Fluid structure from diffraction experiments

✍ Scribed by Enci Zhong; Harold L. Friedman

• Publisher: Elsevier Science
• Year: 1988
• Tongue: English
• Weight: 305 KB
• Volume: 146
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(88)87481-5

✦ Synopsis

A novel method of computing the partial radial distribution function of a fluid from realistically incomplete and noisy diffraction data, supplemented by some known features of the fluid structure, is proposed and tested. With the singular value decomposition algorithm for matrix inversions, the new method seems to be very stable and effective.

The partial structure factor S,& k) , a direct source of information on the partial radial distribution function g&r) in a real fluid, can be determined over some range of k by measuring the scattering of radiation by the fluid [l-4]. Since the relation of g&r) to S&k), which is the subject of this report, does not depend on the particle species pair c@, we introduce the related functions with species indices suppressed: h(r)rg,,(r)-1,