[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 …
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 …
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 …
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
This work revisits the fundamentals of thermodynamic perturbation theory for fluid mixtures.
The choice of reference and governing assumptions can profoundly influence the accuracy …
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 …
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 …
partitioning in polymer systems. The recently published SAFT-γ Mie equation of state was …