Pore-scale study of multiphase reactive transport in fibrous electrodes of vanadium redox flow batteries
Abstract
The electrode of a vanadium redox flow battery generally is a carbon fibre-based porous medium, in which important physicochemical processes occur. In this work, pore-scale simulations are performed to study complex multiphase flow and reactive transport in the electrode by using the lattice Boltzmann method (LBM). Four hundred fibrous electrodes with different fibre diameters and porosities are reconstructed. Both the permeability and diffusivity of the reconstructed electrodes are predicted and compared with empirical relationships in the literature. Reactive surface area of the electrodes is also evaluated and it is found that existing empirical relationship overestimates the reactive surface under lower porosities. Further, a pore-scale electrochemical reaction model is developed to study the effects of fibre diameter and porosity on electrolyte flow, VII/VIII transport, and electrochemical reaction at the electrolyte-fibre surface. Finally, evolution of bubble cluster generated by the side reaction is studied by adopting a LB multiphase flow model. Effects of porosity, fibre diameter, gas saturation and solid surface wettability on average bubble diameter and reduction of reactive surface area due to coverage of bubbles on solid surface are investigated in detail. It is found that gas coverage ratio is always lower than that adopted in the continuum model inmore »
- Authors:
-
- Xi'an Jiaotong Univ., Shaanxi (China); Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Xi'an Jiaotong Univ., Shaanxi (China)
- Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
- Publication Date:
- Research Org.:
- Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)
- Sponsoring Org.:
- USDOE Laboratory Directed Research and Development (LDRD) Program
- OSTI Identifier:
- 1374359
- Report Number(s):
- LA-UR-17-25691
Journal ID: ISSN 0013-4686
- Grant/Contract Number:
- AC52-06NA25396
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Electrochimica Acta
- Additional Journal Information:
- Journal Volume: 248; Journal Issue: C; Journal ID: ISSN 0013-4686
- Publisher:
- Elsevier
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; 25 ENERGY STORAGE; Energy Sciences
Citation Formats
Chen, Li, He, YaLing, Tao, Wen -Quan, Zelenay, Piotr, Mukundan, Rangachary, and Kang, Qinjun. Pore-scale study of multiphase reactive transport in fibrous electrodes of vanadium redox flow batteries. United States: N. p., 2017.
Web. doi:10.1016/j.electacta.2017.07.086.
Chen, Li, He, YaLing, Tao, Wen -Quan, Zelenay, Piotr, Mukundan, Rangachary, & Kang, Qinjun. Pore-scale study of multiphase reactive transport in fibrous electrodes of vanadium redox flow batteries. United States. https://doi.org/10.1016/j.electacta.2017.07.086
Chen, Li, He, YaLing, Tao, Wen -Quan, Zelenay, Piotr, Mukundan, Rangachary, and Kang, Qinjun. Fri .
"Pore-scale study of multiphase reactive transport in fibrous electrodes of vanadium redox flow batteries". United States. https://doi.org/10.1016/j.electacta.2017.07.086. https://www.osti.gov/servlets/purl/1374359.
@article{osti_1374359,
title = {Pore-scale study of multiphase reactive transport in fibrous electrodes of vanadium redox flow batteries},
author = {Chen, Li and He, YaLing and Tao, Wen -Quan and Zelenay, Piotr and Mukundan, Rangachary and Kang, Qinjun},
abstractNote = {The electrode of a vanadium redox flow battery generally is a carbon fibre-based porous medium, in which important physicochemical processes occur. In this work, pore-scale simulations are performed to study complex multiphase flow and reactive transport in the electrode by using the lattice Boltzmann method (LBM). Four hundred fibrous electrodes with different fibre diameters and porosities are reconstructed. Both the permeability and diffusivity of the reconstructed electrodes are predicted and compared with empirical relationships in the literature. Reactive surface area of the electrodes is also evaluated and it is found that existing empirical relationship overestimates the reactive surface under lower porosities. Further, a pore-scale electrochemical reaction model is developed to study the effects of fibre diameter and porosity on electrolyte flow, VII/VIII transport, and electrochemical reaction at the electrolyte-fibre surface. Finally, evolution of bubble cluster generated by the side reaction is studied by adopting a LB multiphase flow model. Effects of porosity, fibre diameter, gas saturation and solid surface wettability on average bubble diameter and reduction of reactive surface area due to coverage of bubbles on solid surface are investigated in detail. It is found that gas coverage ratio is always lower than that adopted in the continuum model in the literature. Furthermore, the current pore-scale studies successfully reveal the complex multiphase flow and reactive transport processes in the electrode, and the simulation results can be further upscaled to improve the accuracy of the current continuum-scale models.},
doi = {10.1016/j.electacta.2017.07.086},
journal = {Electrochimica Acta},
number = C,
volume = 248,
place = {United States},
year = {Fri Jul 21 00:00:00 EDT 2017},
month = {Fri Jul 21 00:00:00 EDT 2017}
}
Web of Science
Works referenced in this record:
Redox flow batteries a review
journal, September 2011
- Weber, Adam Z.; Mench, Matthew M.; Meyers, Jeremy P.
- Journal of Applied Electrochemistry, Vol. 41, Issue 10, p. 1137-1164
Progress in Flow Battery Research and Development
journal, June 2011
- Skyllas-Kazacos, M.; Chakrabarti, M. H.; Hajimolana, S. A.
- Journal of The Electrochemical Society, Vol. 158, Issue 8, p. R55-R79
Recent Progress in Redox Flow Battery Research and Development
journal, September 2012
- Wang, Wei; Luo, Qingtao; Li, Bin
- Advanced Functional Materials, Vol. 23, Issue 8, p. 970-986
Progress in redox flow batteries, remaining challenges and their applications in energy storage
journal, January 2012
- Leung, Puiki; Li, Xiaohong; Ponce de León, Carlos
- RSC Advances, Vol. 2, Issue 27
Engineering aspects of the design, construction and performance of modular redox flow batteries for energy storage
journal, June 2017
- Arenas, L. F.; Ponce de León, C.; Walsh, F. C.
- Journal of Energy Storage, Vol. 11
Investigation of the V(V)/V(IV) system for use in the positive half-cell of a redox battery
journal, October 1985
- Sum, E.; Rychcik, M.; Skyllas-kazacos, M.
- Journal of Power Sources, Vol. 16, Issue 2, p. 85-95
Characteristics of a new all-vanadium redox flow battery
journal, January 1988
- Rychcik, M.; Skyllas-Kazacos, M.
- Journal of Power Sources, Vol. 22, Issue 1
A dynamic performance model for redox-flow batteries involving soluble species
journal, November 2008
- Shah, A. A.; Watt-Smith, M. J.; Walsh, F. C.
- Electrochimica Acta, Vol. 53, Issue 27, p. 8087-8100
A simple model for the vanadium redox battery
journal, November 2009
- You, Dongjiang; Zhang, Huamin; Chen, Jian
- Electrochimica Acta, Vol. 54, Issue 27
Non-isothermal modelling of the all-vanadium redox flow battery
journal, December 2009
- Al-Fetlawi, H.; Shah, A. A.; Walsh, F. C.
- Electrochimica Acta, Vol. 55, Issue 1
Modelling the effects of oxygen evolution in the all-vanadium redox flow battery
journal, March 2010
- Al-Fetlawi, H.; Shah, A. A.; Walsh, F. C.
- Electrochimica Acta, Vol. 55, Issue 9
Dynamic modelling of hydrogen evolution effects in the all-vanadium redox flow battery
journal, January 2010
- Shah, A. A.; Al-Fetlawi, H.; Walsh, F. C.
- Electrochimica Acta, Vol. 55, Issue 3
Numerical investigations of flow field designs for vanadium redox flow batteries
journal, May 2013
- Xu, Q.; Zhao, T. S.; Leung, P. K.
- Applied Energy, Vol. 105
A Dynamic Unit Cell Model for the All-Vanadium Flow Battery
journal, January 2011
- Shah, A. A.; Tangirala, R.; Singh, R.
- Journal of The Electrochemical Society, Vol. 158, Issue 6
Performance Modeling of a Vanadium Redox Flow Battery during Discharging
journal, February 2015
- Yang, W. W.; He, Y. L.; Li, Y. S.
- Electrochimica Acta, Vol. 155
The importance of key operational variables and electrolyte monitoring to the performance of an all vanadium redox flow battery: Performance of an all vanadium redox flow battery
journal, August 2012
- Watt-Smith, M. J.; Ridley, P.; Wills, R. G. A.
- Journal of Chemical Technology & Biotechnology, Vol. 88, Issue 1
The continued development of reticulated vitreous carbon as a versatile electrode material: Structure, properties and applications
journal, October 2016
- Walsh, F. C.; Arenas, L. F.; Ponce de León, C.
- Electrochimica Acta, Vol. 215
Multi-scale modeling of proton exchange membrane fuel cell by coupling finite volume method and lattice Boltzmann method
journal, August 2013
- Chen, Li; Feng, Yong-Liang; Song, Chen-Xi
- International Journal of Heat and Mass Transfer, Vol. 63
Pore-scale modeling of two-phase transport in polymer electrolyte fuel cells—progress and perspective
journal, January 2011
- Mukherjee, Partha P.; Kang, Qinjun; Wang, Chao-Yang
- Energy Environ. Sci., Vol. 4, Issue 2
Lattice Boltzmann Method for Fluid Flows
journal, January 1998
- Chen, Shiyi; Doolen, Gary D.
- Annual Review of Fluid Mechanics, Vol. 30, Issue 1
Lattice-Boltzmann Method for Complex Flows
journal, January 2010
- Aidun, Cyrus K.; Clausen, Jonathan R.
- Annual Review of Fluid Mechanics, Vol. 42, Issue 1
A critical review of the pseudopotential multiphase lattice Boltzmann model: Methods and applications
journal, September 2014
- Chen, Li; Kang, Qinjun; Mu, Yutong
- International Journal of Heat and Mass Transfer, Vol. 76
Pore-scale analysis of effects of electrode morphology and electrolyte flow conditions on performance of vanadium redox flow batteries
journal, December 2012
- Qiu, Gang; Dennison, C. R.; Knehr, K. W.
- Journal of Power Sources, Vol. 219
3-D pore-scale resolved model for coupled species/charge/fluid transport in a vanadium redox flow battery
journal, March 2012
- Qiu, Gang; Joshi, Abhijit S.; Dennison, C. R.
- Electrochimica Acta, Vol. 64
Lattice Boltzmann method for microfluidics: models and applications
journal, April 2010
- Zhang, Junfeng
- Microfluidics and Nanofluidics, Vol. 10, Issue 1
Lattice Boltzmann modeling of bubble formation and dendritic growth in solidification of binary alloys
journal, March 2016
- Sun, Dongke; Zhu, Mingfang; Wang, Jun
- International Journal of Heat and Mass Transfer, Vol. 94
Lattice Boltzmann pore-scale model for multicomponent reactive transport in porous media: MULTICOMPONENT REACTIVE TRANSPORT
journal, May 2006
- Kang, Qinjun; Lichtner, Peter C.; Zhang, Dongxiao
- Journal of Geophysical Research: Solid Earth, Vol. 111, Issue B5
Simulation of multicomponent fluids in complex three-dimensional geometries by the lattice Boltzmann method
journal, January 1996
- Martys, Nicos S.; Chen, Hudong
- Physical Review E, Vol. 53, Issue 1
Permeability of Three-Dimensional Random Fiber Webs
journal, January 1998
- Koponen, A.; Kandhai, D.; Hellén, E.
- Physical Review Letters, Vol. 80, Issue 4
Generalized lattice Boltzmann model for flow through tight porous media with Klinkenberg's effect
journal, March 2015
- Chen, Li; Fang, Wenzhen; Kang, Qinjun
- Physical Review E, Vol. 91, Issue 3
Lattice Boltzmann simulations of anisotropic permeabilities in carbon paper gas diffusion layers
journal, January 2009
- Hao, Liang; Cheng, Ping
- Journal of Power Sources, Vol. 186, Issue 1
A comparative study of carbon felt and activated carbon based electrodes for sodium polysulfide/bromine redox flow battery
journal, September 2006
- Zhou, Hantao; Zhang, Huamin; Zhao, Ping
- Electrochimica Acta, Vol. 51, Issue 28, p. 6304-6312
Investigation of Ir-modified carbon felt as the positive electrode of an all-vanadium redox flow battery
journal, August 2007
- Wang, W. H.; Wang, X. D.
- Electrochimica Acta, Vol. 52, Issue 24
Pore-scale flow and mass transport in gas diffusion layer of proton exchange membrane fuel cell with interdigitated flow fields
journal, January 2012
- Chen, Li; Luan, Hui-Bao; He, Ya-Ling
- International Journal of Thermal Sciences, Vol. 51
Multiple–relaxation–time lattice Boltzmann models in three dimensions
journal, March 2002
- d'Humières, Dominique
- Philosophical Transactions of the Royal Society of London. Series A: Mathematical, Physical and Engineering Sciences, Vol. 360, Issue 1792
Permeability of Unidirectional Reinforcements for RTM
journal, August 1992
- Gebart, B. R.
- Journal of Composite Materials, Vol. 26, Issue 8
Hydraulic permeability of (un)bounded fibrous media using the lattice Boltzmann method
journal, January 2000
- Clague, D. S.; Kandhai, B. D.; Zhang, R.
- Physical Review E, Vol. 61, Issue 1
Viscous Permeability of Random Fiber Structures: Comparison of Electrical and Diffusional Estimates with Experimental and Analytical Results
journal, January 2005
- Tomadakis, Manolis M.; Robertson, Teri J.
- Journal of Composite Materials, Vol. 39, Issue 2
A general model for the permeability of fibrous porous media based on fluid flow simulations using the lattice Boltzmann method
journal, July 2009
- Nabovati, Aydin; Llewellin, Edward W.; Sousa, Antonio C. M.
- Composites Part A: Applied Science and Manufacturing, Vol. 40, Issue 6-7
Lattice Boltzmann Pore-Scale Investigation of Coupled Physical-electrochemical Processes in C/Pt and Non-Precious Metal Cathode Catalyst Layers in Proton Exchange Membrane Fuel Cells
journal, March 2015
- Chen, Li; Wu, Gang; Holby, Edward F.
- Electrochimica Acta, Vol. 158
Lattice Boltzmann model for melting with natural convection
journal, October 2008
- Huber, Christian; Parmigiani, Andrea; Chopard, Bastien
- International Journal of Heat and Fluid Flow, Vol. 29, Issue 5
Pore-scale modeling of multiphase reactive transport with phase transitions and dissolution-precipitation processes in closed systems
journal, April 2013
- Chen, Li; Kang, Qinjun; Robinson, Bruce A.
- Physical Review E, Vol. 87, Issue 4
Nanoscale simulation of shale transport properties using the lattice Boltzmann method: permeability and diffusivity
journal, January 2015
- Chen, Li; Zhang, Lei; Kang, Qinjun
- Scientific Reports, Vol. 5, Issue 1
Thermal conductivity enhancement of carbon fiber composites
journal, February 2009
- Wang, Moran; Kang, Qinjun; Pan, Ning
- Applied Thermal Engineering, Vol. 29, Issue 2-3
Ordinary and transition regime diffusion in random fiber structures
journal, March 1993
- Tomadakis, Manolis M.; Sotirchos, Stratis V.
- AIChE Journal, Vol. 39, Issue 3
Effective diffusivity in partially-saturated carbon-fiber gas diffusion layers: Effect of local saturation and application to macroscopic continuum models
journal, November 2015
- García-Salaberri, Pablo A.; Gostick, Jeff T.; Hwang, Gisuk
- Journal of Power Sources, Vol. 296
Behaviour of a carbon felt flow by electrodes Part I: Mass transfer characteristics
journal, September 1991
- Carta, R.; Palmas, S.; Polcaro, A. M.
- Journal of Applied Electrochemistry, Vol. 21, Issue 9
An improved lattice Boltzmann model for multicomponent reactive transport in porous media at the pore scale: MULTICOMPONENT REACTIVE TRANSPORT
journal, November 2007
- Kang, Qinjun; Lichtner, Peter C.; Zhang, Dongxiao
- Water Resources Research, Vol. 43, Issue 12
General bounce-back scheme for concentration boundary condition in the lattice-Boltzmann method
journal, January 2012
- Zhang, Ting; Shi, Baochang; Guo, Zhaoli
- Physical Review E, Vol. 85, Issue 1
Lattice Boltzmann model for simulating flows with multiple phases and components
journal, March 1993
- Shan, Xiaowen; Chen, Hudong
- Physical Review E, Vol. 47, Issue 3
Pore-scale investigation of viscous coupling effects for two-phase flow in porous media
journal, August 2005
- Li, Huina; Pan, Chongxun; Miller, Cass T.
- Physical Review E, Vol. 72, Issue 2
A lattice Boltzmann study of viscous coupling effects in immiscible two-phase flow in porous media
journal, June 2007
- Yiotis, Andreas G.; Psihogios, John; Kainourgiakis, Michael E.
- Colloids and Surfaces A: Physicochemical and Engineering Aspects, Vol. 300, Issue 1-2
Multicomponent interparticle-potential lattice Boltzmann model for fluids with large viscosity ratios
journal, September 2012
- Porter, Mark L.; Coon, E. T.; Kang, Q.
- Physical Review E, Vol. 86, Issue 3
Works referencing / citing this record:
Exploring the Impact of Electrode Microstructure on Redox Flow Battery Performance Using a Multiphysics Pore Network Model
journal, January 2019
- Sadeghi, Mohammad Amin; Aganou, Mehrez; Kok, Matthew
- Journal of The Electrochemical Society, Vol. 166, Issue 10
Progress in 3D electrode microstructure modelling for fuel cells and batteries: transport and electrochemical performance
journal, July 2019
- Zhang, Duo; Bertei, Antonio; Tariq, Farid
- Progress in Energy, Vol. 1, Issue 1
Electric and Hydraulic Properties of Carbon Felt Immersed in Different Dielectric Liquids
journal, April 2018
- Kossenko, Alexey; Lugovskoy, Svetlana; Averbukh, Moshe
- Materials, Vol. 11, Issue 4
Electric and Hydraulic Properties of Carbon Felt Immersed in Different Dielectric Liquids
journal, April 2018
- Kossenko, Alexey; Lugovskoy, Svetlana; Averbukh, Moshe
- Materials, Vol. 11, Issue 4