Thermodynamic modeling of ionic liquid systems: development and detailed overview of novel methodology based on the PC-SAFT

K Paduszynski, U Domanska - The Journal of Physical Chemistry …, 2012 - ACS Publications
We present the results of an extensive study on a novel approach of modeling ionic liquids
(ILs) and their mixtures with molecular compounds, incorporating perturbed-chain statistical …

Modeling phase equilibria for acid gas mixtures using the CPA equation of state. Part II: Binary mixtures with CO2

I Tsivintzelis, GM Kontogeorgis, ML Michelsen… - Fluid Phase …, 2011 - Elsevier
In Part I of this series of articles, the study of H2S mixtures has been presented with CPA. In
this study the phase behavior of CO2 containing mixtures is modeled. Binary mixtures with …

Modeling water containing systems with the simplified PC-SAFT and CPA equations of state

X Liang, I Tsivintzelis… - Industrial & Engineering …, 2014 - ACS Publications
Numerous studies have been presented for modeling of water containing systems with the
perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state (EOS), and …

SAFT associating fluids and fluid mixtures

C McCabe, A Galindo - 2010 - books.rsc.org
While we could argue that the goals of modelling fluid phase equilibria have not changed
greatly since the time of van der Waals, there is little doubt that the systems of interest have …

Evaluation of the PC-SAFT, SAFT and CPA equations of state in predicting derivative properties of selected non-polar and hydrogen-bonding compounds

AJ De Villiers, CE Schwarz, AJ Burger… - Fluid Phase …, 2013 - Elsevier
In order to provide a comprehensive understanding of the potential and limitations of the PC-
SAFT, SAFT and CPA equations-of-state, this study offers insight into their application for the …

Review and new insights into the application of molecular-based equations of state to water and aqueous solutions

LF Vega, F Llovell - Fluid Phase Equilibria, 2016 - Elsevier
Water is a fascinating compound, essential to our life and present in most of the biological
and industrial systems. In spite of its importance, the particular features of water and the …

Evaluation of the CO2 behavior in binary mixtures with alkanes, alcohols, acids and esters using the Cubic-Plus-Association Equation of State

MB Oliveira, AJ Queimada, GM Kontogeorgis… - The Journal of …, 2011 - Elsevier
Knowledge regarding the high pressure phase behavior of CO2 mixtures is of primary
importance for designing, operating and optimizing many industrial processes, such as …

[HTML][HTML] Evaluation of infrared spectroscopic methods for the study of structural properties of liquid alcohols

E Drougkas, M Bache, X Liang, N von Solms… - Journal of Molecular …, 2023 - Elsevier
This work aims to evaluate the infrared spectroscopic methods for the study of the structural
properties of liquid alcohols–specifically how many alcohol molecules and how many …

Understanding the thermodynamics of hydrogen bonding in alcohol-containing mixtures: cross-association

WA Fouad, L Wang, A Haghmoradi… - The Journal of …, 2016 - ACS Publications
The thermodynamics of hydrogen bonding in 1-alcohol+ water binary mixtures is studied
using molecular dynamic (MD) simulation and the polar and perturbed chain form of the …

SAFT-VR Mie: Application to Phase Equilibria of Alcohols in Mixtures with n-Alkanes and Water

JT Cripwell, SAM Smith, CE Schwarz… - Industrial & …, 2018 - ACS Publications
This work expands the scope of the SAFT-VR Mie framework by considering its application
and that of its polar variant (SAFT-VR Mie-GV) to real phase behavior in alcohol/n-alkane …