Monte Carlo simulations of oppositely charged macroions in solution

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Monte Carlo simulations of oppositely charged macroions in solution. / Rydén, Jens; Ullner, Magnus; Linse, Per.

In: Journal of Chemical Physics, Vol. 123, No. 3, 2005, p. 034909-1-034909-13.

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Rydén, Jens ; Ullner, Magnus ; Linse, Per. / Monte Carlo simulations of oppositely charged macroions in solution. In: Journal of Chemical Physics. 2005 ; Vol. 123, No. 3. pp. 034909-1-034909-13.

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TY - JOUR

T1 - Monte Carlo simulations of oppositely charged macroions in solution

AU - Rydén, Jens

AU - Ullner, Magnus

AU - Linse, Per

PY - 2005

Y1 - 2005

N2 - 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.

AB - 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.

U2 - 10.1063/1.1949191

DO - 10.1063/1.1949191

M3 - Article

VL - 123

SP - 034909-1-034909-13

JO - Journal of Chemical Physics

T2 - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 3

ER -