Molecular multivalent electrolytes: microstructure and screening lengths.
We study small rod-like molecular electrolytes solutions with their corresponding atomic counterions. The asymptotic length scales (decay length and wavelength) of the structural correlations are analyzed using the formalism of the dressed interaction site theory (DIST). The correlation functions are determined using the reference interaction site model equation complemented with a mixed approach in which the hypernetted-chain closure is used for the repulsive interactions, and the mean spherical approximation is used for the attractive interactions. The results from this scheme are in good agreement with the Monte Carlo computer simulations reported here. The asymptotic properties of the correlation functions of this molecular system are compared against those corresponding to two related simple (atomic) electrolyte models. The main conclusion is that the molecular structure of the ions lowers by two orders of magnitude the concentration at which the transition from monotonic to oscillatory decay occurs.
González-Mozuelos
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Departamento de Física, Centro de Investigación y de Estudios Avanzados del IPN, A.P. 14-740, 07000 México D.F., Mexico.
Yeom
M S
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Olvera de la Cruz
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D004573:Electrolytes / Q000737:chemistry*; D008956:Models, Chemical; D008958:Models, Molecular; D009010:Monte Carlo Method; D012996:Solutions / Q000737:chemistry
D004573:Electrolytes; D012996:Solutions
Biophys J. 1998 Jan;74(1):381-93
9449338
Phys Rev Lett. 2002 May 6;88(18):185701
12005698
J Chem Phys. 2004 Apr 15;120(15):7212-22
15267629
Phys Rev Lett. 2002 Mar 4;88(9):095504
11864025
Phys Rev Lett. 2000 Nov 20;85(21):4558-61
11082595
Phys Rev Lett. 2002 Jan 28;88(4):045701
11801139
Biophys J. 2000 Feb;78(2):699-706
10653783