Analysis of the bulk and surface-induced structure of electrolyte solutions using intergral equation theories
type: Item
instance of: scholarly article
title: Analysis of the bulk and surface-induced structure of electrolyte solutions using intergral equation theories
zbMATH Open document ID: 0852.76065
author: Yanyan Li
published in: Journal of Computational Physics
publication date: 1996-07-02T00:00:00Z
review text: We have developed robust and efficient numerical methods for solving integral equations describing electrolyte solutions. These methods are hybrids of Newton-Raphson and Picard iterations and have been obtained as extended versions of the previous methods for pure solvents by solving nontrivial problems posed by the inclusion of ions. A discussion of some special treatments that need to be considered for asymmetric anions and cations is included. These methods have been demonstrated using the full reference hypernetted-chain theory for various sizes of ions in a wide range of ionic concentrations.
Mathematics Subject Classification ID: 76M25
Mathematics Subject Classification ID: 76W05
Mathematics Subject Classification ID: 65R20
zbMATH DE Number: 881883
zbMATH Keywords: multicomponent fluid
zbMATH Keywords: Jacobian
zbMATH Keywords: hybrids of Newton-Raphson and Picard iterations
zbMATH Keywords: hypernetted-chain theory
MaRDI profile type: Publication
full work available at URL: jcph.1996.0055
OpenAlex ID: W2061197756
DOI: 10.1006/JCPH.1996.0055
description: scientific article; zbMATH DE number 881883