MODEL

HardSphere

AUTHOR/MODIFICATION

Steve Kline 06 NOV 1998

Alan Munter 04 NOV 1999, converted to Java

APPROVED FOR DISTRIBUTION

DESCRIPTION

Calculates the interparticle structure factor, S(*q*), for
monodisperse spherical particles interacting through hard sphere
(excluded volume) interations. The solution uses the Percus-Yevick
closure.

VARIABLES

Input Variables (default values):

Parameter | Variable | Value |
---|---|---|

0 | Radius (Å) | 50.0 |

1 | Volume Fraction (0-1) | 0.2 |

**USAGE** **NOTES**

The returned value is dimensionless.

The interaction potential is:

where r is the radial distance from the center of the sphere of radius R.

REFERENCE

Percus, J. K.; Yevick, G. *J. Phys. Rev*. **1958**, *110*,
1.

TEST DATASET

This example dataset is produced by calculating the HardSphere using
128 data points, *q*_{min} = 0.001 Å^{-1},
*q*_{max} = 0.3 (Å^{-1}) and the above default
parameter values.