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1983•Journal of the Chemical Society Faraday Transactions 2 Molecular and Chemical PhysicsRequires access

An improved modified Poisson–Boltzmann equation in electric-double-layer theory

C.W. Outhwaite, L. B. Bhuiyan

Open publisher page 220 citations

Abstract

A more accurate fluctuation potential problem is considered in the modified Poisson–Boltzmann theory. Numerical solutions of the resulting new equation are compared with those of the previous theory and 1 : 1, 1 : 2, 2 : 2 Monte Carlo calculations. The new modified Poisson–Boltzmann equation is found to be much more successful in predicting the Monte Carlo results, especially for the higher-valency electrolytes.

About this research paper

What this paper is about

A more accurate fluctuation potential problem is considered in the modified Poisson–Boltzmann theory. Numerical solutions of the resulting new equation are compared with those of the previous theory and 1 : 1, 1 : 2, 2 : 2 Monte Carlo calculations. The new modified Poisson–Boltzmann equation is found to be much more successful in predicting the Monte Carlo results, especially for the higher-valency electrolytes.

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OpenAlex reports 220 citations for this work. Citation counts describe recorded attention and do not establish research quality.

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Available abstract

A more accurate fluctuation potential problem is considered in the modified Poisson–Boltzmann theory. Numerical solutions of the resulting new equation are compared with those of the previous theory and 1 : 1, 1 : 2, 2 : 2 Monte Carlo calculations. The new modified Poisson–Boltzmann equation is found to be much more successful in predicting the Monte Carlo results, especially for the higher-valency electrolytes.

Key concepts: Poisson–Boltzmann equation, Valency, Direct simulation Monte Carlo, Monte Carlo method, Statistical physics, Poisson distribution, Poisson's equation, Boltzmann equation

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