Charge neutrality breakdown in confined aqueous electrolytes: Theory and simulation
作者： Matheus Girotto , Thiago Escobar Colla , Yan Levin , Alexandre Pereira dos Santos
DOI: 10.1063/1.4962198
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摘要: We study, using Density Functional theory (DFT) and Monte Carlo simulations, aqueous electrolyte solutions between charged infinite planar surfaces, in contact with a bulk salt …
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Daan Frenkel, Berend Smit, Long-Range Interactions Understanding Molecular Simulation (Second Edition)#R##N#From Algorithms to Applications. pp. 291- 320 ,(2002) , 10.1016/B978-012267351-1/50014-6
Guomin Yang, Longcheng Liu, A systematic comparison of different approaches of density functional theory for the study of electrical double layers Journal of Chemical Physics. ,vol. 142, pp. 194110- ,(2015) , 10.1063/1.4921376
Phil Attard, Electrolytes and the Electric Double Layer John Wiley & Sons, Inc.. pp. 1- 159 ,(2007) , 10.1002/9780470141519.CH1
Ladislav Šamaj, Emmanuel Trizac, Counterions at highly charged interfaces: from one plate to like-charge attraction. Physical Review Letters. ,vol. 106, pp. 078301- ,(2011) , 10.1103/PHYSREVLETT.106.078301
H L wen, Density functional theory of inhomogeneous classical fluids: recent developments and new perspectives Journal of Physics: Condensed Matter. ,vol. 14, pp. 11897- 11905 ,(2002) , 10.1088/0953-8984/14/46/301
Yaoqi Zhou, George Stell, Fluids inside a pore—an integral-equation approach Molecular Physics. ,vol. 66, pp. 767- 789 ,(1989) , 10.1080/00268978900100511
Amin Bakhshandeh, Alexandre P. dos Santos, Alexandre Diehl, Yan Levin, Interaction between random heterogeneously charged surfaces in an electrolyte solution Journal of Chemical Physics. ,vol. 142, pp. 194707- ,(2015) , 10.1063/1.4921410
Yaakov Rosenfeld, Free energy model for inhomogeneous fluid mixtures: Yukawa‐charged hard spheres, general interactions, and plasmas Journal of Chemical Physics. ,vol. 98, pp. 8126- 8148 ,(1993) , 10.1063/1.464569
Marcelo Lozada-Cassou, Jiang Yu, Correlation of charged fluids separated by a wall of finite thickness: Dependence on the charge of the fluid and the wall Physical Review E. ,vol. 56, pp. 2958- 2965 ,(1997) , 10.1103/PHYSREVE.56.2958
Yashwant Singh, Density-functional theory of freezing and properties of the ordered phase Physics Reports. ,vol. 207, pp. 351- 444 ,(1991) , 10.1016/0370-1573(91)90097-6