Monte Carlo simulations of oppositely charged macroions in solution

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Abstract

The structure and phase behavior of oppositely charged macroions in solution have been studied with Monte Carlo simulations using the primitive model where the macroions and small ions are described as charged hard spheres. Size and charge symmetric, size asymmetric, and charge asymmetric macroions at different electrostatic coupling strengths are considered, and the properties of the solutions have been examined using cluster size distribution functions, structure factors, and radial distribution functions. At increasing electrostatic coupling, the macroions form clusters and eventually the system displays a phase instability, in analogy to that of simple electrolyte solutions. The relation to the similar cluster formation and phase instability occurring in solutions containing oppositely charged polymers is also discussed. (c) 2005 American Institute of Physics.

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  • Physical Chemistry
Original languageEnglish
Pages (from-to)034909-1-034909-13
JournalJournal of Chemical Physics
Volume123
Issue number3
Publication statusPublished - 2005
Publication categoryResearch
Peer-reviewedYes