Anti-Coulomb ion-ion interactions: A theoretical and computational study

被引：1
作者：
Wills, Alec [1 ,2 ]
Mannino, Anthony [1 ,2 ]
Losada, Isidro [2 ]
Mayo, Sara G. [3 ]
Soler, Jose M. [3 ]
Fernandez-Serra, Marivi [1 ,2 ]
机构：
[1] SUNY Stony Brook, Phys & Astron Dept, Stony Brook, NY 11794 USA
[2] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA
[3] Univ Autonoma Madrid, Dept Inst Fis Mat Condensada IFIMAC, E-28049 Madrid, Spain
来源：
PHYSICAL REVIEW RESEARCH | 2024年 / 6卷 / 03期
基金：
美国国家科学基金会;
关键词：
MOLECULAR-DYNAMICS SIMULATIONS; AMBIENT AQUEOUS-SOLUTION; COARSE-GRAINED MODEL; MEAN FORCE; ELECTROLYTE-SOLUTIONS; WATER; SOLVATION; PAIRS; POTENTIALS; MONOVALENT;
D O I：
10.1103/PhysRevResearch.6.033095
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The free energy of ion solvation can be decomposed into enthalpic and entropic contributions. This helps one to understand the connection between the dielectric properties and the underlying forces. We present a simple linear-response model of screened charge interactions that provides an alternative understanding of solvation barriers. Moreover, it explains the "anti-Coulomb" interactions (attraction between like-charged ions and repulsion between opposite-charged ions) observed in both simulations and experiments. We show that this is a universal behavior associated to the nonlocal response function of any dielectric or metallic systems.
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页数：9
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共 61 条
  • [1] A general purpose model for the condensed phases of water: TIP4P/2005
    Abascal, JLF
    Vega, C
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2005, 123 (23)
  • [2] Gromacs: High performance molecular simulations through multi-level parallelism from laptops to supercomputers
    Abraham, Mark James
    Murtola, Teemu
    Schulz, Roland
    Páll, Szilárd
    Smith, Jeremy C.
    Hess, Berk
    Lindah, Erik
    [J]. SoftwareX, 2015, 1-2 : 19 - 25
  • [3] TOTAL DIELECTRIC FUNCTION - ALGEBRAIC SIGN, ELECTRON-LATTICE RESPONSE, AND SUPERCONDUCTIVITY
    ALLEN, PB
    COHEN, ML
    PENN, DR
    [J]. PHYSICAL REVIEW B, 1988, 38 (04): : 2513 - 2525
  • [4] Electrolyte solutions: from thermodynamic and transport property models to the simulation of industrial processes
    Anderko, A
    Wang, PM
    Rafal, M
    [J]. FLUID PHASE EQUILIBRIA, 2002, 194 : 123 - 142
  • [5] Ashcroft N. W., 1976, Solid State Physics
  • [6] Surface structure at the ionic liquid-electrified metal interface
    Baldelli, Steven
    [J]. ACCOUNTS OF CHEMICAL RESEARCH, 2008, 41 (03) : 421 - 431
  • [7] THE MISSING TERM IN EFFECTIVE PAIR POTENTIALS
    BERENDSEN, HJC
    GRIGERA, JR
    STRAATSMA, TP
    [J]. JOURNAL OF PHYSICAL CHEMISTRY, 1987, 91 (24) : 6269 - 6271
  • [8] Electrostatic analysis of the interactions between charged particles of dielectric materials
    Bichoutskaia, Elena
    Boatwright, Adrian L.
    Khachatourian, Armik
    Stace, Anthony J.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (02)
  • [9] TRAVIS-A free analyzer for trajectories from molecular simulation
    Brehm, M.
    Thomas, M.
    Gehrke, S.
    Kirchner, B.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2020, 152 (16)
  • [10] A theory for like-charge attraction of polarizable ions
    Chan H.-K.
    [J]. Journal of Electrostatics, 2020, 105
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