Landau-Ginzburg theory for "star'-shaped droplets

被引:2
|
作者
Malevanets, Anatoly [1 ]
Oh, Myong In [2 ]
Sharawy, Mahmoud [2 ]
Consta, Styliani [2 ]
机构
[1] Univ Western Ontario, Dept Elect & Comp Engn, London, ON, Canada
[2] Univ Western Ontario, Dept Chem, London, ON N6A 5B7, Canada
基金
加拿大自然科学与工程研究理事会;
关键词
Charge-induced instability; droplet deformations; droplet-macroion interactions; Rayleigh limit; ELECTRIC-FIELD; MOLECULAR SIMULATION; AQUEOUS CLUSTERS; FORCE-FIELD; DISINTEGRATION; MECHANISMS; FISSION; LIQUIDS; SYSTEMS; GROMACS;
D O I
10.1080/00268976.2018.1513174
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Molecular simulations have shown that when a nano-drop comprising a single spherical central ion and a dielectric solvent is charged above a well-defined threshold, it acquires a stable star morphology. A linear continuum model of the star'-shapes comprised electrostatic and surface energy is not sufficient to describe these shapes. We employ combined molecular dynamics, continuum electrostatics and macroscopic modelling in order to construct a unified free energy functional that describes the observed star-shaped droplets. We demonstrate that the Landau free energy coupled to the third-order Steinhardt invariant mimics the shapes of droplets detected in molecular simulations. Using the maximum likelihood technique we build a universal free energy functional that describes droplets for a range of Rayleigh fissility parameter. The analysis of the macroscopic free energy demonstrates the origin of the finite amplitude perturbations just above the Rayleigh limit. We argue that the presence of the finite amplitude perturbations precludes the use of the small parameter perturbation method for the analysis of the shapes above the Rayleigh limit of the corresponding spherical shape. [GRAPHICS] .
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页码:2892 / 2900
页数:9
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