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dc.contributor.authorHatzell, Marta C.
dc.contributor.authorRaju, Muralikrishna
dc.contributor.authorWatson, Valerie J.
dc.contributor.authorStack, Andrew G.
dc.contributor.authorvan Duin, Adri C. T.
dc.contributor.authorLogan, Bruce E.
dc.date.accessioned2016-02-25T13:11:55Z
dc.date.available2016-02-25T13:11:55Z
dc.date.issued2014-11-17
dc.identifier.citationHatzell MC, Raju M, Watson VJ, Stack AG, van Duin ACT, et al. (2014) Effect of Strong Acid Functional Groups on Electrode Rise Potential in Capacitive Mixing by Double Layer Expansion. Environ Sci Technol 48: 14041–14048. Available: http://dx.doi.org/10.1021/es5043782.
dc.identifier.issn0013-936X
dc.identifier.issn1520-5851
dc.identifier.pmid25365360
dc.identifier.doi10.1021/es5043782
dc.identifier.urihttp://hdl.handle.net/10754/598061
dc.description.abstract© 2014 American Chemical Society. The amount of salinity-gradient energy that can be obtained through capacitive mixing based on double layer expansion depends on the extent the electric double layer (EDL) is altered in a low salt concentration (LC) electrolyte (e.g., river water). We show that the electrode-rise potential, which is a measure of the EDL perturbation process, was significantly (P = 10<sup>-5</sup>) correlated to the concentration of strong acid surface functional groups using five types of activated carbon. Electrodes with the lowest concentration of strong acids (0.05 mmol g<sup>-1</sup>) had a positive rise potential of 59 ± 4 mV in the LC solution, whereas the carbon with the highest concentration (0.36 mmol g<sup>-1</sup>) had a negative rise potential (-31 ± 5 mV). Chemical oxidation of a carbon (YP50) using nitric acid decreased the electrode rise potential from 46 ± 2 mV (unaltered) to -6 ± 0.5 mV (oxidized), producing a whole cell potential (53 ± 1.7 mV) that was 4.4 times larger than that obtained with identical electrode materials (from 12 ± 1 mV). Changes in the EDL were linked to the behavior of specific ions in a LC solution using molecular dynamics and metadynamics simulations. The EDL expanded in the LC solution when a carbon surface (pristine graphene) lacked strong acid functional groups, producing a positive-rise potential at the electrode. In contrast, the EDL was compressed for an oxidized surface (graphene oxide), producing a negative-rise electrode potential. These results established the linkage between rise potentials and specific surface functional groups (strong acids) and demonstrated on a molecular scale changes in the EDL using oxidized or pristine carbons.
dc.description.sponsorshipThis material is based upon work supported by the National Science Foundation Graduate Research Fellowship Program to M.C.H. under Grant No. (NSF) DGE1255832, and a grant from the King Abdullah University of Science and Technology (KAUST) (Award KUS-I1-003-13). A.C.T.V.D. and M.R. conducted reactive force field modeling with support from the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. A.G.S. conducted metadynamics modeling with support from the Division of Chemical Sciences, Geosciences and Biosciences, Office of Science, Office of Basic Energy Sciences, U.S. Department of Energy.
dc.publisherAmerican Chemical Society (ACS)
dc.titleEffect of Strong Acid Functional Groups on Electrode Rise Potential in Capacitive Mixing by Double Layer Expansion
dc.typeArticle
dc.identifier.journalEnvironmental Science & Technology
dc.contributor.institutionPennsylvania State University, State College, United States
dc.contributor.institutionOak Ridge National Laboratory, Oak Ridge, United States
dc.contributor.institutionGeorgia Institute of Technology, Atlanta, United States
kaust.grant.numberKUS-I1-003-13
dc.date.published-online2014-11-17
dc.date.published-print2014-12-02


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