Charged dielectric spheres interacting in electrolytic solution: A linearized Poisson-Boltzmann equation model

被引:15
作者
Siryk, Sergii V. [1 ]
Bendandi, Artemi [2 ,3 ]
Diaspro, Alberto [2 ,3 ]
Rocchia, Walter [1 ]
机构
[1] Ist Italiano Tecnol, CONCEPT Lab, Via E Melen 83, I-16152 Genoa, Italy
[2] Ist Italiano Tecnol, CHT Erzelli, Nanoscopy, Via E Melen 83, I-16152 Genoa, Italy
[3] Univ Genoa, Dept Phys, DIFILAB, Via Dodecaneso 33, I-16149 Genoa, Italy
关键词
2; SPHERICAL-PARTICLES; ELECTROSTATIC INTERACTION; DIELECTROPHORETIC FORCE; COLLOIDAL PARTICLES; FREE-ENERGY; SIZE; MACROPARTICLES; CAVITY; IONS;
D O I
10.1063/5.0056120
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
We present an analytical theory of electrostatic interactions of two spherical dielectric particles of arbitrary radii and dielectric constants, immersed into a polarizable ionic solvent (assuming that the linearized Poisson-Boltzmann framework holds) and bearing arbitrary charge distributions expanded in multipolar terms. The presented development entails a novel two-center re-expansion analytical theory that expands upon and improves the existing ones, bypassing the conventional expansions in modified Bessel functions. On this basis, we develop a specific matrix formalism that facilitates the construction of asymptotic expansions in ascending order of Debye screening terms of potential coefficients, which are then employed to find exact closed-form expressions for the total electrostatic energy. In particular, this work allows us to explicitly and precisely quantify the k-screened terms of the potential coefficients and mutual interaction energy. Specific cases of monopolar and dipolar distributions are described in particular detail. Comprehensive numerical examples and tests of series convergence and the relative balance of leading and higher-order terms of the mutual interaction energy are presented depending on the inter-particle distance and particles' radii. The results of this work find application in soft matter modeling and, in particular, in computational biophysics and colloid science, where the availability of increasingly larger experimental structures at the atomic-level resolution makes numerical treatment challenging and calls for more efficient expressions and an increased range of validity.
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页数:36
相关论文
共 84 条
[1]   CHARGE RENORMALIZATION, OSMOTIC-PRESSURE, AND BULK MODULUS OF COLLOIDAL CRYSTALS - THEORY [J].
ALEXANDER, S ;
CHAIKIN, PM ;
GRANT, P ;
MORALES, GJ ;
PINCUS, P ;
HONE, D .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (11) :5776-5781
[2]   Screening of charged spheroidal colloidal particles [J].
Alvarez, Carlos ;
Tellez, Gabriel .
JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (14)
[3]  
[Anonymous], 1966, A treatise on the theory of Bessel functions
[4]   Efficient and accurate simulation of dynamic dielectric objects [J].
Barros, Kipton ;
Sinkovits, Daniel ;
Luijten, Erik .
JOURNAL OF CHEMICAL PHYSICS, 2014, 140 (06)
[5]  
Bateman H., 1985, Higher transcendental functions, VII
[6]   Electrostatic analysis of the interactions between charged particles of dielectric materials [J].
Bichoutskaia, Elena ;
Boatwright, Adrian L. ;
Khachatourian, Armik ;
Stace, Anthony J. .
JOURNAL OF CHEMICAL PHYSICS, 2010, 133 (02)
[7]   Volumes and hydration warmth of ions [J].
Born, M .
ZEITSCHRIFT FUR PHYSIK, 1920, 1 :45-48
[8]   Symmetry effects in electrostatic interactions between two arbitrarily charged spherical shells in the Debye-Huckel approximation [J].
Bozic, Anze Losdorfer ;
Podgornik, Rudolf .
JOURNAL OF CHEMICAL PHYSICS, 2013, 138 (07)
[9]   INTERACTION FREE-ENERGY BETWEEN IDENTICAL SPHERICAL COLLOIDAL PARTICLES - THE LINEARIZED POISSON-BOLTZMANN THEORY [J].
CARNIE, SL ;
CHAN, DYC .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 1993, 155 (02) :297-312
[10]  
Chan H.K., 2020, J. Electrost, V105, DOI DOI 10.1016/J.ELSTAT.2020.103435