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ReportsIon Distributions near a Liquid-Liquid Interface sek,5
Mean field theories of ion distributions, such as the Gouy-Chapman theory that describes the distribution near a charged planar surface, ignore the molecular-scale structure in the liquid solution. The predictions of the Gouy-Chapman theory vary substantially from our x-ray reflectivity measurements of the interface between two electrolyte solutions. Molecular dynamics simulations, which include the liquid structure, were used to calculate the potential of mean force on a single ion. We used this potential of mean force in a generalized Poisson-Boltzmann equation to predict the full ion distributions. These distributions agree with our measurements without any adjustable parameters.
1 Department of Physics, University of Illinois at Chicago, Chicago, IL 60607, USA.
2 Department of Chemistry, University of Illinois at Chicago, Chicago, IL 60607, USA. 3 Center for Advanced Radiation Sources, University of Chicago, Chicago, IL 60637, USA. 4 Department of Chemistry, University of California, Santa Cruz, CA 95064, USA. 5 Department of Chemistry and Biochemistry, Northern Illinois University, DeKalb, IL 60115, USA. * To whom correspondence should be addressed. E-mail: schloss{at}uic.edu
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Science. ISSN 0036-8075 (print), 1095-9203 (online)
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