Use this URL to cite or link to this record in EThOS: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.704606
Title: Molecular dynamic calculations of the effect of polarity on the properties of liquids consisting of small linear molecules
Author: Carter, Keith F.
Awarding Body: University of London
Current Institution: Royal Holloway, University of London
Date of Award: 1983
Availability of Full Text:
Access from EThOS:
Access from Institution:
Abstract:
The effects of quadrupolar interactions on the thermodynamics, statics and dynamics of linear molecules consisting of two Lennard-Jones centres is studied for the liquid phase. This is illustrated by using nitrogen, chlorine and carbon dioxide molecules as representative of the differing bond lengths that can arise in these systems. The changes due to the magnitude of the quadrupole moment are investigated for the chlorine system. Calculations of the structure of two-Lennard-Jones centre fluids is also carried out using the RISM method.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID: uk.bl.ethos.704606  DOI: Not available
Keywords: Molecular Physics
Share: