Transport of non-newtonian suspensions of highly concentrated micro- and nanoscale iron particles in porous media: a modeling approach.

The use of zerovalent iron micro- and nanoparticles (MZVI and NZVI) for groundwater remediation is hindered by colloidal instability, causing aggregation (for NZVI) and sedimentation (for MZVI) of the particles. Transportability of MZVI and NZVI in porous media was previously shown to be significantly increased if viscous shear-thinning fluids (xanthan gum solutions) are used as carrier fluids. In this work, a novel modeling approach is proposed and applied for the simulation of 1D flow and transport of highly concentrated (20 g/L) non-newtonian suspensions of MZVI and NZVI, amended with xanthan gum (3 g/L). The coupled model is able to simulate the flow of a shear thinning fluid including the variable apparent viscosity arising from changes in xanthan and suspended iron particle concentrations. The transport of iron particles is modeled using a dual-site approach accounting for straining and physicochemical deposition/release phenomena. A general formulation for reversible deposition is herein proposed, that includes all commonly applied dynamics (linear attachment, blocking, ripening). Clogging of the porous medium due to deposition of iron particles is modeled by tying porosity and permeability to deposited iron particles. The numerical model proved to adequately fit the transport tests conducted using both MZVI and NZVI and can develop into a powerful tool for the design and the implementation of full scale zerovalent iron applications.

[1]  Richard L. Johnson,et al.  Nanotechnologies for environmental cleanup , 2006 .

[2]  Zhenghe Xu,et al.  Synthesis, Characterization, and Application of Magnetic Nanocomposites for the Removal of Heavy Metals from Industrial Effluents , 2008 .

[3]  D. R. Shonnard,et al.  Modeling the effects of systematic variation in ionic strength on the attachment kinetics of Pseudomonas fluorescens UPER‐1 in saturated sand columns , 1999 .

[4]  Navid B. Saleh,et al.  Aggregation and sedimentation of aqueous nanoscale zerovalent iron dispersions. , 2007, Environmental science & technology.

[5]  A. Müller,et al.  The role of shear and elongation in the flow of solutions of semi-flexible polymers through porous media , 2005 .

[6]  Martin J Blunt,et al.  Predictive network modeling of single-phase non-Newtonian flow in porous media. , 2003, Journal of colloid and interface science.

[7]  Rajandrea Sethi,et al.  Transport and retention of microparticles in packed sand columns at low and intermediate ionic strengths: experiments and mathematical modeling , 2011 .

[8]  M. M. Cross Rheology of non-Newtonian fluids: A new flow equation for pseudoplastic systems , 1965 .

[9]  Jirka Simunek,et al.  Physical factors affecting the transport and fate of colloids in saturated porous media , 2002 .

[10]  R. Sethi,et al.  MNM1D: A Numerical Code for Colloid Transport in Porous Media: Implementation and Validation , 2009 .

[11]  T. Hofmann,et al.  Nanosized Iron Oxide Colloids Strongly Enhance Microbial Iron Reduction , 2009, Applied and Environmental Microbiology.

[12]  P. M. J. Tardy,et al.  Models for flow of non-Newtonian and complex fluids through porous media , 2002 .

[13]  E. Atekwana,et al.  Geochemical and isotopic evidence of a groundwater source in the Corral Canyon meadow complex, central Nevada, USA , 2004 .

[14]  M. Elimelech,et al.  Dynamics of colloid deposition in porous media: Modeling the role of retained particles , 1993 .

[15]  M. Liberatore,et al.  Rheology and viscosity scaling of the polyelectrolyte xanthan gum , 2009 .

[16]  Rajandrea Sethi,et al.  Clamshell excavation of a permeable reactive barrier , 2006 .

[17]  R. Sethi,et al.  Transport in porous media of highly concentrated iron micro- and nanoparticles in the presence of xanthan gum. , 2009, Environmental science & technology.

[18]  Wolfgang Kinzelbach,et al.  Modeling of a microbial growth experiment with bioclogging in a two-dimensional saturated porous media flow field. , 2004, Journal of contaminant hydrology.

[19]  George E. Brown Modeling Colloid Attachment , Straining , and Exclusion in Saturated Porous Media , 2022 .

[20]  B. Logan,et al.  Blocking and ripening of colloids in porous media and their implications for bacterial transport , 1999 .

[21]  Bruno Dufour,et al.  Surface Modifications Enhance Nanoiron Transport and NAPL Targeting in Saturated Porous Media , 2007 .

[22]  Brian Berkowitz,et al.  Mixing-induced precipitation and porosity evolution in porous media , 2005 .

[23]  Dongye Zhao,et al.  Preparation and characterization of a new class of starch-stabilized bimetallic nanoparticles for degradation of chlorinated hydrocarbons in water. , 2005, Environmental science & technology.

[24]  D. Sholl,et al.  TCE dechlorination rates, pathways, and efficiency of nanoscale iron particles with different properties. , 2005, Environmental science & technology.

[25]  P. Engesgaard,et al.  Numerical analysis of biological clogging in two-dimensional sand box experiments. , 2001, Journal of contaminant hydrology.

[26]  R. Sethi,et al.  Enhanced transport of zerovalent iron nanoparticles in saturated porous media by guar gum , 2009 .

[27]  D. C. Mays,et al.  Hydrodynamic aspects of particle clogging in porous media. , 2005, Environmental science & technology.

[28]  E Klumpp,et al.  Transport and deposition of metabolically active and stationary phase Deinococcus radiodurans in unsaturated porous media. , 2007, Environmental science & technology.

[29]  David M. Cwiertny,et al.  Interpreting nanoscale size-effects in aggregated Fe-oxide suspensions: Reaction of Fe(II) with Goethite , 2008 .

[30]  V. S. Vaidhyanathan,et al.  Transport phenomena , 2005, Experientia.

[31]  Krzysztof Matyjaszewski,et al.  Ionic strength and composition affect the mobility of surface-modified Fe0 nanoparticles in water-saturated sand columns. , 2008, Environmental science & technology.

[32]  K. Sorbie,et al.  Experimental and modeling study of Newtonian and non-Newtonian fluid flow in pore network micromodels. , 2006, Journal of colloid and interface science.

[33]  D. Springael,et al.  Competition for sorption and degradation of chlorinated ethenes in batch zero-valent iron systems. , 2004, Environmental science & technology.

[34]  R. Sethi,et al.  Ionic strength dependent transport of microparticles in saturated porous media: modeling mobilization and immobilization phenomena under transient chemical conditions. , 2009, Environmental science & technology.

[35]  Dongye Zhao,et al.  Field assessment of carboxymethyl cellulose stabilized iron nanoparticles for in situ destruction of chlorinated solvents in source zones. , 2010, Water research.

[36]  Navid B. Saleh,et al.  Stabilization of aqueous nanoscale zerovalent iron dispersions by anionic polyelectrolytes: adsorbed anionic polyelectrolyte layer properties and their effect on aggregation and sedimentation , 2008 .

[37]  William P. Johnson,et al.  Colloid retention in porous media: mechanistic confirmation of wedging and retention in zones of flow stagnation. , 2007, Environmental science & technology.

[38]  R. Sethi,et al.  Reduced aggregation and sedimentation of zero-valent iron nanoparticles in the presence of guar gum. , 2008, Journal of colloid and interface science.

[39]  R. Sethi,et al.  Stabilization of highly concentrated suspensions of iron nanoparticles using shear-thinning gels of xanthan gum. , 2009, Water research.

[40]  Rajandrea Sethi,et al.  Rheological characterization of xanthan suspensions of nanoscale iron for injection in porous media. , 2011, Journal of hazardous materials.

[41]  W. Johnson,et al.  Direct observations of colloid retention in granular media in the presence of energy barriers, and implications for inferred mechanisms from indirect observations. , 2010, Water research.

[42]  Wei-xian Zhang,et al.  Nanoscale Iron Particles for Environmental Remediation: An Overview , 2003 .

[43]  Thomas F. Coleman,et al.  An Interior Trust Region Approach for Nonlinear Minimization Subject to Bounds , 1993, SIAM J. Optim..