radial distribution function


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radial distribution function

[′rād·ē·əl ‚dis·trə′byü·shən ‚fəŋk·shən]
(mathematics)
A function F (r) equal to the average of a given function of the three coordinates over a sphere of radius r centered at the origin of the coordinate system.
(physical chemistry)
A function ρ(r) equal to the average over all directions of the number density of molecules at distance r from a given molecule in a liquid.
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References in periodicals archive ?
The radial distribution functions of Cu-O at different densities for all simulations times are plotted in Figure 2 (left y-axes), together with their integrals representing the coordination number (right y-axes).
The radial distribution functions of [Na.sup.+] and [Cl.sup.-] ions with their surrounding atoms within different distance ranges are given in Fig.
The model shown in equation (2) takes into account the three-body repulsion between monomers that makes up the polymer chains (through the third virial coefficient, [omega]), and radial distribution functions obtained through computer simulations using this model (22) have demonstrated that it can lead to colloidal stability, that is repulsion between polymer-coated colloids.
It can be obtained from the colloids' radial distribution functions, g(r), through the relation (15,23):
We shall use equation (6) to obtain the PMF for the ZBP model, using the radial distribution functions calculated in reference (22), and compare with the models shown in equations (4) and (5).
A pool of descriptors was calculated by Dragon software for each molecule including parameters of all types such as constitutional, topological, geometrical, GETAWAY, WHIM, 3D-MoRSE, Molecular Walk Counts, BCUT descriptors, 2D autocorrelations, aromaticity indices, randic molecular profiles, radial distribution functions, functional groups, atom-centered fragments, empirical and properties [42].
The resultant snapshots of the particle configuration and the corresponding radial distribution function are shown in Figure 6.
NOMENCLATURE 2-D two-dimensional A particle area fraction d diameter of particles g(r) radial distribution function [J.sub.0] (x) first kind of Bessel function k Boltzmann constant l cell length n number of particles T temperature u potential of interaction [u.sub.dipole] dipole-dipole interaction [u.sub.coulomb] Coulomb interaction w(r) potential of mean force y distance coordinate Ze particle charge Greek Symbols [epsilon] dielectric constant [[epsilon].sub.w] dielectric electric constant for water [[epsilon].sub.n] dielectric electric constant for non-polar fluid [[kappa].sup.-1] Debye screening length