–6997.
A part of the work was done with funding provided by the National Science Foundation (NSF grant no. CBET- 1707093, PI: Bezbaruah). Umma Rashid was partially supported by the North Dakota Water Resources Research Institute (NDWRRI) through a fellowship.
This article does not contain any studies with human participants performed by any of the authors.
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Rashid, U.S., Saini-Eidukat, B. & Bezbaruah, A.N. Modeling arsenic removal by nanoscale zero-valent iron. Environ Monit Assess 192, 110 (2020). https://doi.org/10.1007/s10661-020-8075-y
- Dzombek and Morel
- Zero-valent iron
- Hydrous ferric oxide