[HTML][HTML] Accurate statistical associating fluid theory for chain molecules formed from Mie segments

T Lafitte, A Apostolakou, C Avendaño… - The Journal of …, 2013 - pubs.aip.org
A highly accurate equation of state (EOS) for chain molecules formed from spherical
segments interacting through Mie potentials (ie, a generalized Lennard-Jones form with …

The Entropy of van der Waals Fluid

Y Lei, X Wang, H Sun - ChemPhysChem, 2024 - Wiley Online Library
Thermodynamic state functions are fundamental quantities in many fields. In this work, the
van der Waals (vdW) equation of state and calculation formulas of state functions are …

Structure and thermodynamics of a short-range Lennard-Jones fluid reference

V Hordiichuk, J Škvára, A Trokhymchuk… - Journal of Molecular …, 2023 - Elsevier
As an attempt to develop a 'realistic', and yet theoretically tractable reference fluid for the
development of a perturbed molecular-base equation of state for non-associating fluids, a …

Choice of reference, influence of non-additivity, and present challenges in thermodynamic perturbation theory for mixtures

M Hammer, A Aasen, Å Ervik… - The Journal of Chemical …, 2020 - pubs.aip.org
This work revisits the fundamentals of thermodynamic perturbation theory for fluid mixtures.
The choice of reference and governing assumptions can profoundly influence the accuracy …

Solvation Gibbs Energy: The Equation of State Approach

C Panayiotou, E Voutsas, V Hatzimanikatis - 2021 - books.rsc.org
The unique properties of water make it essentially omnipresent in most of the chemical
processes that take place on Earth, including biological processes on the Earth's surface …

Theory and simulation of solubility and partitioning in polymers: Application of SAFT-γ Mie and molecular dynamics simulations

J Tasche - 2018 - etheses.dur.ac.uk
Theory, simulation and experiment were used in this work to study the solubility and
partitioning in polymer systems. The recently published SAFT-γ Mie equation of state was …