Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry.

Forskningsoutput: TidskriftsbidragArtikel i vetenskaplig tidskriftPeer review

Sammanfattning

The static dielectric properties of Stockmayer fluids are investigated in the hyperspherical geometry, S(3). Different methods of obtaining the static dielectric constant ε(r) are compared. Tested methods include the evaluation of the Kirkwood factor, fluctuations of the total dipole moment, and a two-center potential correlation formula to obtain the dielectric constant through effective interactions. With no coupling to the "surrounding," the different methods give consistent estimates of the dielectric constant. Adding a coupling to the surrounding gives large size dependencies and the two-center potential correlation formula breaks down. For low dipole moments, there is a good agreement in the dielectric constant with previous studies.
Originalspråkengelska
Artikelnummer174105
TidskriftJournal of Chemical Physics
Volym133
Nummer17
DOI
StatusPublished - 2010

Bibliografisk information

The information about affiliations in this record was updated in December 2015.
The record was previously connected to the following departments: Theoretical Chemistry (S) (011001039)

Ämnesklassifikation (UKÄ)

  • Teoretisk kemi

Fingeravtryck

Utforska forskningsämnen för ”Simulations of high-dielectric Stockmayer fluids in hyperspherical geometry.”. Tillsammans bildar de ett unikt fingeravtryck.

Citera det här