Models and parameters for real fluids in the SAFT-VR framework based on the Lennard-Jonesium and square well intermolecular potentials

Autor: Apostolakou, Anastasia
Rok vydání: 2008
Předmět:
Druh dokumentu: Electronic Thesis or Dissertation
Popis: The Equations of State (EoSs) ranging from cubic equations to theoretically-based molecular models are of great practical application in the modeling of physical properties of real fluids In particular, the molecular EoSs based on statistical mechanics and supported by molecular simulations are of special interest due to their ability to represent the fluid properties using only a few substance-dependent parameters with physical meaning, in principle, statistical mechanics provide theories for calculating the thermodynamics and structure of a fluid given its Intermolecular potential function. The focus in this study is on Perturbation theories for chain molecules whose reference system constitutes non-bonded segments.
Databáze: Networked Digital Library of Theses & Dissertations