We present a novel, and computationally cheap, way to estimate electrostatic screening lengths from simulations of restricted primitive model (RPM) electrolytes. We demonstrate that the method is accurate by comparisons with simulated long-ranged parts of the charge density, at various Bjerrum lengths, salt concentrations and ion diameters. We find substantial underscreening in low dielectric solvent, but with an "aqueous" solvent, there is instead overscreening, the degree of which increases with ion size. Our method also offers a possible path to (future) more accurate classical density functional treatments of ionic fluids. We present a novel, and computationally cheap, way to estimate electrostatic screening lengths from simulations of restricted primitive model (RPM) electrolytes.
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Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Humboldt Univ, Inst Phys, D-12489 Berlin, GermanyRes Grp Simulat Energy Mat, D-14109 Berlin, Germany
Park, Chanbum
Nikam, Rohit
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Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Humboldt Univ, Inst Phys, D-12489 Berlin, GermanyRes Grp Simulat Energy Mat, D-14109 Berlin, Germany
Nikam, Rohit
Kanduc, Matej
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Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Jozef Stefan Inst, SI-1000 Ljubljana, SloveniaRes Grp Simulat Energy Mat, D-14109 Berlin, Germany
Kanduc, Matej
Dzubiella, Joachim
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Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Albert Ludwigs Univ Freiburg, Inst Phys, Appl Theoret Phys Computat Phys, D-79104 Freiburg, GermanyRes Grp Simulat Energy Mat, D-14109 Berlin, Germany
机构:
Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Humboldt Univ, Inst Phys, D-12489 Berlin, GermanyRes Grp Simulat Energy Mat, D-14109 Berlin, Germany
Park, Chanbum
Nikam, Rohit
论文数: 0引用数: 0
h-index: 0
机构:
Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Humboldt Univ, Inst Phys, D-12489 Berlin, GermanyRes Grp Simulat Energy Mat, D-14109 Berlin, Germany
Nikam, Rohit
Kanduc, Matej
论文数: 0引用数: 0
h-index: 0
机构:
Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Jozef Stefan Inst, SI-1000 Ljubljana, SloveniaRes Grp Simulat Energy Mat, D-14109 Berlin, Germany
Kanduc, Matej
Dzubiella, Joachim
论文数: 0引用数: 0
h-index: 0
机构:
Res Grp Simulat Energy Mat, D-14109 Berlin, Germany
Albert Ludwigs Univ Freiburg, Inst Phys, Appl Theoret Phys Computat Phys, D-79104 Freiburg, GermanyRes Grp Simulat Energy Mat, D-14109 Berlin, Germany