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 …
(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 …
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 …
perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state (EOS), and …
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 …
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
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 …
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 …
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 …
properties of liquid alcohols–specifically how many alcohol molecules and how many …
Understanding the thermodynamics of hydrogen bonding in alcohol-containing mixtures: cross-association
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 …
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
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 …
and that of its polar variant (SAFT-VR Mie-GV) to real phase behavior in alcohol/n-alkane …