Symmetrical Poisson–Boltzmann and modified Poisson–Boltzmann theories

Outhwaite, C.W.; Molero, M.; Bhuiyan, L. B.

doi:10.1039/ft9918703227

Cited by 59 publications

(46 citation statements)

References 20 publications

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“…The SPB arose out of attempts to symmetrize the pair correlation function g st …r † appearing in the classical, standard PB theory with respect to the interchange of the indices s and t for asymmetric systems (Outhwaite 1978, 1987, Martinez et al 1990, Outhwaite et al 1991. We recall that in the traditional PB theory, g st …r † 6 g ts …r † for any asymmetry in size and/or charge in the system.…”

Section: Understanding Polyelectrolyte Solutionsmentioning

confidence: 99%

Understanding polyelectrolyte solutions: Macroion condensation with emphasis on the presence of neutral co-solutes

Bhuiyan¹,

Vlachy²,

Outhwaite³

2002

International Reviews in Physical Chemistry

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The multi-faceted applications of polyelectrolyte solution systems to a kaleidoscope of technological and biological processes make the understanding of these systems important and of interest. The highly relevant issue of instabilities that may occur in a polyelectrolyte solution and the ensuing macroion condensation constitute the premise of this review. An abundance of experimental and numerical simulation results in recent years provide evidence that a net electrostatic attractive force may exist between macroions and may lead to a phase separation. Speci®cally, in this review, three di erent types of instability involving macroions of spherical geometry are discussed. (i) The instability arising out of strong Coulomb correlations between counterions in the solution; this is most likely to occur in solutions containing multivalent counterions and/or in the presence of solvents of low relative permittivity. (ii) The instability caused by the macroion surface-charge¯uctuations; the resultant charge correlations may induce an e ective attraction between the weakly charged macroions. (iii) The instability due to the combined e ect of electrostatic and crowding interactions when an inert co-solute is added to the solution. A su cient increase in the concentration of the neutral species leads to a gradual change in the nature of the interaction between two macroions, from being repulsive to less repulsive and ultimately attractive. The structural features and thermodynamics in these complex systems are shaped by the collective and often competing e ects of the species.

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Section: Understanding Polyelectrolyte Solutionsmentioning

confidence: 99%

Understanding polyelectrolyte solutions: Macroion condensation with emphasis on the presence of neutral co-solutes

Bhuiyan¹,

Vlachy²,

Outhwaite³

2002

International Reviews in Physical Chemistry

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“…Nevertheless, a symmetric g ij will be given by equation (19) even if an estimate of φ(1,2;3) is found using either (24) or (27). It can be shown that [16] …”

Section: Modified Poisson-boltzmann Theoriesmentioning

confidence: 99%

“…This drawback stems from the unsymmetrical formulation of g ij in equations (16), (17). A symmetrical g ij can be derived by putting e i = 0 in equation (17) and e j = 0 in equation (16), substituting for ζ j,i , ζ i,j in equations (16) and (17) respectively, and then combining the results to give…”

Section: Poisson-boltzmann Theoriesmentioning

confidence: 99%

“…Neglecting the fluctuation potentials in equation (19) gives a symmetric mean field radial distribution function, and from equation (9) the corresponding set of symmetric PB (SPB) equations [16] The linear form of equation (20) can be solved for a single PM electrolyte, species p and q say, when ψ [17,18]. For r 2a qq , with a p a q ,…”

Section: Poisson-boltzmann Theoriesmentioning

confidence: 99%

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A modified Poisson-Boltzmann approach to homogeneous ionic solutions

Outhwaite¹

2004

Condens. Matter Phys.

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The mean electrostatic potential approach to ionic solutions was initiated by the mean field work of Gouy and Chapman for inhomogeneous systems, and Debye and Hückel for bulk solutions. Any successful extension of the mean field theories requires an adequate treatment of both the exclusion volume and fluctuation terms. One such development has been the modified Poisson-Boltzmann approach. Although the bulk modified PoissonBoltzmann theory was introduced 35 years ago, only a limited amount of work has been put into its development due to the successful application of liquid state theories to ionic systems. We outline here the bulk modified Poisson-Boltzmann equation, comment on some of its successes, and mention some outstanding problems.

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“…A formidable improvement is the modified PB theory, capable of treating electrolytes with asymmetry in both size and valency of simple ions. 14 However, more complex ions which in biological systems mediate interactions between macroions have an internal structure with spatially separated charges and possibly with additional internal degrees of freedom. 15,16 First studies were made with rod-like and spherical ions.…”

Section: Introductionmentioning

confidence: 99%

Electrolyte Solution at Zwitterionic Lipid Layer

Reščič

Bohinc

2015

ACSi

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Dedicated to prof. Jo`e Koller on the occasion of his 70 th birthday. AbstractA coarse-grained model of simple monovalent electrolyte solution in contact with a zwitterionic lipid layer in continuum solvent is studied by canonical Monte Carlo computer simulations and extended Poisson-Boltzmann theory. A structure of zwitterionic layer as well as concentration profiles of positively and negatively charged monovalent ions were obtained from simulations and compared to theoretical predictions. A relatively good agreement between the Monte Carlo computer simulations and theory was observed.

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Symmetrical Poisson–Boltzmann and modified Poisson–Boltzmann theories

Cited by 59 publications

References 20 publications

Understanding polyelectrolyte solutions: Macroion condensation with emphasis on the presence of neutral co-solutes

Understanding polyelectrolyte solutions: Macroion condensation with emphasis on the presence of neutral co-solutes

A modified Poisson-Boltzmann approach to homogeneous ionic solutions

Electrolyte Solution at Zwitterionic Lipid Layer

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