Modeling the Capacitive Deionization Process in Dual-Porosity Electrodes

Gabitto, Jorge; Tsouris, Costas

doi:10.1007/s11242-016-0688-9

Title: Modeling the Capacitive Deionization Process in Dual-Porosity Electrodes

Journal Article · Thu Apr 28 00:00:00 EDT 2016 · Transport in Porous Media

DOI:https://doi.org/10.1007/s11242-016-0688-9· OSTI ID:1337047

Gabitto, Jorge ^[1]; Tsouris, Costas ^[2]

Prairie View A&M Univ., TX (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

In many areas of the world, there is a need to increase water availability. Capacitive deionization (CDI) is an electrochemical water treatment process that can be a viable alternative for treating water and for saving energy. A model is presented to simulate the CDI process in heterogeneous porous media comprising two different pore sizes. It is based on a theory for capacitive charging by ideally polarizable porous electrodes without Faradaic reactions or specific adsorption of ions. A two steps volume averaging technique is used to derive the averaged transport equations in the limit of thin electrical double layers. A one-equation model based on the principle of local equilibrium is derived. The constraints determining the range of application of the one-equation model are presented. The effective transport parameters for isotropic porous media are calculated solving the corresponding closure problems. The source terms that appear in the average equations are calculated using theoretical derivations. The global diffusivity is calculated by solving the closure problem.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: Work for Others (WFO); USDOE Laboratory Directed Research and Development (LDRD) Program

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1337047

Journal Information:: Transport in Porous Media, Vol. 113, Issue 1; ISSN 0169-3913

Publisher:: SpringerCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 7 works

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References (44)

Capacitive deionization as an electrochemical means of saving energy and delivering clean water. Comparison to present desalination practices: Will it compete? Anderson, Marc A.; Cudero, Ana L.; Palma, Jesus Electrochimica Acta, Vol. 55, Issue 12 https://doi.org/10.1016/j.electacta.2010.02.012	journal	April 2010
Attractive forces in microporous carbon electrodes for capacitive deionization Biesheuvel, P. M.; Porada, S.; Levi, M. Journal of Solid State Electrochemistry, Vol. 18, Issue 5 https://doi.org/10.1007/s10008-014-2383-5	journal	February 2014
Prediction of effective diffusivity tensors for bulk diffusion with chemical reactions in porous media Silva, E. A. Borges da; Souza, D. P.; Souza, A. A. Ulson de Brazilian Journal of Chemical Engineering, Vol. 24, Issue 1 https://doi.org/10.1590/S0104-66322007000100005	journal	March 2007
Dispersion Resulting from Flow through Spatially Periodic Porous Media Brenner, H. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 297, Issue 1430 https://doi.org/10.1098/rsta.1980.0205	journal	July 1980
Multi-Scale Analysis of Effective Transport in Periodic Heterogeneous Media Chang, Hsueh-Chia Chemical Engineering Communications, Vol. 15, Issue 1-4 https://doi.org/10.1080/00986448208911060	journal	April 1982
Effective diffusion and conduction in two-phase media: A unified approach Chang, Hsueh-Chia AIChE Journal, Vol. 29, Issue 5 https://doi.org/10.1002/aic.690290521	journal	September 1983
Nonlinear electrochemical relaxation around conductors Chu, Kevin T.; Bazant, Martin Z. Physical Review E, Vol. 74, Issue 1 https://doi.org/10.1103/PhysRevE.74.011501	journal	July 2006
Surface conservation laws at microscopically diffuse interfaces Chu, Kevin T.; Bazant, Martin Z. Journal of Colloid and Interface Science, Vol. 315, Issue 1 https://doi.org/10.1016/j.jcis.2007.06.024	journal	November 2007
Electrohydrodynamics in Porous Media del Río, J. A.; Whitaker, S. Transport in Porous Media, Vol. 44, Issue 2, p. 385-405 https://doi.org/10.1023/A:1010762226382	journal	January 2001
The importance of ion size and electrode curvature on electrical double layers in ionic liquids Feng, Guang; Qiao, Rui; Huang, Jingsong Phys. Chem. Chem. Phys., Vol. 13, Issue 3 https://doi.org/10.1039/C0CP02077J	journal	January 2011
Hierarchical porous carbons: design, preparation, and performance in energy storage Fu, Ruo-wen; Li, Zheng-hui; Liang, Ye-ru New Carbon Materials, Vol. 26, Issue 3 https://doi.org/10.1016/S1872-5805(11)60074-7	journal	June 2011
Volume Averaging Study of the Capacitive Deionization Process in Homogeneous Porous Media Gabitto, Jorge; Tsouris, Costas Transport in Porous Media, Vol. 109, Issue 1 https://doi.org/10.1007/s11242-015-0502-0	journal	May 2015
On the theorems for local volume averaging of multiphase systems Gray, W. G.; Lee, P. C. Y. International Journal of Multiphase Flow, Vol. 3, Issue 4 https://doi.org/10.1016/0301-9322(77)90013-1	journal	June 1977
A Variational Approach to the Theory of the Effective Magnetic Permeability of Multiphase Materials Hashin, Z.; Shtrikman, S. Journal of Applied Physics, Vol. 33, Issue 10 https://doi.org/10.1063/1.1728579	journal	October 1962
The spatial averaging theorem revisited Howes, Frederick A.; Whitaker, Stephen Chemical Engineering Science, Vol. 40, Issue 8 https://doi.org/10.1016/0009-2509(85)80078-6	journal	January 1985
A Universal Model for Nanoporous Carbon Supercapacitors Applicable to Diverse Pore Regimes, Carbon Materials, and Electrolytes Huang, Jingsong; Sumpter, Bobby G.; Meunier, Vincent Chemistry - A European Journal, Vol. 14, Issue 22 https://doi.org/10.1002/chem.200800639	journal	July 2008
Theoretical Model for Nanoporous Carbon Supercapacitors Huang, Jingsong; Sumpter, Bobby G.; Meunier, Vincent Angewandte Chemie International Edition, Vol. 47, Issue 3 https://doi.org/10.1002/anie.200703864	journal	January 2008
Desalting by Means of Porous Carbon Electrodes Johnson, A. M.; Newman, John Journal of The Electrochemical Society, Vol. 118, Issue 3 https://doi.org/10.1149/1.2408094	journal	January 1971
Hierarchical Porous Materials for Supercapacitors Li, Yan Hua; Zhang, Shi Ying; Yu, Qu Min Advanced Materials Research, Vol. 750-752 https://doi.org/10.4028/www.scientific.net/AMR.750-752.894	journal	August 2013
Electrophoretic Transport in Porous Media: A Volume-Averaging Approach Locke, Bruce R. Industrial & Engineering Chemistry Research, Vol. 37, Issue 2 https://doi.org/10.1021/ie970240w	journal	February 1998
Heat conduction in multiphase systems—I Nozad, I.; Carbonell, R. G.; Whitaker, S. Chemical Engineering Science, Vol. 40, Issue 5 https://doi.org/10.1016/0009-2509(85)85037-5	journal	January 1985
Bulk and surface diffusion in porous media: An application of the surface-averaging theorem Alberto Ochoa-Tapia, J.; Antonio Del Rio P., J.; Whitaker, Stephen Chemical Engineering Science, Vol. 48, Issue 11 https://doi.org/10.1016/0009-2509(93)80082-2	journal	January 1993
Diffusive transport in two-phase media: spatially periodic models and maxwell's theory for isotropic and anisotropic systems Alberto Ochoa-Tapia, J.; Stroeve, Pieter; Whitaker, Stephen Chemical Engineering Science, Vol. 49, Issue 5 https://doi.org/10.1016/0009-2509(94)85017-8	journal	January 1994
Review on the science and technology of water desalination by capacitive deionization Porada, S.; Zhao, R.; van der Wal, A. Progress in Materials Science, Vol. 58, Issue 8 https://doi.org/10.1016/j.pmatsci.2013.03.005	journal	October 2013
Transport in ordered and disordered porous media: volume-averaged equations, closure problems, and comparison with experiment Quintard, Michel; Whitaker, Stephen Chemical Engineering Science, Vol. 48, Issue 14 https://doi.org/10.1016/0009-2509(93)80266-S	journal	July 1993
Local thermal equilibrium for transient heat conduction: theory and comparison with numerical experiments Quintard, Michel; Whitaker, Stephen International Journal of Heat and Mass Transfer, Vol. 38, Issue 15 https://doi.org/10.1016/0017-9310(95)00028-8	journal	October 1995
Two-medium treatment of heat transfer in porous media: numerical results for effective properties Quintard, M.; Kaviany, M.; Whitaker, S. Advances in Water Resources, Vol. 20, Issue 2-3 https://doi.org/10.1016/S0309-1708(96)00024-3	journal	April 1997
Transport in chemically and mechanically heterogeneous porous media IV: large-scale mass equilibrium for solute transport with adsorption Quintard, Michel; Whitaker, Stephen Advances in Water Resources, Vol. 22, Issue 1 https://doi.org/10.1016/S0309-1708(97)00027-4	journal	September 1998
LVI. On the influence of obstacles arranged in rectangular order upon the properties of a medium Rayleigh, Lord The London, Edinburgh, and Dublin Philosophical Magazine and Journal of Science, Vol. 34, Issue 211 https://doi.org/10.1080/14786449208620364	journal	December 1892
Electrochemical Performance of Hierarchical Porous Carbon Materials Obtained from the Infiltration of Lignin into Zeolite Templates Ruiz-Rosas, R.; Valero-Romero, M. J.; Salinas-Torres, D. ChemSusChem, Vol. 7, Issue 5 https://doi.org/10.1002/cssc.201301408	journal	March 2014
Influence of temperature on the electrosorption of ions from aqueous solutions using mesoporous carbon materials Sharma, K.; Mayes, R. T.; Kiggans Jr., J. O. Separation and Purification Technology, Vol. 116 https://doi.org/10.1016/j.seppur.2013.05.038	journal	September 2013
Transport of Ions in Mesoporous Carbon Electrodes during Capacitive Deionization of High-Salinity Solutions Sharma, K.; Kim, Y. -H.; Gabitto, J. Langmuir, Vol. 31, Issue 3 https://doi.org/10.1021/la5043102	journal	July 2014
Impedance-based study of capacitive porous carbon electrodes with hierarchical and bimodal porosity Suss, Matthew E.; Baumann, Theodore F.; Worsley, Marcus A. Journal of Power Sources, Vol. 241 https://doi.org/10.1016/j.jpowsour.2013.03.178	journal	November 2013
Mesoporous Carbon for Capacitive Deionization of Saline Water Tsouris, C.; Mayes, R.; Kiggans, J. Environmental Science & Technology, Vol. 45, Issue 23 https://doi.org/10.1021/es201551e	journal	December 2011
The modelling of a textile dyeing process utilizing the method of volume averaging Souza, A. A. Ulson de; Whitaker, S. Brazilian Journal of Chemical Engineering, Vol. 20, Issue 4 https://doi.org/10.1590/S0104-66322003000400011	journal	October 2003
Diffusive mass transfer between a microporous medium and an homogeneous fluid: Jump boundary conditions Valdés-Parada, Francisco J.; Goyeau, Benoıˆt; Alberto Ochoa-Tapia, J. Chemical Engineering Science, Vol. 61, Issue 5 https://doi.org/10.1016/j.ces.2005.10.005	journal	March 2006
Capacitive Deionization of NaCl Solutions with Modified Activated Carbon Electrodes ^† Villar, Isabel; Roldan, Silvia; Ruiz, Vanesa Energy & Fuels, Vol. 24, Issue 6 https://doi.org/10.1021/ef901453q	journal	June 2010
Transient diffusion, adsorption and reaction in porous catalysts: The reaction controlled, quasi-steady catalytic surface Whitaker, Stephen Chemical Engineering Science, Vol. 41, Issue 12 https://doi.org/10.1016/0009-2509(86)85037-0	journal	January 1986
Local thermal equilibrium: An application to packed bed catalytic reactor design Whitaker, Stephen Chemical Engineering Science, Vol. 41, Issue 8 https://doi.org/10.1016/0009-2509(86)87119-6	journal	January 1986
Improved constraints for the principle of local thermal equilibrium Whitaker, Stephen Industrial & Engineering Chemistry Research, Vol. 30, Issue 5 https://doi.org/10.1021/ie00053a022	journal	May 1991
Electrosorption of Ions from Aqueous Solutions by Carbon Aerogel: An Electrical Double-Layer Model Yang, Kun-Lin; Ying, Tung-Yu; Yiacoumi, Sotira Langmuir, Vol. 17, Issue 6 https://doi.org/10.1021/la001527s	journal	March 2001
Development of Transport Equations for Multiphase Systems—III Zanotti, F.; Carbonell, R. G. Chemical Engineering Science, Vol. 39, Issue 2 https://doi.org/10.1016/0009-2509(84)80028-7	journal	January 1984
Hierarchical porous carbons prepared by an easy one-step carbonization and activation of phenol–formaldehyde resins with high performance for supercapacitors Zheng, Zhoujun; Gao, Qiuming Journal of Power Sources, Vol. 196, Issue 3 https://doi.org/10.1016/j.jpowsour.2010.09.010	journal	February 2011
Using mesoporous carbon electrodes for brackish water desalination Zou, Linda; Li, Lixia; Song, Huaihe Water Research, Vol. 42, Issue 8-9 https://doi.org/10.1016/j.watres.2007.12.022	journal	April 2008

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