Am. Walsh et Rd. Coalson, LATTICE FIELD-THEORY FOR SPHERICAL MACROIONS IN SOLUTION - CALCULATION OF EQUILIBRIUM PAIR CORRELATION-FUNCTIONS, The Journal of chemical physics, 100(2), 1994, pp. 1559-1566
A recently developed lattice field theory (LFT) formulation of the sta
tistical mechanics of a classical Coulomb gas interacting with a fixed
charge distribution [J. Chem. Phys. 97, 5653 (1992)] is utilized to c
ompute equilibrium pair correlation functions, g(r), of aqueous suspen
sions of charged spherical macroions (''polyballs''). These results ar
e compared to the predictions of the widely used Derjaguin et al. (DLV
O) theory. In, addition an effective pair potential for the colloid-co
lloid interaction is obtained by applying the LFT approach to a two-co
lloid system. This pair potential is then used in a many-colloid simul
ation to obtain g(r). Ah simulations are performed using the Metropoli
s Monte Carlo procedure together with the appropriate interpolyball po
tential function. Even in the regime in which a pair potential descrip
tion might be expected to be adequate, differences exist between the L
FT and pair potential results.