Asymptotic behavior of orientation and angular-velocity correlation functions for a fluid of linear molecules

Asymptotic behavior of orientation and angular-velocity correlation functions for a fluid of linear molecules

Publication Type:

Journal Article

Authors:

Garisto, F.; Kapral, R.

Source:

Physical Review A, Volume 10, Number 1, p.309-318 (1974)

URL:

https://www.scopus.com/inward/record.uri?eid=2-s2.0-35949037024&doi=10.1103%2fPhysRevA.10.309&partnerID=40&md5=00b585af5c9f3b7ef98f11609d0f6eac

Abstract:

Expressions for the asymptotic behavior of the angular-velocity and orientation correlation functions for a fluid of linear molecules are derived by a microscopic calculation based on the generalized Langevin equation. The previously obtained t-52 decay of the angular-velocity autocorrelation function is confirmed, but a somewhat more general expression for the coefficient of this decay is obtained. The vector-orientation autocorrelation function, on the other hand, is found to decay as t-72 for long times. This result, which is based on a direct calculation of the correlation function, is in disagreement with hydrodynamic results which conjecture a t-52 decay. © 1974 The American Physical Society.